#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/7/7051291.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_7051291
_journal_name_full  'New Journal of Chemistry'
_journal_year      2000
_chemical_formula_sum    'C58 H67 Cl Li4 N4 O10 Zn'
_chemical_formula_weight  1108.74
_symmetry_cell_setting  monoclinic
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_[local]_cod_cif_authors_sg_H-M  'P 21/c'
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
_cell_length_a  11.818(2)
_cell_length_b  23.435(5)
_cell_length_c  21.975(4)
_cell_angle_alpha  90.00
_cell_angle_beta  96.92(3)
_cell_angle_gamma  90.00
_cell_volume  6042(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  299(1)
_exptl_crystal_density_diffrn  1.219
_diffrn_ambient_temperature  299(1)
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn Zn 0.65904(4) 0.24117(2) 0.31049(2) 0.03542(14) Uani 1 d . . .
Cl Cl 0.50850(10) 0.28482(6) 0.34084(6) 0.0586(3) Uani 1 d . . .
Li1 Li 0.9117(6) 0.1600(3) 0.2017(3) 0.0439(17) Uani 1 d . . .
Li2 Li 0.6341(6) 0.1753(3) 0.1770(3) 0.0429(17) Uani 1 d . . .
Li3 Li 0.7761(6) 0.1104(3) 0.2677(3) 0.0411(17) Uani 1 d . . .
Li4 Li 0.9004(7) 0.1933(3) 0.3462(3) 0.0526(19) Uani 1 d . . .
O10 O 0.9588(2) 0.11836(13) 0.12909(12) 0.0458(7) Uani 1 d . . .
O11 O 0.7586(2) 0.12426(11) 0.18233(11) 0.0368(6) Uani 1 d . . .
O20 O 0.6189(3) 0.22426(13) 0.10165(13) 0.0630(10) Uani 1 d . . .
O21 O 0.6565(2) 0.24543(12) 0.22244(12) 0.0439(7) Uani 1 d . . .
O30 O 0.7306(2) 0.04326(12) 0.31198(14) 0.0508(8) Uani 1 d . . .
O31 O 0.6791(2) 0.15768(11) 0.31541(12) 0.0375(7) Uani 1 d . . .
O40 O 0.9480(3) 0.13635(13) 0.40941(13) 0.0588(9) Uani 1 d . . .
O41 O 0.9321(2) 0.13549(12) 0.28423(12) 0.0401(7) Uani 1 d . . .
O50 O 1.0404(2) 0.24941(13) 0.36031(17) 0.0628(9) Uani 1 d . . .
O51 O 0.8102(2) 0.25884(12) 0.35141(12) 0.0409(6) Uani 1 d . . .
C11 C 1.0397(4) 0.1163(2) 0.0823(2) 0.0479(11) Uani 1 d . . .
C12 C 0.9969(4) 0.0661(2) 0.0410(2) 0.0660(15) Uani 1 d . . .
H12A H 0.9994 0.0753 -0.0019 0.079 Uiso 1 calc R . .
H12B H 1.0420 0.0322 0.0512 0.079 Uiso 1 calc R . .
C13 C 0.8765(4) 0.0580(2) 0.0543(2) 0.0507(12) Uani 1 d . . .
C14 C 0.7854(5) 0.0281(2) 0.0253(2) 0.0679(15) Uani 1 d . . .
H14 H 0.7916 0.0080 -0.0107 0.082 Uiso 1 calc R . .
C15 C 0.6848(4) 0.0287(2) 0.0509(2) 0.0660(15) Uani 1 d . . .
H15 H 0.6227 0.0083 0.0321 0.079 Uiso 1 calc R . .
C16 C 0.6737(4) 0.05917(19) 0.1045(2) 0.0495(11) Uani 1 d . . .
H16 H 0.6050 0.0581 0.1210 0.059 Uiso 1 calc R . .
C17 C 0.7636(3) 0.09103(17) 0.13346(18) 0.0373(10) Uani 1 d . . .
C18 C 0.8634(3) 0.08854(18) 0.10583(19) 0.0407(10) Uani 1 d . . .
C111 C 1.0275(5) 0.1723(2) 0.0491(3) 0.0797(17) Uani 1 d . . .
H11A H 0.9526 0.1750 0.0269 0.096 Uiso 1 calc R . .
H11B H 1.0835 0.1748 0.0210 0.096 Uiso 1 calc R . .
H11C H 1.0387 0.2029 0.0783 0.096 Uiso 1 calc R . .
C112 C 1.1548(4) 0.1076(3) 0.1157(3) 0.0798(17) Uani 1 d . . .
H11D H 1.1731 0.1389 0.1434 0.096 Uiso 1 calc R . .
H11E H 1.2097 0.1057 0.0870 0.096 Uiso 1 calc R . .
H11F H 1.1561 0.0727 0.1386 0.096 Uiso 1 calc R . .
C21 C 0.5939(5) 0.2260(2) 0.0336(2) 0.0621(14) Uani 1 d . . .
C22 C 0.5831(7) 0.2905(2) 0.0175(2) 0.095(2) Uani 1 d . . .
H22A H 0.6375 0.3015 -0.0100 0.114 Uiso 1 calc R . .
H22B H 0.5068 0.2995 -0.0015 0.114 Uiso 1 calc R . .
C23 C 0.6082(4) 0.3198(2) 0.0779(2) 0.0605(14) Uani 1 d . . .
C24 C 0.6090(5) 0.3767(2) 0.0948(3) 0.0689(15) Uani 1 d . . .
H24 H 0.5981 0.4053 0.0654 0.083 Uiso 1 calc R . .
C25 C 0.6265(4) 0.3900(2) 0.1564(3) 0.0621(14) Uani 1 d . . .
H25 H 0.6271 0.4281 0.1684 0.074 Uiso 1 calc R . .
C26 C 0.6434(4) 0.3472(2) 0.2012(2) 0.0543(12) Uani 1 d . . .
H26 H 0.6544 0.3573 0.2424 0.065 Uiso 1 calc R . .
C27 C 0.6438(3) 0.29019(18) 0.18469(19) 0.0411(10) Uani 1 d . . .
C28 C 0.6250(4) 0.2794(2) 0.1227(2) 0.0496(12) Uani 1 d . . .
C212 C 0.4861(5) 0.1943(3) 0.0173(2) 0.0855(18) Uani 1 d . . .
H21A H 0.4952 0.1557 0.0317 0.103 Uiso 1 calc R . .
H21B H 0.4671 0.1942 -0.0265 0.103 Uiso 1 calc R . .
H21C H 0.4260 0.2124 0.0359 0.103 Uiso 1 calc R . .
C211 C 0.6930(5) 0.1987(3) 0.0091(2) 0.0756(17) Uani 1 d . . .
H21D H 0.6992 0.1597 0.0225 0.091 Uiso 1 calc R . .
H21E H 0.7615 0.2188 0.0239 0.091 Uiso 1 calc R . .
H21F H 0.6819 0.1999 -0.0349 0.091 Uiso 1 calc R . .
C31 C 0.7244(4) -0.0196(2) 0.3129(3) 0.0615(14) Uani 1 d . . .
C32 C 0.6578(4) -0.0334(2) 0.3664(3) 0.0700(16) Uani 1 d . . .
H32A H 0.6023 -0.0633 0.3555 0.084 Uiso 1 calc R . .
H32B H 0.7085 -0.0453 0.4021 0.084 Uiso 1 calc R . .
C33 C 0.6002(4) 0.0219(2) 0.3780(2) 0.0519(12) Uani 1 d . . .
C34 C 0.5165(5) 0.0366(2) 0.4136(2) 0.0660(15) Uani 1 d . . .
H34 H 0.4822 0.0091 0.4358 0.079 Uiso 1 calc R . .
C35 C 0.4846(5) 0.0937(2) 0.4155(2) 0.0653(15) Uani 1 d . . .
H35 H 0.4275 0.1043 0.4389 0.078 Uiso 1 calc R . .
C36 C 0.5367(4) 0.1351(2) 0.3830(2) 0.0507(12) Uani 1 d . . .
H36 H 0.5135 0.1729 0.3849 0.061 Uiso 1 calc R . .
C37 C 0.6229(3) 0.12099(18) 0.34760(17) 0.0391(10) Uani 1 d . . .
C38 C 0.6482(3) 0.06343(19) 0.34627(19) 0.0415(10) Uani 1 d . . .
C311 C 0.8430(5) -0.0407(3) 0.3216(4) 0.139(4) Uani 1 d . . .
H31A H 0.8778 -0.0340 0.2850 0.167 Uiso 1 calc R . .
H31B H 0.8431 -0.0809 0.3300 0.167 Uiso 1 calc R . .
H31C H 0.8850 -0.0210 0.3553 0.167 Uiso 1 calc R . .
C312 C 0.6553(7) -0.0364(3) 0.2529(3) 0.101(2) Uani 1 d . . .
H31D H 0.5809 -0.0195 0.2506 0.121 Uiso 1 calc R . .
H31E H 0.6482 -0.0772 0.2509 0.121 Uiso 1 calc R . .
H31F H 0.6930 -0.0232 0.2193 0.121 Uiso 1 calc R . .
C41 C 0.9606(6) 0.1201(3) 0.4749(2) 0.0758(17) Uani 1 d . . .
C42 C 1.0684(6) 0.0818(3) 0.4818(3) 0.098(2) Uani 1 d . . .
H42A H 1.1344 0.1028 0.5004 0.118 Uiso 1 calc R . .
H42B H 1.0575 0.0485 0.5067 0.118 Uiso 1 calc R . .
C43 C 1.0822(4) 0.0650(2) 0.4174(3) 0.0677(15) Uani 1 d . . .
C44 C 1.1488(5) 0.0251(3) 0.3899(4) 0.093(2) Uani 1 d . . .
H44 H 1.1979 0.0008 0.4138 0.111 Uiso 1 calc R . .
C45 C 1.1402(5) 0.0225(3) 0.3270(4) 0.093(2) Uani 1 d . . .
H45 H 1.1836 -0.0041 0.3086 0.111 Uiso 1 calc R . .
C46 C 1.0689(4) 0.0583(2) 0.2907(3) 0.0645(15) Uani 1 d . . .
H46 H 1.0653 0.0556 0.2483 0.077 Uiso 1 calc R . .
C47 C 1.0020(3) 0.09869(18) 0.3161(2) 0.0424(11) Uani 1 d . . .
C48 C 1.0118(4) 0.09871(19) 0.3793(2) 0.0498(12) Uani 1 d . . .
C411 C 0.8547(6) 0.0874(3) 0.4844(3) 0.094(2) Uani 1 d . . .
H41A H 0.7889 0.1107 0.4722 0.113 Uiso 1 calc R . .
H41B H 0.8568 0.0775 0.5269 0.113 Uiso 1 calc R . .
H41C H 0.8506 0.0533 0.4600 0.113 Uiso 1 calc R . .
C412 C 0.9731(7) 0.1750(3) 0.5105(2) 0.113(3) Uani 1 d . . .
H41D H 1.0348 0.1968 0.4978 0.136 Uiso 1 calc R . .
H41E H 0.9887 0.1666 0.5535 0.136 Uiso 1 calc R . .
H41F H 0.9037 0.1965 0.5031 0.136 Uiso 1 calc R . .
C51 C 1.1644(4) 0.2581(3) 0.3604(3) 0.0714(15) Uani 1 d . . .
C52 C 1.1820(5) 0.3234(3) 0.3674(4) 0.120(3) Uani 1 d . . .
H52A H 1.2245 0.3326 0.4067 0.144 Uiso 1 calc R . .
H52B H 1.2225 0.3384 0.3350 0.144 Uiso 1 calc R . .
C53 C 1.0629(4) 0.3472(2) 0.3628(2) 0.0638(14) Uani 1 d . . .
C54 C 1.0214(5) 0.4013(3) 0.3627(3) 0.0729(16) Uani 1 d . . .
H54 H 1.0702 0.4326 0.3649 0.087 Uiso 1 calc R . .
C55 C 0.9037(5) 0.4086(2) 0.3592(2) 0.0677(15) Uani 1 d . . .
H55 H 0.8736 0.4453 0.3591 0.081 Uiso 1 calc R . .
C56 C 0.8307(4) 0.3617(2) 0.3558(2) 0.0537(12) Uani 1 d . . .
H56 H 0.7525 0.3678 0.3538 0.064 Uiso 1 calc R . .
C57 C 0.8714(4) 0.30638(18) 0.35535(18) 0.0387(10) Uani 1 d . . .
C58 C 0.9894(4) 0.3018(2) 0.3598(2) 0.0509(12) Uani 1 d . . .
C511 C 1.1924(5) 0.2362(4) 0.3007(3) 0.108(3) Uani 1 d . . .
H51A H 1.1680 0.1972 0.2957 0.129 Uiso 1 calc R . .
H51B H 1.2733 0.2383 0.2996 0.129 Uiso 1 calc R . .
H51C H 1.1542 0.2589 0.2681 0.129 Uiso 1 calc R . .
C512 C 1.2228(5) 0.2274(3) 0.4137(3) 0.091(2) Uani 1 d . . .
H51D H 1.2072 0.2460 0.4507 0.109 Uiso 1 calc R . .
H51E H 1.3035 0.2276 0.4116 0.109 Uiso 1 calc R . .
H51F H 1.1959 0.1888 0.4135 0.109 Uiso 1 calc R . .
N1 N 0.9299(4) 0.24510(18) 0.19331(19) 0.0600(11) Uani 1 d . . .
N2 N 0.4878(3) 0.13553(19) 0.19634(19) 0.0601(11) Uani 1 d . . .
N3 N 0.1793(9) 0.1841(4) 0.6314(5) 0.201(4) Uani 1 d . . .
N4 N 0.3622(8) -0.0053(5) 0.1433(6) 0.222(6) Uani 1 d . . .
C11N C 0.9287(4) 0.2932(2) 0.1924(2) 0.0514(12) Uani 1 d . . .
C12N C 0.9309(5) 0.3543(2) 0.1930(3) 0.0695(15) Uani 1 d . . .
H12A H 0.9284 0.3678 0.2341 0.083 Uiso 1 calc R . .
H12B H 0.8662 0.3687 0.1669 0.083 Uiso 1 calc R . .
H12C H 0.9997 0.3675 0.1783 0.083 Uiso 1 calc R . .
C21N C 0.4300(4) 0.1118(2) 0.2240(2) 0.0575(13) Uani 1 d . . .
C22N C 0.3552(5) 0.0804(3) 0.2598(3) 0.093(2) Uani 1 d . . .
H22A H 0.2925 0.1042 0.2676 0.112 Uiso 1 calc R . .
H22B H 0.3970 0.0689 0.2981 0.112 Uiso 1 calc R . .
H22C H 0.3268 0.0471 0.2375 0.112 Uiso 1 calc R . .
C31N C 0.2691(7) 0.2022(3) 0.6464(4) 0.121(3) Uani 1 d . . .
C32N C 0.3653(6) 0.2230(4) 0.6723(3) 0.142(4) Uani 1 d . . .
H32A H 0.4258 0.2117 0.6494 0.170 Uiso 1 calc R . .
H32B H 0.3803 0.2089 0.7134 0.170 Uiso 1 calc R . .
H32C H 0.3607 0.2639 0.6730 0.170 Uiso 1 calc R . .
C41N C 0.4132(9) -0.0360(4) 0.1237(5) 0.122(3) Uani 1 d . . .
C42N C 0.4815(10) -0.0766(3) 0.0996(4) 0.156(4) Uani 1 d . . .
H42A H 0.5056 -0.1045 0.1305 0.187 Uiso 1 calc R . .
H42B H 0.5472 -0.0583 0.0867 0.187 Uiso 1 calc R . .
H42C H 0.4389 -0.0951 0.0652 0.187 Uiso 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
Zn 0.0330(2) 0.0416(3) 0.0314(2) -0.0054(2) 0.00322(17) -0.0001(2)
Cl 0.0422(6) 0.0753(9) 0.0594(8) -0.0147(6) 0.0112(5) 0.0102(6)
Li1 0.048(4) 0.047(4) 0.037(4) 0.000(3) 0.008(3) -0.007(3)
Li2 0.049(4) 0.039(4) 0.040(4) 0.006(3) 0.002(3) 0.002(3)
Li3 0.044(4) 0.043(4) 0.038(4) 0.007(3) 0.012(3) -0.003(3)
Li4 0.066(5) 0.047(5) 0.044(4) 0.007(4) 0.005(4) 0.006(4)
O10 0.0424(17) 0.056(2) 0.0403(17) -0.0089(14) 0.0113(13) -0.0019(14)
O11 0.0420(15) 0.0394(16) 0.0291(15) -0.0027(12) 0.0048(12) 0.0019(13)
O20 0.111(3) 0.046(2) 0.0295(17) 0.0049(14) -0.0049(17) 0.0163(18)
O21 0.0589(18) 0.0406(18) 0.0320(15) 0.0037(14) 0.0049(12) 0.0018(14)
O30 0.0454(18) 0.0393(18) 0.070(2) 0.0158(15) 0.0167(16) 0.0013(14)
O31 0.0403(16) 0.0402(16) 0.0335(15) 0.0010(13) 0.0104(12) -0.0088(13)
O40 0.094(3) 0.047(2) 0.0326(17) 0.0070(14) -0.0022(16) 0.0085(18)
O41 0.0349(15) 0.0502(18) 0.0351(15) 0.0049(13) 0.0039(12) 0.0037(13)
O50 0.0344(16) 0.053(2) 0.101(3) 0.0059(19) 0.0082(16) -0.0032(15)
O51 0.0352(14) 0.0419(17) 0.0449(16) -0.0044(14) 0.0022(12) -0.0041(13)
C11 0.042(2) 0.061(3) 0.043(3) -0.002(2) 0.016(2) 0.005(2)
C12 0.060(3) 0.088(4) 0.052(3) -0.022(3) 0.018(2) 0.005(3)
C13 0.053(3) 0.052(3) 0.047(3) -0.015(2) 0.007(2) 0.008(2)
C14 0.073(4) 0.073(4) 0.060(3) -0.030(3) 0.014(3) -0.002(3)
C15 0.061(3) 0.071(4) 0.065(3) -0.031(3) 0.005(3) -0.015(3)
C16 0.054(3) 0.050(3) 0.046(3) -0.007(2) 0.009(2) -0.010(2)
C17 0.043(2) 0.034(2) 0.034(2) 0.0017(19) 0.0017(19) 0.0030(19)
C18 0.040(2) 0.044(3) 0.037(2) -0.004(2) 0.0024(19) 0.007(2)
C111 0.088(4) 0.086(4) 0.072(4) 0.022(3) 0.040(3) 0.010(3)
C112 0.050(3) 0.120(5) 0.072(4) -0.003(4) 0.016(3) 0.011(3)
C21 0.092(4) 0.068(4) 0.025(2) 0.012(2) 0.003(2) 0.021(3)
C22 0.157(7) 0.077(4) 0.048(3) 0.018(3) 0.003(4) 0.042(4)
C23 0.073(4) 0.055(3) 0.053(3) 0.018(3) 0.004(3) 0.015(3)
C24 0.073(4) 0.056(4) 0.078(4) 0.024(3) 0.008(3) 0.012(3)
C25 0.061(3) 0.036(3) 0.088(4) 0.008(3) 0.005(3) 0.004(2)
C26 0.053(3) 0.048(3) 0.059(3) -0.001(2) -0.002(2) -0.002(2)
C27 0.041(2) 0.042(3) 0.040(2) 0.006(2) 0.0022(19) 0.0064(19)
C28 0.060(3) 0.044(3) 0.044(3) 0.008(2) 0.003(2) 0.010(2)
C212 0.081(4) 0.124(5) 0.049(3) 0.000(3) -0.001(3) 0.008(4)
C211 0.081(4) 0.099(5) 0.047(3) 0.029(3) 0.011(3) 0.015(3)
C31 0.055(3) 0.039(3) 0.093(4) 0.016(3) 0.018(3) 0.005(2)
C32 0.065(3) 0.054(3) 0.092(4) 0.028(3) 0.011(3) -0.002(3)
C33 0.050(3) 0.053(3) 0.051(3) 0.011(2) 0.001(2) -0.017(2)
C34 0.077(4) 0.075(4) 0.050(3) 0.004(3) 0.025(3) -0.028(3)
C35 0.078(4) 0.071(4) 0.053(3) -0.018(3) 0.032(3) -0.024(3)
C36 0.064(3) 0.047(3) 0.046(3) -0.016(2) 0.022(2) -0.016(2)
C37 0.043(2) 0.047(3) 0.026(2) -0.0039(19) -0.0018(18) -0.015(2)
C38 0.039(2) 0.044(3) 0.040(2) 0.005(2) 0.0012(19) -0.006(2)
C311 0.069(4) 0.061(4) 0.297(12) 0.080(6) 0.061(6) 0.024(3)
C312 0.148(7) 0.061(4) 0.097(5) -0.003(4) 0.026(5) -0.018(4)
C41 0.114(5) 0.072(4) 0.035(3) 0.017(3) -0.013(3) -0.010(4)
C42 0.110(5) 0.099(5) 0.073(4) 0.039(4) -0.040(4) -0.024(4)
C43 0.053(3) 0.067(4) 0.079(4) 0.036(3) -0.011(3) -0.003(3)
C44 0.049(3) 0.088(5) 0.142(6) 0.075(5) 0.015(4) 0.019(3)
C45 0.073(4) 0.068(4) 0.149(7) 0.053(4) 0.062(4) 0.029(3)
C46 0.055(3) 0.059(3) 0.087(4) 0.017(3) 0.038(3) 0.008(3)
C47 0.032(2) 0.034(2) 0.061(3) 0.006(2) 0.007(2) -0.0015(19)
C48 0.047(3) 0.045(3) 0.054(3) 0.014(2) -0.007(2) -0.003(2)
C411 0.121(5) 0.102(5) 0.055(4) 0.031(3) -0.005(3) -0.023(4)
C412 0.184(8) 0.117(6) 0.036(3) -0.009(3) 0.008(4) -0.045(5)
C51 0.033(2) 0.091(4) 0.089(4) 0.001(3) 0.003(2) -0.013(3)
C52 0.052(4) 0.100(5) 0.208(9) 0.006(5) 0.022(4) -0.027(4)
C53 0.056(3) 0.059(4) 0.076(4) 0.004(3) 0.009(3) -0.019(3)
C54 0.077(4) 0.066(4) 0.075(4) -0.009(3) 0.010(3) -0.032(3)
C55 0.093(4) 0.043(3) 0.066(4) -0.009(3) 0.004(3) -0.009(3)
C56 0.055(3) 0.052(3) 0.054(3) -0.013(2) 0.004(2) -0.005(2)
C57 0.044(2) 0.040(3) 0.032(2) -0.0036(19) 0.0039(18) -0.007(2)
C58 0.047(3) 0.055(3) 0.050(3) 0.002(2) 0.002(2) -0.013(2)
C511 0.050(3) 0.193(8) 0.081(4) -0.005(5) 0.014(3) -0.034(4)
C512 0.049(3) 0.131(6) 0.086(4) 0.000(4) -0.016(3) -0.007(3)
N1 0.067(3) 0.048(3) 0.063(3) 0.006(2) 0.006(2) -0.005(2)
N2 0.052(3) 0.068(3) 0.060(3) -0.006(2) 0.007(2) -0.006(2)
N3 0.187(9) 0.159(8) 0.236(10) 0.016(7) -0.055(8) -0.050(7)
N4 0.139(8) 0.164(9) 0.341(15) -0.131(9) -0.067(8) 0.021(6)
C11N 0.049(3) 0.054(3) 0.053(3) 0.003(3) 0.013(2) -0.004(2)
C12N 0.071(4) 0.045(3) 0.097(4) 0.003(3) 0.031(3) -0.003(3)
C21N 0.040(3) 0.074(4) 0.057(3) -0.010(3) 0.000(2) -0.004(3)
C22N 0.060(4) 0.148(6) 0.070(4) 0.013(4) 0.003(3) -0.036(4)
C31N 0.085(5) 0.081(5) 0.180(8) 0.022(5) -0.059(5) -0.018(4)
C32N 0.078(5) 0.250(11) 0.097(6) -0.014(6) 0.012(4) -0.057(6)
C41N 0.128(8) 0.078(6) 0.149(8) -0.024(6) -0.034(6) -0.023(5)
C42N 0.250(12) 0.076(6) 0.138(8) 0.016(5) 0.011(8) -0.041(7)
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
Zn O21 1.934(3) . ?
Zn O51 1.945(3) . ?
Zn O31 1.972(3) . ?
Zn Cl 2.2231(12) . ?
Zn Li4 3.078(8) . ?
Zn Li2 3.296(7) . ?
Li1 O41 1.889(7) . ?
Li1 O11 1.993(7) . ?
Li1 O10 2.006(7) . ?
Li1 N1 2.018(8) . ?
Li1 Li3 2.564(9) . ?
Li1 C18 2.698(8) . ?
Li1 C17 2.700(8) . ?
Li1 Li2 3.280(10) . ?
Li1 Li4 3.287(10) . ?
Li2 O11 1.888(7) . ?
Li2 O21 1.925(8) . ?
Li2 O20 2.005(7) . ?
Li2 N2 2.053(8) . ?
Li2 C27 2.700(8) . ?
Li2 C28 2.713(8) . ?
Li2 C17 2.741(8) . ?
Li2 Li3 2.879(10) . ?
Li3 O11 1.890(7) . ?
Li3 O41 1.927(7) . ?
Li3 O30 1.960(7) . ?
Li3 O31 1.983(7) . ?
Li3 C38 2.667(8) . ?
Li3 C37 2.682(8) . ?
Li3 C47 2.766(8) . ?
Li3 Li4 2.881(11) . ?
Li4 O51 1.881(8) . ?
Li4 O40 1.960(8) . ?
Li4 O41 1.988(8) . ?
Li4 O50 2.106(9) . ?
Li4 C48 2.636(9) . ?
Li4 C47 2.643(9) . ?
Li4 C57 2.682(9) . ?
Li4 C58 2.753(9) . ?
O10 C18 1.372(5) . ?
O10 C11 1.487(5) . ?
O11 C17 1.334(5) . ?
O20 C28 1.373(5) . ?
O20 C21 1.490(5) . ?
O21 C27 1.335(5) . ?
O30 C38 1.385(5) . ?
O30 C31 1.476(5) . ?
O31 C37 1.340(5) . ?
O40 C48 1.381(6) . ?
O40 C41 1.479(5) . ?
O41 C47 1.334(5) . ?
O50 C58 1.368(5) . ?
O50 C51 1.479(5) . ?
O51 C57 1.326(5) . ?
C11 C112 1.481(6) . ?
C11 C111 1.498(7) . ?
C11 C12 1.533(7) . ?
C12 C13 1.498(6) . ?
C13 C18 1.365(6) . ?
C13 C14 1.375(6) . ?
C14 C15 1.376(7) . ?
C15 C16 1.395(6) . ?
C16 C17 1.389(6) . ?
C17 C18 1.391(6) . ?
C21 C212 1.482(8) . ?
C21 C211 1.491(7) . ?
C21 C22 1.553(7) . ?
C22 C23 1.492(7) . ?
C23 C28 1.364(6) . ?
C23 C24 1.383(7) . ?
C24 C25 1.380(7) . ?
C25 C26 1.402(7) . ?
C26 C27 1.385(6) . ?
C27 C28 1.376(6) . ?
C31 C311 1.476(7) . ?
C31 C312 1.517(8) . ?
C31 C32 1.525(7) . ?
C32 C33 1.501(7) . ?
C33 C38 1.359(6) . ?
C33 C34 1.377(7) . ?
C34 C35 1.392(7) . ?
C35 C36 1.392(6) . ?
C36 C37 1.394(6) . ?
C37 C38 1.383(6) . ?
C41 C411 1.503(8) . ?
C41 C412 1.504(8) . ?
C41 C42 1.550(9) . ?
C42 C43 1.498(8) . ?
C43 C48 1.360(6) . ?
C43 C44 1.405(9) . ?
C44 C45 1.374(9) . ?
C45 C46 1.375(7) . ?
C46 C47 1.392(6) . ?
C47 C48 1.378(6) . ?
C51 C512 1.472(8) . ?
C51 C511 1.483(8) . ?
C51 C52 1.550(8) . ?
C52 C53 1.506(8) . ?
C53 C54 1.359(7) . ?
C53 C58 1.371(6) . ?
C54 C55 1.394(8) . ?
C55 C56 1.394(6) . ?
C56 C57 1.384(6) . ?
C57 C58 1.390(6) . ?
N1 C11N 1.126(6) . ?
N2 C21N 1.116(6) . ?
N3 C31N 1.153(10) . ?
N4 C41N 1.062(11) . ?
C11N C12N 1.434(7) . ?
C21N C22N 1.453(7) . ?
C31N C32N 1.303(9) . ?
C41N C42N 1.393(12) . ?
_cod_database_code 7051291