#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/4/4300950.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4300950
_journal_name_full  'Inorganic Chemistry'
_journal_year      2005
_chemical_formula_sum  'C39 H36 Dy N3 O12 P3'
_chemical_formula_weight  994.12
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, -z'
_cell_length_a  14.284(12)
_cell_length_b  14.768(12)
_cell_length_c  19.818(11)
_cell_angle_alpha  96.74(6)
_cell_angle_beta  94.47(6)
_cell_angle_gamma  106.69(7)
_cell_volume  3949(5)
_cell_formula_units_Z  4
_cell_measurement_temperature  120(2)
_exptl_crystal_density_diffrn  1.672
_diffrn_ambient_temperature  120(2)
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy -0.011552(16) 1.319059(15) 0.736820(12) 0.01321(7) Uani 1 1 d . . .
Dy2 Dy -0.410049(16) 1.719149(15) 0.748035(12) 0.01307(7) Uani 1 1 d . . .
P2 P 0.16272(9) 1.56132(8) 0.74375(7) 0.0137(3) Uani 1 1 d . . .
P3 P -0.15116(9) 1.07240(8) 0.65978(7) 0.0145(3) Uani 1 1 d . . .
P5 P -0.31952(10) 1.97263(9) 0.82726(7) 0.0178(3) Uani 1 1 d . . .
P4 P -0.56441(9) 1.47977(9) 0.77044(7) 0.0155(3) Uani 1 1 d . . .
P1 P -0.23699(9) 1.39235(9) 0.69534(7) 0.0156(3) Uani 1 1 d . . .
P6 P -0.16853(9) 1.68429(9) 0.80007(7) 0.0162(3) Uani 1 1 d . . .
O21 O -0.0040(3) 1.3375(2) 0.61648(19) 0.0207(8) Uani 1 1 d . . .
O63 O -0.2517(4) 1.6925(3) 0.5882(3) 0.0519(14) Uani 1 1 d . . .
O13 O -0.1596(3) 1.3485(3) 0.9010(2) 0.0409(11) Uani 1 1 d . . .
O41 O -0.4347(3) 1.7164(2) 0.8703(2) 0.0237(8) Uani 1 1 d . . .
O22 O 0.1173(3) 1.3042(2) 0.66658(19) 0.0207(8) Uani 1 1 d . . .
O42 O -0.5518(3) 1.7318(2) 0.8035(2) 0.0221(8) Uani 1 1 d . . .
O4 O -0.4876(2) 1.5634(2) 0.75306(17) 0.0147(7) Uani 1 1 d . . .
O43 O -0.5645(4) 1.7400(3) 0.9105(2) 0.0419(12) Uani 1 1 d . . .
O2 O 0.0835(2) 1.4707(2) 0.74288(18) 0.0159(7) Uani 1 1 d . . .
O6 O -0.2686(3) 1.6971(3) 0.79233(19) 0.0203(8) Uani 1 1 d . . .
O23 O 0.1195(4) 1.3325(4) 0.5618(2) 0.0452(12) Uani 1 1 d . . .
O1 O -0.1385(2) 1.3769(2) 0.70635(18) 0.0178(7) Uani 1 1 d . . .
O32 O 0.1361(3) 1.3289(3) 0.8166(2) 0.0244(8) Uani 1 1 d . . .
O12 O -0.1290(3) 1.2616(2) 0.8155(2) 0.0279(9) Uani 1 1 d . . .
O11 O -0.0364(3) 1.4042(3) 0.84489(19) 0.0248(8) Uani 1 1 d . . .
C4 C -0.6764(4) 1.5061(4) 0.7876(3) 0.0195(11) Uani 1 1 d . . .
H4A H -0.7243 1.4476 0.7979 0.023 Uiso 1 1 calc R . .
H4B H -0.6623 1.5551 0.8287 0.023 Uiso 1 1 calc R . .
C1I C -0.2248(4) 2.0045(4) 0.8973(3) 0.0222(11) Uani 1 1 d . . .
O62 O -0.3554(3) 1.6280(3) 0.6556(2) 0.0297(9) Uani 1 1 d . . .
O5 O -0.3435(3) 1.8699(2) 0.80195(19) 0.0217(8) Uani 1 1 d . . .
O52 O -0.4762(3) 1.8295(3) 0.6878(2) 0.0390(11) Uani 1 1 d . . .
N50 N -0.5347(3) 1.7632(4) 0.6477(3) 0.0312(12) Uani 1 1 d . . .
O31 O 0.0405(3) 1.1896(3) 0.7830(2) 0.0348(10) Uani 1 1 d . . .
C1D C 0.1782(4) 1.6321(4) 0.8250(3) 0.0182(11) Uani 1 1 d . . .
O33 O 0.1784(3) 1.2079(3) 0.8445(2) 0.0379(11) Uani 1 1 d . . .
C3K C -0.0529(4) 1.6075(4) 0.9693(3) 0.0312(14) Uani 1 1 d . . .
H3KA H -0.0033 1.5793 0.9817 0.037 Uiso 1 1 calc R . .
N10 N -0.1093(3) 1.3380(3) 0.8561(2) 0.0192(9) Uani 1 1 d . . .
C6D C 0.1788(4) 1.5855(4) 0.8812(3) 0.0221(11) Uani 1 1 d . . .
H6DA H 0.1696 1.5186 0.8748 0.027 Uiso 1 1 calc R . .
C1F C -0.0687(4) 1.0147(3) 0.6237(3) 0.0163(10) Uani 1 1 d . . .
C6H C -0.5838(4) 1.3738(4) 0.8791(3) 0.0325(14) Uani 1 1 d . . .
H6HA H -0.6511 1.3461 0.8615 0.039 Uiso 1 1 calc R . .
C5A C -0.4687(5) 1.1542(5) 0.6766(5) 0.049(2) Uani 1 1 d . . .
H5AA H -0.5058 1.1059 0.6407 0.059 Uiso 1 1 calc R . .
O53 O -0.5820(4) 1.7837(5) 0.5993(4) 0.078(2) Uani 1 1 d . . .
C6F C 0.0265(4) 1.0684(4) 0.6173(3) 0.0216(11) Uani 1 1 d . . .
H6FA H 0.0500 1.1340 0.6364 0.026 Uiso 1 1 calc R . .
C3B C -0.2148(4) 1.4356(4) 0.5005(3) 0.0287(13) Uani 1 1 d . . .
H3BA H -0.1662 1.4416 0.4699 0.034 Uiso 1 1 calc R . .
C5E C -0.3141(4) 1.1315(5) 0.5083(3) 0.0322(14) Uani 1 1 d . . .
H5EA H -0.3150 1.1869 0.4886 0.039 Uiso 1 1 calc R . .
C1G C -0.5994(4) 1.3870(4) 0.7001(3) 0.0214(12) Uani 1 1 d . . .
C6B C -0.3544(4) 1.4226(4) 0.5901(3) 0.0279(13) Uani 1 1 d . . .
H6BA H -0.4020 1.4195 0.6214 0.033 Uiso 1 1 calc R . .
C3 C -0.1997(4) 1.0097(3) 0.7271(3) 0.0183(11) Uani 1 1 d . . .
H3A H -0.2266 0.9409 0.7087 0.022 Uiso 1 1 calc R . .
H3B H -0.1448 1.0167 0.7629 0.022 Uiso 1 1 calc R . .
C2 C 0.2780(4) 1.5414(3) 0.7290(3) 0.0175(10) Uani 1 1 d . . .
H2A H 0.2678 1.4941 0.6873 0.021 Uiso 1 1 calc R . .
H2B H 0.3245 1.6020 0.7205 0.021 Uiso 1 1 calc R . .
C5B C -0.3748(5) 1.4389(5) 0.5251(3) 0.0386(16) Uani 1 1 d . . .
H5BA H -0.4372 1.4455 0.5109 0.046 Uiso 1 1 calc R . .
N30 N 0.1199(3) 1.2422(3) 0.8157(2) 0.0238(10) Uani 1 1 d . . .
C5K C -0.1818(4) 1.6708(4) 0.9997(3) 0.0314(13) Uani 1 1 d . . .
H5KA H -0.2202 1.6874 1.0333 0.038 Uiso 1 1 calc R . .
C1K C -0.1427(4) 1.6628(3) 0.8846(3) 0.0175(10) Uani 1 1 d . . .
C6C C 0.0431(4) 1.5830(4) 0.6376(3) 0.0194(11) Uani 1 1 d . . .
H6CA H -0.0018 1.5263 0.6477 0.023 Uiso 1 1 calc R . .
C2I C -0.1487(5) 2.0887(4) 0.9066(3) 0.0297(13) Uani 1 1 d . . .
H2IA H -0.1430 2.1312 0.8736 0.036 Uiso 1 1 calc R . .
C3C C 0.1726(5) 1.7480(4) 0.6087(3) 0.0297(13) Uani 1 1 d . . .
H3CA H 0.2163 1.8056 0.5991 0.036 Uiso 1 1 calc R . .
C5D C 0.1922(4) 1.6335(4) 0.9455(3) 0.0273(12) Uani 1 1 d . . .
H5DA H 0.1945 1.6010 0.9839 0.033 Uiso 1 1 calc R . .
C1C C 0.1332(4) 1.6228(3) 0.6774(3) 0.0174(10) Uani 1 1 d . . .
C1H C -0.5228(4) 1.4412(4) 0.8455(3) 0.0222(11) Uani 1 1 d . . .
C3I C -0.0815(5) 2.1106(5) 0.9636(4) 0.0387(16) Uani 1 1 d . . .
H3IA H -0.0290 2.1686 0.9705 0.046 Uiso 1 1 calc R . .
C2E C -0.3164(4) 0.9711(4) 0.5695(3) 0.0293(13) Uani 1 1 d . . .
H2EA H -0.3182 0.9167 0.5912 0.035 Uiso 1 1 calc R . .
C1J C -0.4221(4) 2.0023(4) 0.8602(3) 0.0249(12) Uani 1 1 d . . .
C5 C -0.2796(4) 2.0410(4) 0.7605(3) 0.0203(11) Uani 1 1 d . . .
H5A H -0.3361 2.0326 0.7257 0.024 Uiso 1 1 calc R . .
H5B H -0.2539 2.1097 0.7797 0.024 Uiso 1 1 calc R . .
C6A C -0.3921(4) 1.2290(4) 0.6619(4) 0.0319(14) Uani 1 1 d . . .
H6AA H -0.3778 1.2327 0.6161 0.038 Uiso 1 1 calc R . .
C5C C 0.0187(4) 1.6260(4) 0.5832(3) 0.0264(12) Uani 1 1 d . . .
H5CA H -0.0431 1.5990 0.5560 0.032 Uiso 1 1 calc R . .
C5I C -0.1652(5) 1.9646(5) 1.0016(3) 0.0382(15) Uani 1 1 d . . .
H5IA H -0.1701 1.9219 1.0344 0.046 Uiso 1 1 calc R . .
C4F C 0.0535(4) 0.9316(4) 0.5553(3) 0.0282(13) Uani 1 1 d . . .
H4FA H 0.0949 0.9031 0.5308 0.034 Uiso 1 1 calc R . .
C6I C -0.2326(4) 1.9426(4) 0.9450(3) 0.0297(13) Uani 1 1 d . . .
H6IA H -0.2850 1.8846 0.9384 0.036 Uiso 1 1 calc R . .
C2A C -0.3586(5) 1.2909(5) 0.7801(4) 0.0359(15) Uani 1 1 d . . .
H2AA H -0.3200 1.3372 0.8167 0.043 Uiso 1 1 calc R . .
C1E C -0.2476(4) 1.0580(4) 0.5934(3) 0.0186(11) Uani 1 1 d . . .
C6 C -0.1603(4) 1.5848(4) 0.7424(3) 0.0218(11) Uani 1 1 d . . .
H6A H -0.1665 1.5983 0.6948 0.026 Uiso 1 1 calc R . .
H6B H -0.0954 1.5747 0.7523 0.026 Uiso 1 1 calc R . .
C4D C 0.2024(5) 1.7302(5) 0.9546(3) 0.0343(15) Uani 1 1 d . . .
H4DA H 0.2112 1.7644 0.9995 0.041 Uiso 1 1 calc R . .
C4A C -0.4907(5) 1.1491(6) 0.7399(5) 0.055(2) Uani 1 1 d . . .
H4AA H -0.5445 1.0983 0.7484 0.067 Uiso 1 1 calc R . .
C1A C -0.3374(4) 1.2974(4) 0.7143(3) 0.0232(12) Uani 1 1 d . . .
C6E C -0.2463(4) 1.1374(4) 0.5631(3) 0.0240(12) Uani 1 1 d . . .
H6EA H -0.1983 1.1968 0.5802 0.029 Uiso 1 1 calc R . .
C2B C -0.1952(4) 1.4170(4) 0.5650(3) 0.0223(11) Uani 1 1 d . . .
H2BA H -0.1336 1.4084 0.5788 0.027 Uiso 1 1 calc R . .
C2H C -0.4260(4) 1.4830(4) 0.8731(3) 0.0222(11) Uani 1 1 d . . .
H2HA H -0.3839 1.5307 0.8517 0.027 Uiso 1 1 calc R . .
C3L C 0.0016(4) 1.9565(4) 0.8179(3) 0.0270(12) Uani 1 1 d . . .
H3LA H 0.0056 2.0146 0.8459 0.032 Uiso 1 1 calc R . .
C3A C -0.4373(5) 1.2158(6) 0.7934(5) 0.052(2) Uani 1 1 d . . .
H3AA H -0.4533 1.2111 0.8388 0.062 Uiso 1 1 calc R . .
C1L C -0.0756(4) 1.7880(4) 0.7861(3) 0.0186(11) Uani 1 1 d . . .
C4K C -0.1081(4) 1.6317(4) 1.0175(3) 0.0310(14) Uani 1 1 d . . .
H4KA H -0.0959 1.6217 1.0634 0.037 Uiso 1 1 calc R . .
C4B C -0.3054(5) 1.4458(5) 0.4796(3) 0.0349(14) Uani 1 1 d . . .
H4BA H -0.3198 1.4575 0.4344 0.042 Uiso 1 1 calc R . .
C4L C 0.0651(4) 1.9561(4) 0.7694(3) 0.0246(12) Uani 1 1 d . . .
H4LA H 0.1136 2.0135 0.7642 0.030 Uiso 1 1 calc R . .
C1B C -0.2647(4) 1.4107(3) 0.6103(3) 0.0176(10) Uani 1 1 d . . .
C6L C -0.0118(5) 1.7887(4) 0.7370(3) 0.0318(14) Uani 1 1 d . . .
H6LA H -0.0158 1.7310 0.7086 0.038 Uiso 1 1 calc R . .
N20 N 0.0798(3) 1.3249(3) 0.6134(2) 0.0212(10) Uani 1 1 d . . .
O3 O -0.1038(3) 1.1761(2) 0.68301(19) 0.0200(8) Uani 1 1 d . . .
O61 O -0.3048(3) 1.7790(2) 0.66230(19) 0.0237(8) Uani 1 1 d . . .
O51 O -0.5366(3) 1.6821(3) 0.6519(2) 0.0415(11) Uani 1 1 d . . .
N40 N -0.5174(3) 1.7301(3) 0.8633(2) 0.0225(10) Uani 1 1 d . . .
N60 N -0.3035(3) 1.6998(3) 0.6329(2) 0.0256(10) Uani 1 1 d . . .
C1 C -0.2406(4) 1.4962(4) 0.7500(3) 0.0191(11) Uani 1 1 d . . .
H1A H -0.3051 1.5070 0.7397 0.023 Uiso 1 1 calc R . .
H1B H -0.2349 1.4846 0.7981 0.023 Uiso 1 1 calc R . .
C2K C -0.0684(4) 1.6235(4) 0.9033(3) 0.0262(12) Uani 1 1 d . . .
H2KA H -0.0286 1.6078 0.8703 0.031 Uiso 1 1 calc R . .
C6K C -0.1996(4) 1.6859(4) 0.9337(3) 0.0246(12) Uani 1 1 d . . .
H6KA H -0.2509 1.7121 0.9215 0.030 Uiso 1 1 calc R . .
C2D C 0.1877(4) 1.7279(4) 0.8339(3) 0.0271(13) Uani 1 1 d . . .
H2DA H 0.1858 1.7604 0.7954 0.032 Uiso 1 1 calc R . .
C2G C -0.5933(4) 1.4131(4) 0.6360(3) 0.0254(12) Uani 1 1 d . . .
H2GA H -0.5626 1.4779 0.6312 0.031 Uiso 1 1 calc R . .
C3H C -0.3902(5) 1.4558(5) 0.9314(3) 0.0333(14) Uani 1 1 d . . .
H3HA H -0.3233 1.4841 0.9499 0.040 Uiso 1 1 calc R . .
C4C C 0.0840(5) 1.7077(4) 0.5688(3) 0.0290(13) Uani 1 1 d . . .
H4CA H 0.0678 1.7365 0.5309 0.035 Uiso 1 1 calc R . .
C2C C 0.1986(4) 1.7062(4) 0.6625(3) 0.0226(11) Uani 1 1 d . . .
H2CA H 0.2606 1.7338 0.6894 0.027 Uiso 1 1 calc R . .
C2L C -0.0680(4) 1.8731(4) 0.8262(3) 0.0250(12) Uani 1 1 d . . .
H2LA H -0.1112 1.8743 0.8601 0.030 Uiso 1 1 calc R . .
C3D C 0.2000(5) 1.7763(4) 0.8993(4) 0.0401(17) Uani 1 1 d . . .
H3DA H 0.2069 1.8428 0.9058 0.048 Uiso 1 1 calc R . .
C3F C -0.0408(4) 0.8778(4) 0.5631(3) 0.0291(13) Uani 1 1 d . . .
H3FA H -0.0636 0.8120 0.5445 0.035 Uiso 1 1 calc R . .
C3E C -0.3825(5) 0.9647(5) 0.5135(4) 0.0407(17) Uani 1 1 d . . .
H3EA H -0.4301 0.9053 0.4958 0.049 Uiso 1 1 calc R . .
C2J C -0.5159(4) 1.9558(4) 0.8282(4) 0.0355(15) Uani 1 1 d . . .
H2JA H -0.5259 1.9103 0.7883 0.043 Uiso 1 1 calc R . .
C2F C -0.1016(4) 0.9193(4) 0.5976(3) 0.0231(12) Uani 1 1 d . . .
H2FA H -0.1660 0.8820 0.6033 0.028 Uiso 1 1 calc R . .
C5F C 0.0869(4) 1.0259(4) 0.5831(3) 0.0253(12) Uani 1 1 d . . .
H5FA H 0.1522 1.0624 0.5787 0.030 Uiso 1 1 calc R . .
C3G C -0.6312(5) 1.3463(5) 0.5786(3) 0.0362(15) Uani 1 1 d . . .
H3GA H -0.6283 1.3648 0.5343 0.043 Uiso 1 1 calc R . .
C4G C -0.6733(5) 1.2525(5) 0.5861(4) 0.0418(17) Uani 1 1 d . . .
H4GA H -0.6991 1.2057 0.5469 0.050 Uiso 1 1 calc R . .
C5L C 0.0581(5) 1.8729(4) 0.7288(4) 0.0371(15) Uani 1 1 d . . .
H5LA H 0.1013 1.8723 0.6947 0.044 Uiso 1 1 calc R . .
C5H C -0.5483(5) 1.3471(5) 0.9368(4) 0.0451(18) Uani 1 1 d . . .
H5HA H -0.5907 1.3005 0.9588 0.054 Uiso 1 1 calc R . .
C6G C -0.6416(5) 1.2922(4) 0.7074(4) 0.0361(15) Uani 1 1 d . . .
H6GA H -0.6452 1.2733 0.7516 0.043 Uiso 1 1 calc R . .
C5G C -0.6780(5) 1.2264(4) 0.6501(4) 0.049(2) Uani 1 1 d . . .
H5GA H -0.7071 1.1613 0.6547 0.059 Uiso 1 1 calc R . .
C4E C -0.3794(5) 1.0457(5) 0.4828(3) 0.0422(17) Uani 1 1 d . . .
H4EA H -0.4239 1.0404 0.4433 0.051 Uiso 1 1 calc R . .
C6J C -0.4090(5) 2.0683(5) 0.9177(3) 0.0350(14) Uani 1 1 d . . .
H6JA H -0.3447 2.1002 0.9402 0.042 Uiso 1 1 calc R . .
C4I C -0.0901(5) 2.0488(5) 1.0108(3) 0.0418(16) Uani 1 1 d . . .
H4IA H -0.0434 2.0646 1.0504 0.050 Uiso 1 1 calc R . .
C4H C -0.4517(5) 1.3871(5) 0.9631(4) 0.0430(17) Uani 1 1 d . . .
H4HA H -0.4268 1.3678 1.0031 0.052 Uiso 1 1 calc R . .
C5J C -0.4902(7) 2.0883(6) 0.9430(4) 0.050(2) Uani 1 1 d . . .
H5JA H -0.4812 2.1344 0.9825 0.059 Uiso 1 1 calc R . .
C4J C -0.5812(7) 2.0426(6) 0.9116(5) 0.057(2) Uani 1 1 d . . .
H4JA H -0.6363 2.0567 0.9290 0.068 Uiso 1 1 calc R . .
C3J C -0.5950(5) 1.9761(5) 0.8549(5) 0.052(2) Uani 1 1 d . . .
H3JA H -0.6598 1.9434 0.8337 0.062 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Dy1 0.01043(12) 0.00932(11) 0.01822(13) 0.00128(8) 0.00135(9) 0.00073(8)
Dy2 0.01002(12) 0.01037(11) 0.01774(13) 0.00314(8) 0.00078(9) 0.00116(8)
P2 0.0096(6) 0.0099(6) 0.0204(7) 0.0014(5) 0.0032(5) 0.0009(5)
P3 0.0129(6) 0.0104(6) 0.0176(7) 0.0005(5) 0.0008(5) 0.0002(5)
P5 0.0201(7) 0.0111(6) 0.0212(7) 0.0017(5) 0.0072(5) 0.0019(5)
P4 0.0101(6) 0.0108(6) 0.0249(7) 0.0043(5) 0.0032(5) 0.0012(5)
P1 0.0116(6) 0.0154(6) 0.0196(7) -0.0001(5) 0.0011(5) 0.0047(5)
P6 0.0131(6) 0.0172(6) 0.0180(7) -0.0008(5) -0.0015(5) 0.0064(5)
O21 0.0140(18) 0.0214(18) 0.026(2) 0.0016(15) 0.0041(15) 0.0049(14)
O63 0.062(3) 0.037(3) 0.044(3) -0.008(2) 0.034(3) -0.006(2)
O13 0.036(3) 0.055(3) 0.026(2) -0.002(2) 0.016(2) 0.004(2)
O41 0.027(2) 0.0155(18) 0.028(2) 0.0045(15) 0.0004(16) 0.0062(15)
O22 0.0206(19) 0.0199(18) 0.023(2) 0.0048(15) 0.0052(15) 0.0072(15)
O42 0.021(2) 0.0185(18) 0.028(2) 0.0033(15) 0.0068(16) 0.0066(15)
O4 0.0137(17) 0.0123(16) 0.0170(18) 0.0019(13) 0.0031(14) 0.0016(13)
O43 0.056(3) 0.048(3) 0.035(3) 0.013(2) 0.030(2) 0.027(2)
O2 0.0125(17) 0.0102(16) 0.0233(19) 0.0021(13) 0.0028(14) 0.0006(13)
O6 0.0131(18) 0.027(2) 0.023(2) 0.0041(15) 0.0004(14) 0.0093(15)
O23 0.041(3) 0.074(3) 0.033(3) 0.019(2) 0.021(2) 0.029(3)
O1 0.0126(18) 0.0189(18) 0.022(2) 0.0026(14) 0.0027(14) 0.0056(14)
O32 0.0178(19) 0.019(2) 0.032(2) 0.0044(16) -0.0049(16) 0.0010(15)
O12 0.033(2) 0.0128(18) 0.033(2) 0.0016(16) 0.0103(18) -0.0015(16)
O11 0.021(2) 0.024(2) 0.023(2) -0.0028(15) 0.0046(16) -0.0026(16)
C4 0.017(3) 0.015(2) 0.027(3) 0.003(2) 0.004(2) 0.005(2)
C1I 0.026(3) 0.018(3) 0.024(3) 0.002(2) 0.010(2) 0.008(2)
O62 0.038(2) 0.0176(19) 0.027(2) 0.0016(16) 0.0136(18) -0.0046(17)
O5 0.023(2) 0.0111(17) 0.029(2) -0.0006(15) 0.0066(16) 0.0021(14)
O52 0.041(3) 0.041(3) 0.042(3) 0.022(2) 0.005(2) 0.016(2)
N50 0.009(2) 0.041(3) 0.043(3) 0.014(2) -0.008(2) 0.007(2)
O31 0.031(2) 0.0162(19) 0.050(3) 0.0086(18) -0.016(2) -0.0011(17)
C1D 0.014(3) 0.016(2) 0.022(3) -0.001(2) 0.007(2) 0.0019(19)
O33 0.034(2) 0.033(2) 0.047(3) 0.007(2) -0.012(2) 0.0146(19)
C3K 0.020(3) 0.037(3) 0.036(4) 0.017(3) -0.002(3) 0.006(2)
N10 0.015(2) 0.025(2) 0.017(2) 0.0058(18) 0.0018(18) 0.0040(18)
C6D 0.016(3) 0.027(3) 0.024(3) 0.001(2) 0.005(2) 0.006(2)
C1F 0.015(3) 0.017(2) 0.017(3) 0.0025(19) 0.0025(19) 0.005(2)
C6H 0.020(3) 0.036(3) 0.043(4) 0.019(3) 0.007(3) 0.004(2)
C5A 0.025(4) 0.031(4) 0.083(6) 0.020(4) -0.001(4) -0.008(3)
O53 0.055(4) 0.084(4) 0.089(5) 0.052(4) -0.030(3) 0.005(3)
C6F 0.020(3) 0.012(2) 0.031(3) 0.005(2) 0.003(2) 0.001(2)
C3B 0.027(3) 0.034(3) 0.027(3) 0.001(2) 0.003(2) 0.013(3)
C5E 0.027(3) 0.051(4) 0.027(3) 0.015(3) 0.009(3) 0.020(3)
C1G 0.008(2) 0.018(3) 0.035(3) -0.003(2) -0.005(2) 0.004(2)
C6B 0.023(3) 0.038(3) 0.027(3) 0.007(2) 0.003(2) 0.016(3)
C3 0.021(3) 0.015(2) 0.020(3) 0.006(2) 0.001(2) 0.005(2)
C2 0.015(3) 0.015(2) 0.023(3) 0.002(2) 0.005(2) 0.005(2)
C5B 0.029(3) 0.056(4) 0.038(4) 0.011(3) -0.001(3) 0.024(3)
N30 0.022(2) 0.027(3) 0.020(2) 0.0065(19) -0.0015(19) 0.003(2)
C5K 0.029(3) 0.036(3) 0.026(3) 0.001(3) 0.004(3) 0.007(3)
C1K 0.015(3) 0.015(2) 0.019(3) 0.003(2) -0.005(2) 0.0002(19)
C6C 0.020(3) 0.020(3) 0.021(3) 0.004(2) 0.005(2) 0.009(2)
C2I 0.034(3) 0.023(3) 0.029(3) -0.001(2) 0.001(3) 0.005(2)
C3C 0.041(4) 0.019(3) 0.033(3) 0.012(2) 0.018(3) 0.009(2)
C5D 0.020(3) 0.038(3) 0.022(3) 0.001(2) 0.004(2) 0.007(2)
C1C 0.020(3) 0.012(2) 0.022(3) 0.0007(19) 0.003(2) 0.008(2)
C1H 0.023(3) 0.017(3) 0.030(3) 0.009(2) 0.006(2) 0.009(2)
C3I 0.031(4) 0.036(4) 0.041(4) -0.007(3) -0.008(3) 0.006(3)
C2E 0.024(3) 0.024(3) 0.036(3) -0.004(2) -0.008(2) 0.006(2)
C1J 0.033(3) 0.018(3) 0.031(3) 0.010(2) 0.017(3) 0.012(2)
C5 0.017(3) 0.019(3) 0.023(3) 0.003(2) 0.004(2) 0.002(2)
C6A 0.018(3) 0.024(3) 0.051(4) 0.002(3) 0.002(3) 0.004(2)
C5C 0.031(3) 0.029(3) 0.025(3) 0.007(2) 0.002(2) 0.018(3)
C5I 0.045(4) 0.053(4) 0.029(3) 0.015(3) 0.011(3) 0.029(3)
C4F 0.025(3) 0.028(3) 0.039(4) 0.006(3) 0.014(3) 0.014(2)
C6I 0.030(3) 0.034(3) 0.032(3) 0.009(3) 0.012(3) 0.017(3)
C2A 0.028(3) 0.039(4) 0.049(4) 0.021(3) 0.012(3) 0.016(3)
C1E 0.014(3) 0.021(3) 0.021(3) 0.002(2) 0.004(2) 0.007(2)
C6 0.014(3) 0.019(3) 0.030(3) -0.006(2) 0.000(2) 0.006(2)
C4D 0.030(3) 0.040(4) 0.023(3) -0.010(3) 0.009(2) -0.002(3)
C4A 0.027(4) 0.047(4) 0.093(7) 0.046(5) -0.001(4) 0.001(3)
C1A 0.018(3) 0.019(3) 0.037(3) 0.010(2) 0.003(2) 0.011(2)
C6E 0.018(3) 0.031(3) 0.025(3) 0.009(2) 0.007(2) 0.008(2)
C2B 0.019(3) 0.021(3) 0.025(3) -0.001(2) -0.001(2) 0.006(2)
C2H 0.019(3) 0.022(3) 0.027(3) 0.007(2) 0.003(2) 0.007(2)
C3L 0.025(3) 0.022(3) 0.030(3) -0.001(2) 0.001(2) 0.004(2)
C3A 0.040(4) 0.074(5) 0.070(6) 0.055(5) 0.032(4) 0.038(4)
C1L 0.017(3) 0.019(3) 0.022(3) 0.003(2) -0.003(2) 0.010(2)
C4K 0.026(3) 0.031(3) 0.026(3) 0.009(2) -0.007(2) -0.006(2)
C4B 0.037(4) 0.050(4) 0.020(3) 0.007(3) -0.005(3) 0.017(3)
C4L 0.026(3) 0.017(3) 0.029(3) 0.009(2) 0.004(2) 0.002(2)
C1B 0.015(3) 0.015(2) 0.023(3) 0.000(2) 0.000(2) 0.0041(19)
C6L 0.037(4) 0.022(3) 0.038(4) 0.001(2) 0.014(3) 0.010(3)
N20 0.019(2) 0.022(2) 0.022(3) 0.0013(18) 0.0080(19) 0.0057(18)
O3 0.0162(18) 0.0113(17) 0.027(2) -0.0016(14) -0.0001(15) -0.0023(14)
O61 0.031(2) 0.0172(19) 0.022(2) 0.0017(15) 0.0094(16) 0.0041(16)
O51 0.032(3) 0.043(3) 0.042(3) 0.019(2) -0.009(2) 0.000(2)
N40 0.028(3) 0.010(2) 0.027(3) 0.0023(18) 0.011(2) 0.0017(18)
N60 0.025(3) 0.026(3) 0.019(2) 0.0002(19) 0.007(2) -0.001(2)
C1 0.009(2) 0.018(3) 0.025(3) -0.005(2) -0.001(2) -0.0002(19)
C2K 0.021(3) 0.028(3) 0.034(3) 0.010(2) 0.005(2) 0.012(2)
C6K 0.025(3) 0.024(3) 0.024(3) 0.002(2) 0.000(2) 0.008(2)
C2D 0.031(3) 0.017(3) 0.030(3) 0.002(2) 0.011(2) 0.000(2)
C2G 0.015(3) 0.027(3) 0.030(3) -0.005(2) 0.001(2) 0.002(2)
C3H 0.031(3) 0.039(3) 0.032(3) 0.009(3) -0.002(3) 0.014(3)
C4C 0.042(4) 0.029(3) 0.027(3) 0.011(2) 0.009(3) 0.023(3)
C2C 0.019(3) 0.016(3) 0.033(3) 0.005(2) 0.009(2) 0.004(2)
C2L 0.018(3) 0.024(3) 0.029(3) -0.003(2) 0.005(2) 0.002(2)
C3D 0.050(4) 0.015(3) 0.047(4) -0.007(3) 0.018(3) -0.001(3)
C3F 0.028(3) 0.017(3) 0.044(4) 0.004(2) 0.008(3) 0.008(2)
C3E 0.027(3) 0.038(4) 0.048(4) -0.014(3) -0.017(3) 0.009(3)
C2J 0.026(3) 0.021(3) 0.061(5) 0.008(3) 0.016(3) 0.005(2)
C2F 0.019(3) 0.015(3) 0.034(3) 0.003(2) 0.004(2) 0.003(2)
C5F 0.016(3) 0.027(3) 0.033(3) 0.007(2) 0.005(2) 0.004(2)
C3G 0.026(3) 0.042(4) 0.035(4) -0.009(3) -0.001(3) 0.008(3)
C4G 0.031(4) 0.034(4) 0.053(5) -0.020(3) -0.011(3) 0.013(3)
C5L 0.042(4) 0.030(3) 0.045(4) 0.014(3) 0.027(3) 0.011(3)
C5H 0.046(4) 0.046(4) 0.053(5) 0.030(3) 0.019(3) 0.014(3)
C6G 0.033(3) 0.018(3) 0.050(4) 0.004(3) -0.013(3) 0.000(2)
C5G 0.046(4) 0.016(3) 0.074(6) -0.008(3) -0.024(4) 0.002(3)
C4E 0.042(4) 0.064(5) 0.025(3) -0.003(3) -0.009(3) 0.030(4)
C6J 0.049(4) 0.035(3) 0.028(3) 0.003(3) 0.010(3) 0.021(3)
C4I 0.040(4) 0.061(5) 0.028(4) -0.001(3) -0.004(3) 0.025(3)
C4H 0.052(4) 0.048(4) 0.036(4) 0.021(3) 0.002(3) 0.023(3)
C5J 0.080(6) 0.051(4) 0.039(4) 0.012(3) 0.033(4) 0.044(4)
C4J 0.063(6) 0.052(5) 0.080(6) 0.033(4) 0.051(5) 0.036(4)
C3J 0.028(4) 0.034(4) 0.103(7) 0.028(4) 0.028(4) 0.013(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O3 2.233(4) . ?
Dy1 O2 2.244(4) . ?
Dy1 O1 2.286(4) . ?
Dy1 O12 2.422(4) . ?
Dy1 O22 2.436(4) . ?
Dy1 O21 2.439(4) . ?
Dy1 O11 2.457(4) . ?
Dy1 O31 2.483(4) . ?
Dy1 O32 2.494(4) . ?
Dy1 N20 2.860(5) . ?
Dy1 N10 2.864(5) . ?
Dy1 N30 2.906(5) . ?
Dy2 O5 2.251(4) . ?
Dy2 O6 2.265(4) . ?
Dy2 O4 2.266(4) . ?
Dy2 O51 2.419(5) . ?
Dy2 O42 2.420(4) . ?
Dy2 O61 2.432(4) . ?
Dy2 O62 2.453(4) . ?
Dy2 O52 2.478(4) . ?
Dy2 O41 2.480(4) . ?
Dy2 N50 2.822(5) . ?
Dy2 N40 2.862(5) . ?
Dy2 N60 2.871(5) . ?
P2 O2 1.481(4) . ?
P2 C1C 1.774(5) . ?
P2 C1D 1.775(5) . ?
P2 C2 1.794(5) . ?
P3 O3 1.485(4) . ?
P3 C1E 1.777(6) . ?
P3 C3 1.784(5) . ?
P3 C1F 1.785(5) . ?
P5 O5 1.472(4) . ?
P5 C1I 1.780(6) . ?
P5 C5 1.788(6) . ?
P5 C1J 1.793(6) . ?
P4 O4 1.493(4) . ?
P4 C1G 1.766(6) . ?
P4 C1H 1.774(6) . ?
P4 C4 1.799(5) . ?
P1 O1 1.492(4) . ?
P1 C1B 1.770(5) . ?
P1 C1 1.787(5) . ?
P1 C1A 1.793(6) . ?
P6 O6 1.493(4) . ?
P6 C1K 1.772(5) . ?
P6 C1L 1.781(6) . ?
P6 C6 1.790(5) . ?
O21 N20 1.269(6) . ?
O63 N60 1.212(6) . ?
O13 N10 1.209(6) . ?
O41 N40 1.255(6) . ?
O22 N20 1.255(6) . ?
O42 N40 1.253(6) . ?
O43 N40 1.215(6) . ?
O23 N20 1.208(6) . ?
O32 N30 1.231(6) . ?
O12 N10 1.253(6) . ?
O11 N10 1.263(6) . ?
C4 C2 1.506(7) 1_455 ?
C1I C2I 1.378(8) . ?
C1I C6I 1.380(8) . ?
O62 N60 1.261(6) . ?
O52 N50 1.237(7) . ?
N50 O51 1.203(7) . ?
N50 O53 1.247(7) . ?
O31 N30 1.254(6) . ?
C1D C2D 1.371(7) . ?
C1D C6D 1.376(8) . ?
O33 N30 1.231(6) . ?
C3K C4K 1.364(9) . ?
C3K C2K 1.369(8) . ?
C6D C5D 1.354(8) . ?
C1F C2F 1.373(7) . ?
C1F C6F 1.388(7) . ?
C6H C5H 1.360(9) . ?
C6H C1H 1.393(8) . ?
C5A C4A 1.321(12) . ?
C5A C6A 1.392(9) . ?
C6F C5F 1.379(8) . ?
C3B C2B 1.363(8) . ?
C3B C4B 1.382(8) . ?
C5E C4E 1.352(10) . ?
C5E C6E 1.375(8) . ?
C1G C2G 1.373(8) . ?
C1G C6G 1.386(8) . ?
C6B C5B 1.362(9) . ?
C6B C1B 1.378(7) . ?
C3 C5 1.517(7) 1_545 ?
C2 C4 1.506(7) 1_655 ?
C5B C4B 1.381(9) . ?
C5K C6K 1.368(8) . ?
C5K C4K 1.380(9) . ?
C1K C6K 1.388(8) . ?
C1K C2K 1.395(7) . ?
C6C C5C 1.384(8) . ?
C6C C1C 1.386(7) . ?
C2I C3I 1.368(9) . ?
C3C C2C 1.371(8) . ?
C3C C4C 1.372(9) . ?
C5D C4D 1.381(9) . ?
C1C C2C 1.394(7) . ?
C1H C2H 1.380(8) . ?
C3I C4I 1.370(10) . ?
C2E C3E 1.375(9) . ?
C2E C1E 1.379(8) . ?
C1J C6J 1.374(8) . ?
C1J C2J 1.380(9) . ?
C5 C3 1.517(7) 1_565 ?
C6A C1A 1.373(9) . ?
C5C C4C 1.373(9) . ?
C5I C6I 1.363(9) . ?
C5I C4I 1.372(10) . ?
C4F C5F 1.366(8) . ?
C4F C3F 1.384(8) . ?
C2A C1A 1.370(9) . ?
C2A C3A 1.400(10) . ?
C1E C6E 1.374(8) . ?
C6 C1 1.503(7) . ?
C4D C3D 1.361(10) . ?
C4A C3A 1.368(12) . ?
C2B C1B 1.381(8) . ?
C2H C3H 1.376(8) . ?
C3L C4L 1.372(8) . ?
C3L C2L 1.380(8) . ?
C1L C2L 1.377(8) . ?
C1L C6L 1.383(8) . ?
C4L C5L 1.362(9) . ?
C6L C5L 1.388(9) . ?
O61 N60 1.250(6) . ?
C2D C3D 1.377(9) . ?
C2G C3G 1.377(8) . ?
C3H C4H 1.386(10) . ?
C3F C2F 1.377(8) . ?
C3E C4E 1.395(10) . ?
C2J C3J 1.376(9) . ?
C3G C4G 1.373(10) . ?
C4G C5G 1.368(11) . ?
C5H C4H 1.369(10) . ?
C6G C5G 1.365(10) . ?
C6J C5J 1.391(10) . ?
C5J C4J 1.343(12) . ?
C4J C3J 1.364(12) . ?