#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2012966.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_2012966
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m523
_journal_page_last  m528
_publ_section_title
;
Low-dimensional compounds containing cyano groups. IV.
Bis(2,2'-bipyridine-\k^2^N,N')(dicyanamido-\kN')copper(II) perchlorate and
\m-dicyanamido-\k^2^N^1^:N^3^-bis[bis(2,2'-bipyridine-\k^2^N,N')copper(II)]
tris(perchlorate) ethanol hemisolvate: complexes with unusual dicyanamide
coordination
;
loop_
_publ_author_name
  "Poto\<c\<n\'ak, Ivan"
  "Bur\<c\'ak, Milan"
  'Massa, Werner'
  "J\"ager, Lothar"
_chemical_formula_moiety  'C42 H32 N11 Cu2 3+ , 3Cl O4 - , 0.5C2 H6 O'
_chemical_formula_sum            'C43 H35 Cl3 Cu2 N11 O12.5'
_[local]_cod_chemical_formula_sum_orig 'C43 H35 Cl3 Cu2 N11 O12.50'
_chemical_formula_iupac  '[Cu2 (C10 H8 N2)4 (C2 N3)] (Cl O4)3 , 0.5C2 H6 O'
_chemical_formula_weight  1139.25
_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  10.2999(9)
_cell_length_b  14.3808(12)
_cell_length_c  16.4311(16)
_cell_angle_alpha  74.120(10)
_cell_angle_beta  83.371(11)
_cell_angle_gamma  80.046(10)
_cell_volume  2299.7(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  193(2)
_exptl_crystal_density_diffrn  1.645
_diffrn_ambient_temperature  193(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_type_symbol
  Cu1 0.39715(4) 0.77460(4) 0.03948(3) 0.0332(2) Uani . . 1.000 Cu
  Cu2 -0.03369(4) 0.75098(3) 0.50717(3) 0.02490(10)
  Uani . . 1.000 Cu
  N1 0.1089(3) 0.8554(2) 0.23858(19) 0.0350(11) Uani . . 1.000 N
  N2 0.2946(3) 0.8135(3) 0.1415(2) 0.0385(11) Uani . . 1.000 N
  N3 0.0356(3) 0.7768(3) 0.3837(2) 0.0381(11) Uani . . 1.000 N
  N10 0.3096(3) 0.8937(3) -0.03844(19) 0.0364(11) Uani . . 1.000 N
  N20 0.5622(3) 0.8340(3) -0.0210(2) 0.0391(13) Uani . . 1.000 N
  N30 0.4884(3) 0.6556(3) 0.1147(2) 0.0359(11) Uani . . 1.000 N
  N40 0.3231(3) 0.6692(3) 0.0015(2) 0.0373(11) Uani . . 1.000 N
  N50 -0.1724(3) 0.8667(2) 0.48242(18) 0.0245(10) Uani . . 1.000 N
  N60 0.0134(3) 0.8272(2) 0.58837(18) 0.0269(10) Uani . . 1.000 N
  N70 0.1015(3) 0.6346(2) 0.53880(19) 0.0293(10) Uani . . 1.000 N
  N80 -0.1542(3) 0.6470(2) 0.56497(18) 0.0254(10) Uani . . 1.000 N
  C2 0.2096(4) 0.8274(3) 0.1908(2) 0.0296(11) Uani . . 1.000 C
  C3 0.0769(3) 0.8086(3) 0.3153(2) 0.0292(11) Uani . . 1.000 C
  C11 0.3901(4) 0.9532(3) -0.0889(2) 0.0392(16) Uani . . 1.000 C
  C12 0.1785(4) 0.9196(4) -0.0404(3) 0.0495(16) Uani . . 1.000 C
  C13 0.1221(5) 1.0047(4) -0.0946(3) 0.0586(19) Uani . . 1.000 C
  C14 0.2020(6) 1.0657(4) -0.1456(3) 0.0633(19) Uani . . 1.000 C
  C15 0.3382(6) 1.0412(4) -0.1435(3) 0.0557(19) Uani . . 1.000 C
  C21 0.5315(4) 0.9180(3) -0.0823(2) 0.0384(16) Uani . . 1.000 C
  C22 0.6891(4) 0.7970(4) -0.0124(3) 0.0533(19) Uani . . 1.000 C
  C23 0.7904(5) 0.8412(5) -0.0626(3) 0.076(2) Uani . . 1.000 C
  C24 0.7581(5) 0.9250(5) -0.1253(3) 0.075(2) Uani . . 1.000 C
  C25 0.6296(5) 0.9638(4) -0.1355(3) 0.058(2) Uani . . 1.000 C
  C31 0.4557(4) 0.5702(3) 0.1120(2) 0.0364(14) Uani . . 1.000 C
  C32 0.5763(4) 0.6560(4) 0.1684(2) 0.0447(16) Uani . . 1.000 C
  C33 0.6406(4) 0.5713(4) 0.2189(3) 0.0523(18) Uani . . 1.000 C
  C34 0.6087(5) 0.4845(4) 0.2156(3) 0.0573(19) Uani . . 1.000 C
  C35 0.5146(4) 0.4825(3) 0.1638(3) 0.0496(17) Uani . . 1.000 C
  C41 0.3580(4) 0.5780(3) 0.0505(3) 0.0388(14) Uani . . 1.000 C
  C42 0.2372(4) 0.6827(4) -0.0577(3) 0.0482(19) Uani . . 1.000 C
  C43 0.1807(5) 0.6065(5) -0.0684(4) 0.066(2) Uani . . 1.000 C
  C44 0.2155(6) 0.5140(5) -0.0160(4) 0.067(2) Uani . . 1.000 C
  C45 0.3055(5) 0.4988(4) 0.0430(3) 0.0515(17) Uani . . 1.000 C
  C51 -0.1766(3) 0.9321(3) 0.5276(2) 0.0252(11) Uani . . 1.000 C
  C52 -0.2590(3) 0.8826(3) 0.4232(2) 0.0305(11) Uani . . 1.000 C
  C53 -0.3526(3) 0.9649(3) 0.4063(3) 0.0343(14) Uani . . 1.000 C
  C54 -0.3575(4) 1.0321(3) 0.4527(3) 0.0387(16) Uani . . 1.000 C
  C55 -0.2696(4) 1.0159(3) 0.5140(3) 0.0341(12) Uani . . 1.000 C
  C61 -0.0752(3) 0.9089(3) 0.5893(2) 0.0269(11) Uani . . 1.000 C
  C62 0.1101(4) 0.8022(3) 0.6410(2) 0.0353(14) Uani . . 1.000 C
  C63 0.1263(4) 0.8578(3) 0.6952(3) 0.0407(14) Uani . . 1.000 C
  C64 0.0371(4) 0.9398(3) 0.6961(3) 0.0432(16) Uani . . 1.000 C
  C65 -0.0662(4) 0.9658(3) 0.6432(3) 0.0370(14) Uani . . 1.000 C
  C71 0.0572(3) 0.5491(3) 0.5775(2) 0.0270(11) Uani . . 1.000 C
  C72 0.2314(3) 0.6363(3) 0.5202(3) 0.0378(14) Uani . . 1.000 C
  C73 0.3217(4) 0.5539(4) 0.5390(3) 0.0477(18) Uani . . 1.000 C
  C74 0.2799(4) 0.4658(4) 0.5771(3) 0.0494(18) Uani . . 1.000 C
  C75 0.1459(4) 0.4628(3) 0.5965(2) 0.0407(16) Uani . . 1.000 C
  C81 -0.0873(4) 0.5571(3) 0.5947(2) 0.0286(11) Uani . . 1.000 C
  C82 -0.2858(3) 0.6614(3) 0.5795(2) 0.0326(14) Uani . . 1.000 C
  C83 -0.3549(4) 0.5869(3) 0.6243(3) 0.0410(16) Uani . . 1.000 C
  C84 -0.2863(4) 0.4942(4) 0.6538(3) 0.0458(16) Uani . . 1.000 C
  C85 -0.1515(4) 0.4787(3) 0.6389(2) 0.0368(14) Uani . . 1.000 C
  O13 -0.0395(7) 0.4143(5) 0.2399(4) 0.070(3) Uani . . 0.500 O
  C4 0.1185(11) 0.3063(11) 0.1628(9) 0.171(9) Uani . . 0.500 C
  C5 0.0864(6) 0.3650(6) 0.2262(5) 0.026(3) Uani . . 0.500 C
  Cl1 0.53904(8) 0.22125(7) 0.64204(6) 0.0297(3) Uani . . 1.000 Cl
  O1 0.4137(3) 0.2145(3) 0.6885(2) 0.0600(13) Uani . . 1.000 O
  O2 0.5904(3) 0.3018(3) 0.6544(2) 0.0563(12) Uani . . 1.000 O
  O3 0.5237(3) 0.2351(3) 0.55349(18) 0.0511(10) Uani . . 1.000 O
  O4 0.6262(4) 0.1327(3) 0.6718(2) 0.0688(14) Uani . . 1.000 O
  Cl2 0.48597(13) 0.20643(9) 0.25670(8) 0.0558(4) Uani . . 1.000 Cl
  O5 0.4189(6) 0.2703(3) 0.1886(4) 0.146(3) Uani . . 1.000 O
  O6 0.5860(4) 0.1415(4) 0.2232(3) 0.0993(19) Uani . . 1.000 O
  O7 0.5524(4) 0.2582(3) 0.2979(3) 0.0798(17) Uani . . 1.000 O
  O8 0.4017(4) 0.1518(4) 0.3150(3) 0.1074(19) Uani . . 1.000 O
  Cl3 0.98479(10) 0.66642(9) 0.14780(7) 0.0447(4) Uani . . 1.000 Cl
  O9 0.9225(5) 0.6119(5) 0.1125(4) 0.127(3) Uani . . 1.000 O
  O10 1.1126(4) 0.6242(4) 0.1705(3) 0.0970(18) Uani . . 1.000 O
  O11 1.0019(4) 0.7567(3) 0.0830(2) 0.0859(16) Uani . . 1.000 O
  O12 0.9071(3) 0.6913(3) 0.2181(2) 0.0665(12) Uani . . 1.000 O
  H12 0.12230 0.87810 -0.00330 0.0590 Uiso calc R 1.000 H
  H13 0.02880 1.02030 -0.09600 0.0700 Uiso calc R 1.000 H
  H14 0.16490 1.12510 -0.18270 0.0760 Uiso calc R 1.000 H
  H15 0.39520 1.08360 -0.17870 0.0670 Uiso calc R 1.000 H
  H22 0.71090 0.73790 0.02990 0.0640 Uiso calc R 1.000 H
  H23 0.88010 0.81420 -0.05390 0.0910 Uiso calc R 1.000 H
  H24 0.82580 0.95580 -0.16140 0.0900 Uiso calc R 1.000 H
  H25 0.60680 1.02190 -0.17860 0.0700 Uiso calc R 1.000 H
  H32 0.59530 0.71700 0.17190 0.0540 Uiso calc R 1.000 H
  H33 0.70530 0.57360 0.25480 0.0620 Uiso calc R 1.000 H
  H34 0.65170 0.42500 0.24940 0.0690 Uiso calc R 1.000 H
  H35 0.48970 0.42220 0.16310 0.0600 Uiso calc R 1.000 H
  H42 0.21450 0.74640 -0.09340 0.0580 Uiso calc R 1.000 H
  H43 0.11990 0.61740 -0.11040 0.0790 Uiso calc R 1.000 H
  H44 0.17650 0.46080 -0.02110 0.0810 Uiso calc R 1.000 H
  H45 0.33130 0.43520 0.07800 0.0620 Uiso calc R 1.000 H
  H52 -0.25550 0.83560 0.39180 0.0370 Uiso calc R 1.000 H
  H53 -0.41230 0.97510 0.36360 0.0410 Uiso calc R 1.000 H
  H54 -0.42130 1.08950 0.44250 0.0460 Uiso calc R 1.000 H
  H55 -0.27270 1.06160 0.54670 0.0410 Uiso calc R 1.000 H
  H62 0.17040 0.74410 0.64150 0.0420 Uiso calc R 1.000 H
  H63 0.19780 0.83920 0.73080 0.0480 Uiso calc R 1.000 H
  H64 0.04580 0.97880 0.73280 0.0520 Uiso calc R 1.000 H
  H65 -0.12980 1.02200 0.64410 0.0450 Uiso calc R 1.000 H
  H72 0.26130 0.69700 0.49310 0.0460 Uiso calc R 1.000 H
  H73 0.41320 0.55740 0.52580 0.0570 Uiso calc R 1.000 H
  H74 0.34180 0.40760 0.59000 0.0600 Uiso calc R 1.000 H
  H75 0.11490 0.40230 0.62260 0.0490 Uiso calc R 1.000 H
  H82 -0.33310 0.72490 0.55830 0.0390 Uiso calc R 1.000 H
  H83 -0.44810 0.59920 0.63480 0.0490 Uiso calc R 1.000 H
  H84 -0.33210 0.44170 0.68400 0.0540 Uiso calc R 1.000 H
  H85 -0.10270 0.41540 0.65840 0.0440 Uiso calc R 1.000 H
  H4A 0.06390 0.25380 0.17700 0.2050 Uiso calc R 0.500 H
  H4B 0.10060 0.34850 0.10620 0.2050 Uiso calc R 0.500 H
  H4C 0.21210 0.27780 0.16350 0.2050 Uiso calc R 0.500 H
  H5A 0.14700 0.41460 0.21130 0.0310 Uiso calc R 0.500 H
  H5B 0.11100 0.32060 0.28160 0.0310 Uiso calc R 0.500 H
  H13A -0.09610 0.38460 0.22920 0.0840 Uiso calc R 0.500 H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cu1 0.0442(3) 0.0284(3) 0.0225(2) -0.0037(2) 0.0018(2) -0.0019(2)
  Cu2 0.0263(2) 0.0200(3) 0.0265(2) -0.0011(2) 0.0010(2) -0.0056(2)
  N1 0.0406(18) 0.031(2) 0.0233(17) 0.0069(14) 0.0009(14) 0.0011(14)
  N2 0.0473(19) 0.041(2) 0.0229(17) -0.0027(16) 0.0014(15) -0.0050(15)
  N3 0.0429(18) 0.029(2) 0.035(2) 0.0045(15) 0.0088(15) -0.0069(15)
  N10 0.048(2) 0.037(2) 0.0204(17) -0.0002(15) 0.0002(14) -0.0060(15)
  N20 0.048(2) 0.046(3) 0.0221(17) -0.0147(16) -0.0053(14) -0.0011(15)
  N30 0.0446(19) 0.034(2) 0.0250(18) -0.0052(15) 0.0059(14) -0.0045(14)
  N40 0.0420(18) 0.041(2) 0.0290(18) -0.0046(15) 0.0057(15) -0.0136(16)
  N50 0.0261(15) 0.0196(19) 0.0282(17) -0.0052(12) 0.0001(12) -0.0064(13)
  N60 0.0314(16) 0.024(2) 0.0251(16) -0.0053(13) -0.0003(13) -0.0062(13)
  N70 0.0288(15) 0.030(2) 0.0265(17) 0.0032(13) 0.0001(13) -0.0085(14)
  N80 0.0308(16) 0.0220(19) 0.0235(16) -0.0046(12) 0.0008(12) -0.0069(13)
  C2 0.042(2) 0.025(2) 0.0197(19) -0.0020(16) -0.0061(16) -0.0025(15)
  C3 0.0333(19) 0.025(2) 0.027(2) 0.0046(15) -0.0013(16) -0.0088(16)
  C11 0.072(3) 0.024(3) 0.023(2) -0.008(2) -0.0054(19) -0.0069(17)
  C12 0.058(3) 0.053(3) 0.030(2) 0.008(2) 0.001(2) -0.010(2)
  C13 0.069(3) 0.060(4) 0.035(3) 0.024(3) -0.007(2) -0.012(2)
  C14 0.102(4) 0.037(3) 0.043(3) 0.021(3) -0.021(3) -0.010(2)
  C15 0.105(4) 0.026(3) 0.035(3) -0.010(3) -0.012(3) -0.003(2)
  C21 0.063(3) 0.032(3) 0.025(2) -0.022(2) -0.0057(18) -0.0052(18)
  C22 0.050(3) 0.068(4) 0.035(3) -0.016(2) -0.009(2) 0.005(2)
  C23 0.051(3) 0.119(6) 0.051(3) -0.038(3) -0.004(2) 0.003(3)
  C24 0.066(3) 0.101(5) 0.054(3) -0.051(3) -0.001(3) 0.010(3)
  C25 0.083(4) 0.061(4) 0.034(3) -0.046(3) -0.004(2) 0.004(2)
  C31 0.040(2) 0.033(3) 0.028(2) -0.0042(18) 0.0132(17) -0.0016(17)
  C32 0.055(3) 0.049(3) 0.024(2) -0.006(2) -0.0022(19) -0.0005(19)
  C33 0.052(3) 0.062(4) 0.031(2) -0.003(2) 0.000(2) 0.003(2)
  C34 0.056(3) 0.059(4) 0.036(3) 0.007(2) 0.006(2) 0.009(2)
  C35 0.061(3) 0.029(3) 0.050(3) -0.007(2) 0.017(2) -0.004(2)
  C41 0.048(2) 0.033(3) 0.035(2) -0.0083(19) 0.0184(19) -0.0157(19)
  C42 0.049(3) 0.056(4) 0.043(3) -0.005(2) 0.003(2) -0.023(2)
  C43 0.066(3) 0.091(5) 0.058(3) -0.014(3) -0.005(3) -0.048(3)
  C44 0.080(4) 0.059(4) 0.076(4) -0.024(3) 0.016(3) -0.041(3)
  C45 0.063(3) 0.044(3) 0.053(3) -0.014(2) 0.011(2) -0.024(2)
  C51 0.0279(18) 0.020(2) 0.0259(19) -0.0061(14) 0.0051(14) -0.0044(15)
  C52 0.0309(19) 0.026(2) 0.033(2) -0.0041(15) -0.0033(16) -0.0044(16)
  C53 0.0285(19) 0.029(3) 0.040(2) -0.0027(16) -0.0077(16) 0.0010(18)
  C54 0.035(2) 0.026(3) 0.046(3) 0.0030(16) 0.0006(18) -0.0003(19)
  C55 0.041(2) 0.021(2) 0.038(2) -0.0013(16) 0.0054(18) -0.0094(17)
  C61 0.0343(19) 0.021(2) 0.026(2) -0.0080(15) 0.0043(15) -0.0075(15)
  C62 0.037(2) 0.032(3) 0.036(2) -0.0048(17) -0.0031(17) -0.0075(18)
  C63 0.041(2) 0.050(3) 0.034(2) -0.012(2) -0.0059(18) -0.011(2)
  C64 0.056(3) 0.046(3) 0.037(2) -0.015(2) -0.001(2) -0.023(2)
  C65 0.044(2) 0.034(3) 0.038(2) -0.0074(18) 0.0014(18) -0.0184(19)
  C71 0.037(2) 0.022(2) 0.0215(18) 0.0025(16) -0.0044(15) -0.0080(15)
  C72 0.029(2) 0.044(3) 0.038(2) 0.0029(17) 0.0034(17) -0.014(2)
  C73 0.039(2) 0.059(4) 0.043(3) 0.013(2) -0.0057(19) -0.021(2)
  C74 0.053(3) 0.054(4) 0.034(2) 0.031(2) -0.011(2) -0.020(2)
  C75 0.068(3) 0.024(3) 0.025(2) 0.0108(19) -0.0083(19) -0.0065(17)
  C81 0.046(2) 0.022(2) 0.0177(18) -0.0033(16) -0.0032(15) -0.0059(15)
  C82 0.031(2) 0.033(3) 0.034(2) -0.0064(16) -0.0004(16) -0.0090(18)
  C83 0.040(2) 0.046(3) 0.042(3) -0.019(2) 0.0074(19) -0.016(2)
  C84 0.067(3) 0.040(3) 0.036(2) -0.030(2) 0.014(2) -0.013(2)
  C85 0.063(3) 0.019(2) 0.028(2) -0.0103(18) 0.0012(18) -0.0044(16)
  O13 0.110(6) 0.065(6) 0.047(4) -0.041(4) -0.016(4) -0.015(4)
  C4 0.058(8) 0.146(17) 0.26(2) -0.070(10) -0.071(12) 0.085(17)
  C5 0.027(4) 0.031(5) 0.025(4) -0.009(3) -0.001(3) -0.014(3)
  Cl1 0.0339(5) 0.0261(6) 0.0291(5) -0.0057(4) -0.0036(4) -0.0058(4)
  O1 0.0526(18) 0.080(3) 0.058(2) -0.0323(17) 0.0161(15) -0.0297(19)
  O2 0.078(2) 0.050(2) 0.054(2) -0.0377(17) 0.0071(16) -0.0227(16)
  O3 0.0613(18) 0.065(2) 0.0287(16) -0.0222(16) -0.0127(14) -0.0030(15)
  O4 0.090(2) 0.052(3) 0.059(2) 0.0314(19) -0.0303(19) -0.0209(18)
  Cl2 0.0887(9) 0.0289(7) 0.0499(7) -0.0038(6) -0.0246(6) -0.0056(5)
  O5 0.235(6) 0.049(3) 0.157(5) -0.035(3) -0.152(5) 0.032(3)
  O6 0.109(3) 0.126(4) 0.091(3) -0.015(3) -0.003(3) -0.078(3)
  O7 0.114(3) 0.048(3) 0.093(3) 0.012(2) -0.054(2) -0.040(2)
  O8 0.088(3) 0.117(4) 0.100(3) -0.041(3) -0.008(3) 0.017(3)
  Cl3 0.0433(6) 0.0533(8) 0.0366(6) -0.0046(5) -0.0012(4) -0.0126(5)
  O9 0.113(3) 0.172(6) 0.153(5) -0.073(4) 0.025(3) -0.120(5)
  O10 0.062(2) 0.133(4) 0.076(3) 0.021(2) -0.014(2) -0.012(3)
  O11 0.104(3) 0.076(3) 0.056(2) -0.014(2) 0.012(2) 0.012(2)
  O12 0.088(2) 0.053(2) 0.052(2) -0.0065(18) 0.0263(18) -0.0180(17)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu1 N2 . . 2.034(4) yes
  Cu1 N10 . . 1.980(4) yes
  Cu1 N20 . . 2.063(3) yes
  Cu1 N30 . . 1.973(4) yes
  Cu1 N40 . . 2.073(4) yes
  Cu2 N3 . . 2.027(3) yes
  Cu2 N50 . . 1.979(3) yes
  Cu2 N60 . . 2.086(3) yes
  Cu2 N70 . . 1.974(3) yes
  Cu2 N80 . . 2.067(3) yes
  Cl1 O2 . . 1.424(4) yes
  Cl1 O3 . . 1.437(3) yes
  Cl1 O1 . . 1.426(3) yes
  Cl1 O4 . . 1.425(4) yes
  Cl2 O6 . . 1.433(5) yes
  Cl2 O7 . . 1.428(5) yes
  Cl2 O5 . . 1.403(6) yes
  Cl2 O8 . . 1.386(5) yes
  Cl3 O9 . . 1.368(7) yes
  Cl3 O10 . . 1.398(5) yes
  Cl3 O12 . . 1.420(4) yes
  Cl3 O11 . . 1.459(4) yes
  O13 C5 . . 1.392(10) yes
  O13 H13A . . 0.8391 no
  N1 C2 . . 1.302(5) yes
  N1 C3 . . 1.291(4) yes
  N2 C2 . . 1.152(5) yes
  N3 C3 . . 1.153(5) yes
  N10 C12 . . 1.339(6) yes
  N10 C11 . . 1.344(5) yes
  N20 C21 . . 1.360(5) yes
  N20 C22 . . 1.331(6) yes
  N30 C31 . . 1.342(6) yes
  N30 C32 . . 1.337(5) yes
  N40 C42 . . 1.343(6) yes
  N40 C41 . . 1.350(6) yes
  N50 C52 . . 1.343(4) yes
  N50 C51 . . 1.341(5) yes
  N60 C62 . . 1.332(5) yes
  N60 C61 . . 1.360(5) yes
  N70 C72 . . 1.341(5) yes
  N70 C71 . . 1.350(5) yes
  N80 C82 . . 1.339(5) yes
  N80 C81 . . 1.345(5) yes
  C11 C21 . . 1.463(6) no
  C11 C15 . . 1.396(7) no
  C12 C13 . . 1.380(7) no
  C13 C14 . . 1.355(8) no
  C14 C15 . . 1.388(9) no
  C21 C25 . . 1.389(6) no
  C22 C23 . . 1.384(7) no
  C23 C24 . . 1.373(8) no
  C24 C25 . . 1.355(8) no
  C31 C35 . . 1.397(6) no
  C31 C41 . . 1.477(6) no
  C32 C33 . . 1.380(7) no
  C33 C34 . . 1.361(8) no
  C34 C35 . . 1.370(7) no
  C41 C45 . . 1.382(7) no
  C42 C43 . . 1.386(9) no
  C43 C44 . . 1.385(10) no
  C44 C45 . . 1.367(8) no
  C51 C61 . . 1.473(5) no
  C51 C55 . . 1.387(6) no
  C52 C53 . . 1.377(6) no
  C53 C54 . . 1.377(6) no
  C54 C55 . . 1.378(6) no
  C61 C65 . . 1.380(6) no
  C62 C63 . . 1.389(6) no
  C63 C64 . . 1.366(6) no
  C64 C65 . . 1.388(6) no
  C71 C81 . . 1.473(5) no
  C71 C75 . . 1.391(6) no
  C72 C73 . . 1.360(7) no
  C73 C74 . . 1.369(8) no
  C74 C75 . . 1.386(6) no
  C81 C85 . . 1.391(6) no
  C82 C83 . . 1.381(6) no
  C83 C84 . . 1.382(7) no
  C84 C85 . . 1.372(6) no
  C12 H12 . . 0.9496 no
  C13 H13 . . 0.9498 no
  C14 H14 . . 0.9504 no
  C15 H15 . . 0.9505 no
  C22 H22 . . 0.9501 no
  C23 H23 . . 0.9492 no
  C24 H24 . . 0.9496 no
  C25 H25 . . 0.9495 no
  C32 H32 . . 0.9490 no
  C33 H33 . . 0.9498 no
  C34 H34 . . 0.9500 no
  C35 H35 . . 0.9492 no
  C42 H42 . . 0.9495 no
  C43 H43 . . 0.9485 no
  C44 H44 . . 0.9502 no
  C45 H45 . . 0.9494 no
  C52 H52 . . 0.9500 no
  C53 H53 . . 0.9508 no
  C54 H54 . . 0.9505 no
  C55 H55 . . 0.9506 no
  C62 H62 . . 0.9497 no
  C63 H63 . . 0.9496 no
  C64 H64 . . 0.9493 no
  C65 H65 . . 0.9507 no
  C72 H72 . . 0.9506 no
  C73 H73 . . 0.9492 no
  C74 H74 . . 0.9495 no
  C75 H75 . . 0.9503 no
  C82 H82 . . 0.9507 no
  C83 H83 . . 0.9499 no
  C84 H84 . . 0.9502 no
  C85 H85 . . 0.9504 no
  C4 C5 . . 1.487(17) no
  C4 H4C . . 0.9803 no
  C4 H4B . . 0.9794 no
  C4 H4A . . 0.9802 no
  C5 H5B . . 0.9898 no
  C5 H5A . . 0.9906 no
_cod_database_code 2012966