#------------------------------------------------------------------------------
#$Date: 2017-02-14 16:57:15 +0200 (Tue, 14 Feb 2017) $
#$Revision: 192093 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/06/24/4062427.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_4062427
loop_
_publ_author_name
'Xie, Yong-Rong'
'Wang, Xi-Sen'
'Zhao, Hong'
'Zhang, Jing'
'Weng, Ling-Hong'
'Duan, Cun-Ying'
'Xiong, Ren-Gen'
'You, Xiao-Zeng'
'Xue, Zi-Ling'
_publ_section_title
;
 Unprecedented Homochiral Olefin-Copper(I) 2D Coordination Polymer Grid
 Based on Chiral Ammonium Salts as Building Blocks
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              4396
_journal_page_last               4398
_journal_paper_doi               10.1021/om034077i
_journal_volume                  22
_journal_year                    2003
_chemical_formula_sum            'C29 H34 Cl3.5 Cu2.5 N2 O1.5'
_chemical_formula_weight         717.51
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 113.2880(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.0169(17)
_cell_length_b                   11.4733(8)
_cell_length_c                   23.0113(16)
_cell_measurement_temperature    293(2)
_cell_volume                     5824.2(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.637
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C29 H34 Cl3.50 Cu2.50 N2 O1.50'
_cod_database_code               4062427
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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
Cu1 Cu 0.11482(4) 0.60315(10) 0.16781(5) 0.0785(3) Uani 1 1 d . . .
Cu2 Cu -0.02154(4) 0.53192(9) 0.12046(4) 0.0714(3) Uani 1 1 d . . .
Cu3 Cu 0.0000 0.56892(14) 0.0000 0.0888(6) Uani 1 2 d S . .
Cl1 Cl 0.04585(8) 0.6348(2) 0.20350(8) 0.0704(6) Uani 1 1 d . . .
Cl2 Cl -0.06533(8) 0.66946(17) 0.03574(9) 0.0627(6) Uani 1 1 d . . .
Cl3 Cl 0.05445(7) 0.43987(16) 0.08509(8) 0.0551(6) Uani 1 1 d . . .
N1 N 0.1890(2) 0.5978(5) 0.1540(2) 0.0559(17) Uani 1 1 d . . .
N2 N 0.4345(2) 0.5980(5) 0.0909(2) 0.0443(15) Uani 1 1 d . . .
O1 O 0.33328(19) 0.4371(4) 0.0695(2) 0.0644(15) Uani 1 1 d . . .
H1B H 0.3638 0.4200 0.0636 0.097 Uiso 1 1 calc R . .
C1 C 0.1872(3) 0.5605(7) 0.1019(3) 0.066(3) Uani 1 1 d . . .
H1A H 0.1489 0.5513 0.0698 0.080 Uiso 1 1 calc R . .
C2 C 0.2364(2) 0.5317(7) 0.0871(3) 0.056(2) Uani 1 1 d . . .
H2A H 0.2314 0.4975 0.0487 0.068 Uiso 1 1 calc R . .
C3 C 0.2930(2) 0.5567(6) 0.1329(3) 0.0437(19) Uani 1 1 d . . .
C4 C 0.2983(3) 0.6057(6) 0.1880(3) 0.0437(19) Uani 1 1 d . . .
C5 C 0.3548(3) 0.6365(6) 0.2377(3) 0.059(2) Uani 1 1 d . . .
H5A H 0.3906 0.6255 0.2319 0.071 Uiso 1 1 calc R . .
C6 C 0.3569(3) 0.6822(7) 0.2939(4) 0.075(3) Uani 1 1 d . . .
H6A H 0.3941 0.6991 0.3263 0.090 Uiso 1 1 calc R . .
C7 C 0.3025(4) 0.7032(7) 0.3020(4) 0.077(3) Uani 1 1 d . . .
H7A H 0.3041 0.7355 0.3397 0.092 Uiso 1 1 calc R . .
C8 C 0.2480(3) 0.6767(7) 0.2555(4) 0.068(3) Uani 1 1 d . . .
H8A H 0.2125 0.6903 0.2615 0.081 Uiso 1 1 calc R . .
C9 C 0.2453(3) 0.6297(6) 0.1994(3) 0.046(2) Uani 1 1 d . . .
C10 C 0.3478(3) 0.5175(6) 0.1171(3) 0.052(2) Uani 1 1 d . . .
H10A H 0.3776 0.4813 0.1553 0.062 Uiso 1 1 calc R . .
C11 C 0.3775(2) 0.6281(6) 0.1033(3) 0.056(2) Uani 1 1 d . . .
H11A H 0.3899 0.6784 0.1407 0.067 Uiso 1 1 calc R . .
C12 C 0.4652(3) 0.7185(6) 0.0964(3) 0.056(2) Uani 1 1 d . . .
H12A H 0.4815 0.7425 0.1404 0.067 Uiso 1 1 calc R . .
H12B H 0.4990 0.7106 0.0837 0.067 Uiso 1 1 calc R . .
C13 C 0.4233(3) 0.8135(5) 0.0569(3) 0.054(2) Uani 1 1 d D . .
H13A H 0.4430 0.8502 0.0315 0.065 Uiso 1 1 calc R . .
C14 C 0.4084(3) 0.9053(5) 0.0920(2) 0.060(2) Uani 1 1 d D . .
H14A H 0.3826 0.9628 0.0674 0.072 Uiso 1 1 calc R . .
C15 C 0.4257(3) 0.9185(7) 0.1520(3) 0.061(2) Uani 1 1 d D . .
H15A H 0.4523 0.8626 0.1807 0.073 Uiso 1 1 d R . .
H15B H 0.4118 0.9846 0.1680 0.073 Uiso 1 1 d R . .
C16 C 0.3648(3) 0.7513(7) 0.0104(3) 0.058(2) Uani 1 1 d . . .
H16A H 0.3382 0.8069 -0.0205 0.070 Uiso 1 1 calc R . .
C17 C 0.3331(3) 0.6974(6) 0.0466(3) 0.048(2) Uani 1 1 d . . .
H17A H 0.3018 0.6457 0.0192 0.057 Uiso 1 1 calc R . .
H17B H 0.3138 0.7576 0.0616 0.057 Uiso 1 1 calc R . .
C18 C 0.3860(3) 0.6526(6) -0.0239(4) 0.069(3) Uani 1 1 d . . .
H18A H 0.3513 0.6212 -0.0587 0.083 Uiso 1 1 calc R . .
H18B H 0.4138 0.6849 -0.0409 0.083 Uiso 1 1 calc R . .
C19 C 0.4166(3) 0.5585(7) 0.0218(3) 0.067(2) Uani 1 1 d . . .
H19A H 0.4527 0.5341 0.0159 0.081 Uiso 1 1 calc R . .
H19B H 0.3897 0.4918 0.0135 0.081 Uiso 1 1 calc R . .
C20 C 0.4743(3) 0.5138(6) 0.1364(3) 0.049(2) Uani 1 1 d . . .
H20A H 0.4531 0.4399 0.1297 0.059 Uiso 1 1 calc R . .
H20B H 0.4806 0.5402 0.1786 0.059 Uiso 1 1 calc R . .
C21 C 0.5346(3) 0.4923(5) 0.1348(3) 0.051(2) Uani 1 1 d . . .
C22 C 0.5441(3) 0.4076(7) 0.0987(3) 0.063(2) Uani 1 1 d . . .
H22A H 0.5104 0.3666 0.0716 0.076 Uiso 1 1 calc R . .
C23 C 0.6025(3) 0.3760(6) 0.0991(3) 0.063(2) Uani 1 1 d . . .
H23A H 0.6074 0.3170 0.0738 0.075 Uiso 1 1 calc R . .
C24 C 0.6519(3) 0.4424(8) 0.1413(4) 0.076(3) Uani 1 1 d . B .
C25 C 0.6422(3) 0.5264(7) 0.1775(4) 0.077(3) Uani 1 1 d . . .
H25A H 0.6751 0.5693 0.2046 0.092 Uiso 1 1 calc R . .
C26 C 0.5846(3) 0.5511(7) 0.1759(4) 0.074(3) Uani 1 1 d . . .
H26A H 0.5800 0.6076 0.2026 0.089 Uiso 1 1 calc R . .
C27 C 0.7130(3) 0.4203(7) 0.1427(3) 0.097(3) Uani 1 1 d DU . .
H27B H 0.7091 0.3514 0.1176 0.116 Uiso 0.35 1 d PR A 2
H27A H 0.7455 0.4496 0.1797 0.116 Uiso 0.65 1 d PR A 1
C28 C 0.7293(5) 0.3828(13) 0.1056(5) 0.107(5) Uiso 0.65 1 d PD B 1
H28A H 0.7664 0.3945 0.1025 0.129 Uiso 0.65 1 d PR B 1
H28B H 0.7009 0.3325 0.0776 0.129 Uiso 0.65 1 d PR B 1
C28' C 0.7620(4) 0.450(2) 0.1543(12) 0.110(10) Uiso 0.35 1 d PD B 2
H28C H 0.7818 0.4271 0.1286 0.132 Uiso 0.35 1 calc PR B 2
H28D H 0.7819 0.4973 0.1893 0.132 Uiso 0.35 1 calc PR B 2
Cu4 Cu -0.08595(5) 0.90598(14) 0.33579(8) 0.1211(5) Uani 0.85 1 d PU . .
Cu5 Cu 0.03657(8) 1.0024(2) 0.32505(9) 0.1075(7) Uani 0.65 1 d PU . 1
Cl4 Cl -0.04947(10) 0.8685(2) 0.26599(12) 0.1035(8) Uani 1 1 d U . .
Cl5 Cl -0.00335(12) 1.0249(3) 0.41474(14) 0.1376(11) Uani 1 1 d U . .
Cl6 Cl 0.02046(11) 1.2000(2) 0.28299(12) 0.0984(9) Uani 1 1 d U . .
Cu6 Cu 0.06232(13) 1.1848(3) 0.39715(14) 0.0878(10) Uani 0.40 1 d PU . 1
Cu6' Cu 0.0805(3) 1.1816(7) 0.3645(3) 0.105(2) Uani 0.20 1 d PU . 2
Cl7 Cl 0.13533(18) 1.2367(4) 0.4830(2) 0.0769(15) Uani 0.50 1 d PU . 1
Cu7 Cu 0.00502(11) 0.8988(3) 0.48261(13) 0.1111(15) Uani 0.40 1 d PU . 2
Cl7' Cl -0.02793(19) 0.7575(5) 0.4516(2) 0.1067(18) Uani 0.50 1 d PU . 2
O2 O -0.2948(2) 0.9389(6) 0.4699(2) 0.095(2) Uani 1 1 d . . .
H2B H -0.2780 0.8754 0.4799 0.142 Uiso 1 1 calc R . .
N3 N -0.1586(2) 0.9219(6) 0.3539(3) 0.081(2) Uani 1 1 d . . .
N4 N -0.4051(2) 1.0845(6) 0.3926(2) 0.0585(19) Uani 1 1 d . . .
C29 C -0.1562(3) 0.9591(6) 0.4077(4) 0.064(3) Uani 1 1 d . . .
H29A H -0.1181 0.9803 0.4372 0.077 Uiso 1 1 calc R . .
C30 C -0.2030(3) 0.9707(6) 0.4259(3) 0.065(2) Uani 1 1 d . . .
H30A H -0.1959 0.9967 0.4664 0.078 Uiso 1 1 calc R . .
C31 C -0.2606(3) 0.9444(7) 0.3849(3) 0.063(2) Uani 1 1 d . . .
C32 C -0.2672(3) 0.9005(6) 0.3227(3) 0.053(2) Uani 1 1 d . . .
C33 C -0.3244(4) 0.8657(7) 0.2742(4) 0.088(3) Uani 1 1 d . . .
H33A H -0.3600 0.8723 0.2809 0.105 Uiso 1 1 calc R . .
C34 C -0.3258(4) 0.8213(8) 0.2160(4) 0.086(3) Uani 1 1 d . . .
H34A H -0.3627 0.7992 0.1847 0.104 Uiso 1 1 calc R . .
C35 C -0.2744(4) 0.8104(8) 0.2050(4) 0.090(3) Uani 1 1 d . . .
H35A H -0.2756 0.7794 0.1671 0.109 Uiso 1 1 calc R . .
C36 C -0.2251(4) 0.8433(7) 0.2475(4) 0.072(3) Uani 1 1 d . . .
H36A H -0.1907 0.8362 0.2384 0.087 Uiso 1 1 calc R . .
C37 C -0.2162(3) 0.8892(7) 0.3065(4) 0.065(2) Uani 1 1 d . . .
C38 C -0.3145(3) 0.9545(8) 0.4033(3) 0.068(3) Uani 1 1 d . . .
H38A H -0.3435 0.8927 0.3818 0.082 Uiso 1 1 calc R . .
C39 C -0.3459(3) 1.0724(7) 0.3828(3) 0.061(3) Uani 1 1 d . . .
H39A H -0.3559 1.0806 0.3374 0.073 Uiso 1 1 calc R . .
C40 C -0.3057(3) 1.1762(8) 0.4159(4) 0.084(3) Uani 1 1 d . . .
H40A H -0.2672 1.1475 0.4460 0.100 Uiso 1 1 calc R . .
H40B H -0.2979 1.2225 0.3847 0.100 Uiso 1 1 calc R . .
C41 C -0.3336(3) 1.2513(7) 0.4493(3) 0.058(2) Uani 1 1 d . . .
H41A H -0.3049 1.3131 0.4716 0.070 Uiso 1 1 calc R . .
C42 C -0.3903(3) 1.3067(6) 0.3998(3) 0.073(3) Uani 1 1 d D . .
H42A H -0.4116 1.3456 0.4230 0.087 Uiso 1 1 calc R . .
C43 C -0.3841(4) 1.3932(5) 0.3555(3) 0.098(3) Uani 1 1 d D . .
H43B H -0.3836 1.3564 0.3183 0.118 Uiso 0.50 1 d PR C 2
H43A H -0.3732 1.4690 0.3743 0.118 Uiso 0.50 1 d PR C 1
C44 C -0.3909(8) 1.394(2) 0.2982(4) 0.132(8) Uiso 0.50 1 d PD . 1
H44A H -0.3913 1.3133 0.2879 0.158 Uiso 0.50 1 d PR . 1
H44B H -0.3887 1.4525 0.2692 0.158 Uiso 0.50 1 d PR . 1
C44' C -0.3813(11) 1.5039(8) 0.3510(12) 0.164(10) Uiso 0.50 1 d PD . 2
H44C H -0.3924 1.5456 0.3811 0.196 Uiso 0.50 1 d PR . 2
H44D H -0.3763 1.5450 0.3171 0.196 Uiso 0.50 1 d PR . 2
C45 C -0.4302(3) 1.2013(7) 0.3650(3) 0.059(2) Uani 1 1 d . . .
H45A H -0.4701 1.2102 0.3657 0.071 Uiso 1 1 calc R . .
H45B H -0.4352 1.2028 0.3210 0.071 Uiso 1 1 calc R . .
C46 C -0.3935(3) 1.0835(8) 0.4634(3) 0.077(3) Uani 1 1 d . . .
H46A H -0.4313 1.0966 0.4684 0.093 Uiso 1 1 calc R . .
H46B H -0.3777 1.0081 0.4815 0.093 Uiso 1 1 calc R . .
C47 C -0.3479(4) 1.1793(9) 0.4977(4) 0.086(3) Uani 1 1 d U . .
H47A H -0.3110 1.1445 0.5278 0.104 Uiso 1 1 calc R . .
H47B H -0.3647 1.2293 0.5207 0.104 Uiso 1 1 calc R . .
C48 C -0.4470(3) 0.9857(7) 0.3583(3) 0.057(2) Uani 1 1 d . . .
H48A H -0.4295 0.9127 0.3786 0.069 Uiso 1 1 calc R . .
H48B H -0.4500 0.9828 0.3151 0.069 Uiso 1 1 calc R . .
C49 C -0.5119(3) 0.9975(8) 0.3575(3) 0.069(3) Uani 1 1 d . D .
C50 C -0.5251(3) 0.9354(7) 0.4023(4) 0.083(3) Uani 1 1 d . . .
H50A H -0.4956 0.8897 0.4322 0.100 Uiso 1 1 calc R . .
C51 C -0.5830(3) 0.9423(8) 0.4018(4) 0.076(3) Uani 1 1 d . D .
H51A H -0.5919 0.9006 0.4318 0.092 Uiso 1 1 calc R . .
C52 C -0.6247(3) 1.0048(9) 0.3612(4) 0.080(3) Uani 1 1 d D . .
C53 C -0.6118(3) 1.0594(8) 0.3170(4) 0.083(3) Uani 1 1 d U D .
H53A H -0.6419 1.1038 0.2869 0.099 Uiso 1 1 calc R . .
C54 C -0.5555(3) 1.0529(8) 0.3139(3) 0.072(3) Uani 1 1 d . . .
H54A H -0.5490 1.0881 0.2807 0.086 Uiso 1 1 calc R D .
C55 C -0.6810(3) 1.0085(11) 0.3689(5) 0.100(5) Uiso 0.65 1 d PD D 1
H55A H -0.6840 0.9620 0.4006 0.120 Uiso 0.65 1 calc PR D 1
C56 C -0.7231(5) 1.0635(11) 0.3396(7) 0.119(6) Uiso 0.65 1 d PD D 1
H56A H -0.7224 1.1114 0.3073 0.143 Uiso 0.65 1 calc PR D 1
H56B H -0.7578 1.0598 0.3483 0.143 Uiso 0.65 1 calc PR D 1
C55' C -0.6893(3) 1.002(3) 0.3395(6) 0.116(11) Uiso 0.35 1 d PD D 2
H55B H -0.7126 1.0204 0.2974 0.139 Uiso 0.35 1 calc PR D 2
C56' C -0.7137(8) 0.979(3) 0.3722(8) 0.123(11) Uiso 0.35 1 d PD D 2
H56C H -0.6913 0.9608 0.4145 0.147 Uiso 0.35 1 calc PR D 2
H56D H -0.7558 0.9785 0.3564 0.147 Uiso 0.35 1 calc PR D 2
C57 C -0.1317(3) 0.7237(10) 0.1249(3) 0.137(4) Uiso 1 1 d DU . .
H57A H -0.1075 0.6602 0.1193 0.164 Uiso 1 1 calc R . .
H57B H -0.1311 0.7896 0.0987 0.164 Uiso 1 1 calc R . .
O3 O -0.1149(4) 0.7548(9) 0.1900(3) 0.202(4) Uiso 1 1 d DU . .
H3A H -0.0835 0.7147 0.2106 0.242 Uiso 1 1 d R . .
C58 C -0.1921(3) 0.6884(11) 0.1156(5) 0.164(5) Uiso 1 1 d DU . .
H58A H -0.2133 0.6628 0.0727 0.246 Uiso 1 1 calc R . .
H58B H -0.2132 0.7531 0.1239 0.246 Uiso 1 1 calc R . .
H58C H -0.1901 0.6257 0.1440 0.246 Uiso 1 1 calc R . .
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
Cu1 N1 1.931(5) . ?
Cu1 Cl1 2.151(2) . ?
Cu1 Cl3 2.656(2) . ?
Cu2 C14 2.121(6) 3_445 ?
Cu2 C15 2.133(7) 3_445 ?
Cu2 Cl1 2.284(2) . ?
Cu2 Cl2 2.403(2) . ?
Cu2 Cl3 2.507(2) . ?
Cu2 Cu3 3.0440(11) . ?
Cu3 Cl2 2.343(2) 2 ?
Cu3 Cl2 2.343(2) . ?
Cu3 Cl3 2.390(2) 2 ?
Cu3 Cl3 2.390(2) . ?
Cu3 Cu2 3.0440(11) 2 ?
N1 C1 1.258(9) . ?
N1 C9 1.391(7) . ?
N2 C20 1.467(8) . ?
N2 C19 1.541(8) . ?
N2 C11 1.544(8) . ?
N2 C12 1.549(8) . ?
O1 C10 1.366(8) . ?
O1 H1B 0.8200 . ?
C1 C2 1.391(10) . ?
C1 H1A 0.9300 . ?
C2 C3 1.381(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.347(9) . ?
C3 C10 1.564(9) . ?
C4 C9 1.423(9) . ?
C4 C5 1.431(8) . ?
C5 C6 1.377(10) . ?
C5 H5A 0.9300 . ?
C6 C7 1.412(11) . ?
C6 H6A 0.9300 . ?
C7 C8 1.359(10) . ?
C7 H7A 0.9300 . ?
C8 C9 1.377(10) . ?
C8 H8A 0.9300 . ?
C10 C11 1.549(9) . ?
C10 H10A 0.9800 . ?
C11 C17 1.540(8) . ?
C11 H11A 0.9800 . ?
C12 C13 1.518(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.456(8) . ?
C13 C16 1.563(8) . ?
C13 H13A 0.9800 . ?
C14 C15 1.283(7) . ?
C14 Cu2 2.121(6) 3 ?
C14 H14A 0.9300 . ?
C15 Cu2 2.133(7) 3 ?
C15 H15A 0.9600 . ?
C15 H15B 0.9601 . ?
C16 C17 1.467(10) . ?
C16 C18 1.575(11) . ?
C16 H16A 0.9800 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 C19 1.484(10) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.484(9) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.355(10) . ?
C21 C26 1.375(9) . ?
C22 C23 1.447(10) . ?
C22 H22A 0.9300 . ?
C23 C24 1.420(10) . ?
C23 H23A 0.9300 . ?
C24 C25 1.354(11) . ?
C24 C27 1.478(10) . ?
C25 C26 1.397(10) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 C28' 1.151(10) . ?
C27 C28 1.154(10) . ?
C27 H27B 0.9600 . ?
C27 H27A 0.9600 . ?
C28 H27B 0.7422 . ?
C28 H28A 0.9296 . ?
C28 H28B 0.9298 . ?
C28' H27A 0.8272 . ?
C28' H28A 1.3911 . ?
C28' H28C 0.9300 . ?
C28' H28D 0.9300 . ?
Cu4 N3 1.956(6) . ?
Cu4 Cl4 2.155(3) . ?
Cu4 Cl5 2.500(3) . ?
Cu5 C43 2.153(8) 3_545 ?
Cu5 Cl6 2.434(3) . ?
Cu5 C44 2.41(2) 3_545 ?
Cu5 Cl4 2.502(3) . ?
Cu5 Cu6 2.589(4) . ?
Cu5 Cl5 2.610(4) . ?
Cl5 Cu7 2.079(5) . ?
Cl5 Cu6 2.554(5) . ?
Cl6 Cu6' 1.871(7) . ?
Cl6 Cu6 2.419(4) . ?
Cu6 Cl7 2.142(5) . ?
Cu6' C44' 2.306(18) 3_545 ?
Cu7 Cu7 0.923(6) 2_556 ?
Cu7 Cl7' 1.822(7) . ?
Cu7 Cl7' 2.137(6) 2_556 ?
Cl7' Cl7' 2.099(10) 2_556 ?
Cl7' Cu7 2.137(6) 2_556 ?
O2 C38 1.425(8) . ?
O2 H2B 0.8200 . ?
N3 C29 1.289(10) . ?
N3 C37 1.432(9) . ?
N4 C45 1.503(9) . ?
N4 C48 1.514(9) . ?
N4 C39 1.533(8) . ?
N4 C46 1.540(8) . ?
C29 C30 1.352(11) . ?
C29 H29A 0.9300 . ?
C30 C31 1.365(9) . ?
C30 H30A 0.9300 . ?
C31 C32 1.465(10) . ?
C31 C38 1.519(10) . ?
C32 C37 1.419(10) . ?
C32 C33 1.442(10) . ?
C33 C34 1.421(12) . ?
C33 H33A 0.9300 . ?
C34 C35 1.360(13) . ?
C34 H34A 0.9300 . ?
C35 C36 1.260(11) . ?
C35 H35A 0.9300 . ?
C36 C37 1.393(10) . ?
C36 H36A 0.9300 . ?
C38 C39 1.529(11) . ?
C38 H38A 0.9800 . ?
C39 C40 1.532(10) . ?
C39 H39A 0.9800 . ?
C40 C41 1.479(11) . ?
C40 H40A 0.9700 . ?
C40 H40B 0.9700 . ?
C41 C42 1.528(9) . ?
C41 C47 1.530(12) . ?
C41 H41A 0.9800 . ?
C42 C43 1.471(8) . ?
C42 C45 1.555(10) . ?
C42 H42A 0.9800 . ?
C43 C44 1.263(9) . ?
C43 C44' 1.278(9) . ?
C43 Cu5 2.153(8) 3_455 ?
C43 H43B 0.9599 . ?
C43 H43A 0.9600 . ?
C44 Cu5 2.41(2) 3_455 ?
C44 H43B 0.6084 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44' Cu6' 2.306(18) 3_455 ?
C44' H43A 0.6339 . ?
C44' H44C 0.9603 . ?
C44' H44D 0.9598 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C46 C47 1.533(12) . ?
C46 H46A 0.9700 . ?
C46 H46B 0.9700 . ?
C47 H47A 0.9700 . ?
C47 H47B 0.9700 . ?
C48 C49 1.558(10) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 C54 1.295(10) . ?
C49 C50 1.389(11) . ?
C50 C51 1.388(11) . ?
C50 H50A 0.9300 . ?
C51 C52 1.285(10) . ?
C51 H51A 0.9300 . ?
C52 C53 1.330(12) . ?
C52 C55' 1.431(10) . ?
C52 C55 1.434(10) . ?
C53 C54 1.383(11) . ?
C53 H53A 0.9300 . ?
C54 H54A 0.9300 . ?
C55 C56 1.156(10) . ?
C55 H55A 0.9300 . ?
C56 H56A 0.9300 . ?
C56 H56B 0.9300 . ?
C55' C56' 1.154(11) . ?
C55' H55B 0.9300 . ?
C56' H56C 0.9300 . ?
C56' H56D 0.9300 . ?
C57 O3 1.435(8) . ?
C57 C58 1.439(8) . ?
C57 H57A 0.9700 . ?
C57 H57B 0.9700 . ?
O3 H3A 0.8499 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
