#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:25:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178898 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/27/4112799.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_4112799
loop_
_publ_author_name
'Giannis S. Papaefstathiou'
'Zhenming Zhong'
'Lei Geng'
'Leonard R. MacGillivray'
_publ_contact_author_address
;
Department of Chemistry
University of Iowa
Iowa City, 52242-1294
Iowa, USA
;
_publ_contact_author_email       len-macgillivray@uiowa.edu
_publ_contact_author_name        'MacGillivray, Leonard R.'
_publ_section_title
;
 Coordination-Driven Self-Assembly Directs a
 Single-Crystal-to-Single-Crystal Transformation that Exhibits
 Photocontrolled Fluorescence
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9158
_journal_page_last               9159
_journal_paper_doi               10.1021/ja047819n
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C70 H76 Cl4 N12 O24 Zn4'
_chemical_formula_weight         1872.79
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2004-04-14T10:30:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                97.531(5)
_cell_angle_beta                 101.758(5)
_cell_angle_gamma                110.933(5)
_cell_formula_units_Z            1
_cell_length_a                   10.7509(11)
_cell_length_b                   10.9233(11)
_cell_length_c                   18.558(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1942.7(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.98
_diffrn_measured_fraction_theta_max 0.98
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            16348
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    1.442
_exptl_absorpt_correction_T_max  0.9314
_exptl_absorpt_correction_T_min  0.5962
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scalepack (Otwinowiski & Minor, 1997)'
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.862
_refine_diff_density_min         -0.592
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         8750
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.015
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0985P)²+0.5712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1592
_reflns_number_gt                6388
_reflns_number_total             8750
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja047819nsi20040415_064047_2.cif
_cod_data_source_block           1
_cod_original_cell_volume        1942.7(3)
_cod_database_code               4112799
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
_atom_site_disorder_assembly
C1 C 0.2415(4) 0.5128(4) 0.5515(2) 0.0300(8) Uani 1 d . . .
H1 H 0.2057 0.4528 0.5805 0.036 Uiso 1 calc R . .
C2 C 0.3173(4) 0.4822(4) 0.5059(2) 0.0341(9) Uani 1 d . . .
H2 H 0.3326 0.4034 0.5045 0.041 Uiso 1 calc R . .
C3 C 0.3698(4) 0.5694(4) 0.4626(2) 0.0364(9) Uani 1 d . . .
H3 H 0.4201 0.5503 0.4308 0.044 Uiso 1 calc R . .
C4 C 0.3468(4) 0.6860(4) 0.4670(2) 0.0344(9) Uani 1 d . . .
H4 H 0.3829 0.747 0.4385 0.041 Uiso 1 calc R . .
C5 C 0.2699(4) 0.7126(4) 0.5139(2) 0.0291(8) Uani 1 d . . .
C6 C 0.2404(4) 0.8365(4) 0.5194(2) 0.0313(8) Uani 1 d . . .
H6A H 0.2822 0.889 0.4859 0.038 Uiso 1 calc R . .
H6B H 0.2829 0.8904 0.5705 0.038 Uiso 1 calc R . .
C7 C 0.0859(4) 0.8058(4) 0.4990(2) 0.0340(9) Uani 1 d . . .
H7A H 0.0714 0.8833 0.4853 0.041 Uiso 1 calc R . .
H7B H 0.0386 0.7309 0.4556 0.041 Uiso 1 calc R . .
C8 C -0.0546(4) 0.8317(4) 0.5758(2) 0.0293(8) Uani 1 d . . .
H8 H -0.06 0.8952 0.5479 0.035 Uiso 1 calc R . .
C9 C -0.1376(4) 0.8112(4) 0.6293(2) 0.0278(8) Uani 1 d . . .
C10 C -0.2170(4) 0.8875(4) 0.6316(2) 0.0323(8) Uani 1 d . . .
H10 H -0.2046 0.9542 0.6041 0.039 Uiso 1 calc R . .
C11 C -0.3137(4) 0.8686(4) 0.6729(2) 0.0360(9) Uani 1 d . . .
C12 C -0.3955(5) 0.9564(5) 0.6742(3) 0.0503(12) Uani 1 d . . .
H12A H -0.3633 1.017 0.7227 0.075 Uiso 1 calc R . .
H12B H -0.4918 0.9008 0.6648 0.075 Uiso 1 calc R . .
H12C H -0.383 1.0071 0.6357 0.075 Uiso 1 calc R . .
C13 C -0.3318(4) 0.7669(4) 0.7113(2) 0.0351(9) Uani 1 d . . .
H13 H -0.3975 0.7509 0.7384 0.042 Uiso 1 calc R . .
C14 C -0.2553(4) 0.6856(4) 0.7113(2) 0.0296(8) Uani 1 d . . .
C15 C -0.1509(4) 0.7114(4) 0.67243(19) 0.0257(8) Uani 1 d . . .
C16 C -0.2933(4) 0.5748(4) 0.7495(2) 0.0305(8) Uani 1 d . . .
H16 H -0.3657 0.566 0.7714 0.037 Uiso 1 calc R . .
C17 C -0.3044(4) 0.3818(4) 0.7942(3) 0.0386(9) Uani 1 d . . .
H17A H -0.3532 0.2972 0.7571 0.046 Uiso 1 calc R . .
H17B H -0.3716 0.4024 0.8156 0.046 Uiso 1 calc R . .
C18 C -0.1968(4) 0.3666(4) 0.8571(2) 0.0379(9) Uani 1 d . . .
H18A H -0.1305 0.4555 0.8848 0.045 Uiso 1 calc R . .
H18B H -0.2434 0.3229 0.892 0.045 Uiso 1 calc R . .
C19 C -0.1194(4) 0.2874(4) 0.8297(2) 0.0343(9) Uani 1 d . . .
C20 C -0.0980(5) 0.1905(5) 0.8645(3) 0.0517(12) Uani 1 d . . .
H20 H -0.129 0.1738 0.9069 0.062 Uiso 1 calc R . .
C21 C -0.0294(6) 0.1175(5) 0.8356(3) 0.0587(14) Uani 1 d . . .
H21 H -0.0159 0.0503 0.858 0.07 Uiso 1 calc R . .
C22 C 0.0179(5) 0.1453(5) 0.7741(3) 0.0473(11) Uani 1 d . . .
H22 H 0.0649 0.0984 0.7544 0.057 Uiso 1 calc R . .
C23 C -0.0056(4) 0.2441(4) 0.7425(2) 0.0348(9) Uani 1 d . . .
H23 H 0.0257 0.262 0.7003 0.042 Uiso 1 calc R . .
C24 C 0.3415(4) 0.7847(4) 0.7660(2) 0.0286(8) Uani 1 d . . .
H24 H 0.343 0.6998 0.7547 0.034 Uiso 1 calc R . .
C25 C 0.4348(4) 0.8745(4) 0.8302(2) 0.0289(8) Uani 1 d . . .
H25 H 0.4975 0.8504 0.8612 0.035 Uiso 1 calc R . .
C26 C 0.4339(4) 1.0035(4) 0.8482(2) 0.0300(8) Uani 1 d . . .
C27 C 0.3380(4) 1.0321(4) 0.7990(2) 0.0354(9) Uani 1 d . . .
H27 H 0.3341 1.1162 0.8085 0.043 Uiso 1 calc R . .
C28 C 0.2487(4) 0.9362(4) 0.7363(2) 0.0332(9) Uani 1 d . . .
H28 H 0.1851 0.9578 0.7041 0.04 Uiso 1 calc R . .
C31 C 0.7304(4) 1.1913(4) 1.0295(2) 0.0303(8) Uani 1 d . . .
C32 C 0.8329(4) 1.1613(4) 1.0728(2) 0.0325(8) Uani 1 d . . .
H32 H 0.8397 1.0796 1.0585 0.039 Uiso 1 calc R . .
C33 C 0.9245(4) 1.2533(4) 1.1371(2) 0.0347(9) Uani 1 d . . .
H33 H 0.9926 1.2317 1.1652 0.042 Uiso 1 calc R . .
C34 C 0.8220(4) 1.4027(4) 1.1177(2) 0.0323(8) Uani 1 d . . .
H34 H 0.8186 1.486 1.1323 0.039 Uiso 1 calc R . .
C35 C 0.7275(4) 1.3163(4) 1.0534(2) 0.0347(9) Uani 1 d . . .
H35 H 0.6615 1.341 1.0257 0.042 Uiso 1 calc R . .
N1 N 0.2168(3) 0.6256(3) 0.55603(17) 0.0273(7) Uani 1 d . . .
N2 N 0.0265(3) 0.7726(3) 0.56205(17) 0.0272(7) Uani 1 d . . .
N3 N -0.2401(3) 0.4883(3) 0.75665(17) 0.0303(7) Uani 1 d . . .
N4 N -0.0721(3) 0.3173(3) 0.76918(18) 0.0299(7) Uani 1 d . . .
N5 N 0.2482(3) 0.8132(3) 0.71892(16) 0.0254(6) Uani 1 d . . .
N6 N 0.9196(3) 1.3734(3) 1.16093(17) 0.0281(7) Uani 1 d . . .
O1 O -0.0724(2) 0.6426(3) 0.67433(15) 0.0289(6) Uani 1 d . . .
O2 O 0.0637(3) 0.4954(3) 0.66771(14) 0.0280(5) Uani 1 d . . .
H5O H 0.1286 0.4804 0.6926 0.06 Uiso 1 d . . .
O3 O 0.2079(4) 0.1543(4) 0.6372(2) 0.0685(11) Uani 1 d . . .
O4 O 0.4096(3) 0.3420(3) 0.64566(18) 0.0495(8) Uani 1 d . . .
O5 O 0.4207(3) 0.1334(3) 0.65185(19) 0.0521(8) Uani 1 d . . .
O6 O 0.3143(4) 0.1671(4) 0.53853(18) 0.0600(9) Uani 1 d . . .
O11 O 0.3125(3) 0.4722(3) 0.74638(17) 0.0476(8) Uani 1 d . . .
O12 O 0.4017(6) 0.3992(5) 0.8807(3) 0.0982(15) Uani 1 d . . .
Cl1 Cl 0.33647(10) 0.19834(9) 0.61885(6) 0.0351(2) Uani 1 d . . .
Cl2 Cl 0.72953(16) 0.73299(17) 0.96115(8) 0.0694(4) Uani 1 d D . .
O7 O 0.7344(7) 0.8047(5) 1.0311(3) 0.124(2) Uani 1 d D . A
Zn1 Zn 0.09790(4) 0.66191(4) 0.62965(2) 0.02368(13) Uani 1 d . . .
Zn2 Zn -0.05494(4) 0.50072(4) 0.73564(2) 0.02514(13) Uani 1 d . . .
C29A C 0.5305(4) 1.1066(4) 0.9146(2) 0.0295(9) Uani 0.92 d P . .
H29A H 0.5197 1.1874 0.9241 0.035 Uiso 0.92 calc PR . .
C30A C 0.6325(4) 1.0929(4) 0.9623(2) 0.0294(9) Uani 0.92 d P . .
H30A H 0.6425 1.0119 0.9517 0.035 Uiso 0.92 calc PR . .
C29B C 0.472(4) 1.035(5) 0.953(2) 0.036(11) Uiso 0.08 d PD . .
H29B H 0.4836 1.1282 0.9684 0.043 Uiso 0.08 calc PR . .
C30B C 0.605(4) 1.034(5) 0.996(2) 0.033(11) Uiso 0.08 d PD . .
H30B H 0.635 0.9746 0.9663 0.04 Uiso 0.08 calc PR . .
O8A O 0.6013(9) 0.6900(10) 0.9113(5) 0.103(4) Uani 0.53 d PD 1 A
O9A O 0.779(3) 0.6339(19) 0.9714(10) 0.27(2) Uani 0.53 d PD 1 A
O10A O 0.818(2) 0.8321(15) 0.9302(10) 0.223(10) Uani 0.53 d PD 1 A
O8B O 0.700(3) 0.6004(11) 0.9614(10) 0.238(17) Uani 0.47 d PD 2 A
O9B O 0.8491(14) 0.742(2) 0.9493(9) 0.173(9) Uani 0.47 d PD 2 A
O10B O 0.676(4) 0.772(3) 0.9012(6) 0.31(2) Uani 0.47 d PD 2 A
H1O H 0.3607 0.4356 0.7148 0.08 Uiso 1 d . . .
H2O H 0.3216 0.4447 0.7926 0.08 Uiso 1 d . . .
H3O H 0.3928 0.4877 0.885 0.12 Uiso 1 d . . .
H4O H 0.3733 0.3876 0.926 0.12 Uiso 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 C2 123.1(4) . .
C3 C2 C1 118.9(4) . .
C2 C3 C4 118.9(4) . .
C3 C4 C5 120.0(4) . .
N1 C5 C4 121.0(3) . .
N1 C5 C6 117.2(3) . .
C4 C5 C6 121.8(3) . .
C5 C6 C7 112.8(3) . .
N2 C7 C6 111.7(3) . .
N2 C8 C9 128.3(3) . .
C10 C9 C15 119.8(3) . .
C10 C9 C8 116.0(3) . .
C15 C9 C8 123.8(3) . .
C11 C10 C9 123.1(4) . .
C13 C11 C10 116.9(3) . .
C13 C11 C12 122.5(4) . .
C10 C11 C12 120.6(4) . .
C11 C13 C14 123.1(4) . .
C13 C14 C15 119.4(4) . .
C13 C14 C16 116.9(3) . .
C15 C14 C16 123.6(3) . .
O1 C15 C9 121.1(3) . .
O1 C15 C14 121.3(3) . .
C9 C15 C14 117.5(3) . .
N3 C16 C14 128.3(3) . .
N3 C17 C18 111.8(3) . .
C19 C18 C17 114.6(3) . .
N4 C19 C20 122.0(4) . .
N4 C19 C18 116.4(3) . .
C20 C19 C18 121.6(4) . .
C19 C20 C21 119.3(4) . .
C22 C21 C20 119.5(4) . .
C21 C22 C23 118.3(4) . .
N4 C23 C22 123.7(4) . .
N5 C24 C25 123.4(3) . .
C24 C25 C26 119.0(3) . .
C27 C26 C25 117.1(3) . .
C27 C26 C29A 119.9(3) . .
C25 C26 C29A 123.0(3) . .
C27 C26 C29B 127.5(13) . .
C25 C26 C29B 101.4(15) . .
C29A C26 C29B 41.0(13) . .
C28 C27 C26 119.9(4) . .
N5 C28 C27 123.4(3) . .
C32 C31 C35 117.3(3) . .
C32 C31 C30A 119.5(4) . .
C35 C31 C30A 123.3(4) . .
C32 C31 C30B 99.6(13) . .
C35 C31 C30B 132.9(14) . .
C30A C31 C30B 34.7(13) . .
C33 C32 C31 119.7(3) . .
N6 C33 C32 122.9(3) . .
N6 C34 C35 123.4(4) . .
C34 C35 C31 119.8(4) . .
C1 N1 C5 118.1(3) . .
C1 N1 Zn1 119.4(3) . .
C5 N1 Zn1 122.5(2) . .
C8 N2 C7 115.1(3) . .
C8 N2 Zn1 125.5(3) . .
C7 N2 Zn1 118.7(2) . .
C16 N3 C17 116.8(3) . .
C16 N3 Zn2 125.9(3) . .
C17 N3 Zn2 116.6(2) . .
C19 N4 C23 117.1(3) . .
C19 N4 Zn2 121.1(3) . .
C23 N4 Zn2 120.0(3) . .
C28 N5 C24 117.1(3) . .
C28 N5 Zn1 122.8(2) . .
C24 N5 Zn1 119.8(2) . .
C34 N6 C33 116.9(3) . .
C34 N6 Zn2 123.5(3) . 2_677
C33 N6 Zn2 119.5(2) . 2_677
C15 O1 Zn2 131.4(2) . .
C15 O1 Zn1 131.2(2) . .
Zn2 O1 Zn1 96.80(10) . .
Zn1 O2 Zn2 104.93(11) . .
O3 Cl1 O5 110.7(2) . .
O3 Cl1 O6 110.3(2) . .
O5 Cl1 O6 108.2(2) . .
O3 Cl1 O4 110.4(2) . .
O5 Cl1 O4 109.1(2) . .
O6 Cl1 O4 108.1(2) . .
O9B Cl2 O10B 100.8(14) . .
O9B Cl2 O8B 88.2(17) . .
O10B Cl2 O8B 122.1(17) . .
O9B Cl2 O8A 130.4(9) . .
O10B Cl2 O8A 45.1(17) . .
O8B Cl2 O8A 86.4(13) . .
O9B Cl2 O9A 58.8(11) . .
O10B Cl2 O9A 135.0(10) . .
O8B Cl2 O9A 32.3(19) . .
O8A Cl2 O9A 115.2(12) . .
O9B Cl2 O7 116.6(8) . .
O10B Cl2 O7 114.6(6) . .
O8B Cl2 O7 111.3(8) . .
O8A Cl2 O7 111.2(5) . .
O9A Cl2 O7 110.4(7) . .
O9B Cl2 O10A 52.2(9) . .
O10B Cl2 O10A 59.5(16) . .
O8B Cl2 O10A 135.9(14) . .
O8A Cl2 O10A 104.1(10) . .
O9A Cl2 O10A 110.7(9) . .
O7 Cl2 O10A 104.5(7) . .
O2 Zn1 N2 149.72(12) . .
O2 Zn1 N5 104.43(11) . .
N2 Zn1 N5 101.78(12) . .
O2 Zn1 O1 76.60(10) . .
N2 Zn1 O1 85.56(11) . .
N5 Zn1 O1 96.74(11) . .
O2 Zn1 N1 96.92(11) . .
N2 Zn1 N1 91.87(12) . .
N5 Zn1 N1 102.63(12) . .
O1 Zn1 N1 160.57(11) . .
O2 Zn1 Zn2 37.54(7) . .
N2 Zn1 Zn2 126.03(8) . .
N5 Zn1 Zn2 93.99(8) . .
O1 Zn1 Zn2 41.14(7) . .
N1 Zn1 Zn2 134.41(8) . .
O2 Zn2 N3 152.82(11) . .
O2 Zn2 O1 77.48(10) . .
N3 Zn2 O1 86.45(11) . .
O2 Zn2 N6 105.66(11) . 2_677
N3 Zn2 N6 98.73(12) . 2_677
O1 Zn2 N6 100.72(11) . 2_677
O2 Zn2 N4 97.24(11) . .
N3 Zn2 N4 92.21(12) . .
O1 Zn2 N4 163.91(11) . .
N6 Zn2 N4 95.33(12) 2_677 .
O2 Zn2 Zn1 37.53(7) . .
N3 Zn2 Zn1 128.13(9) . .
O1 Zn2 Zn1 42.06(7) . .
N6 Zn2 Zn1 97.25(9) 2_677 .
N4 Zn2 Zn1 134.76(9) . .
C30A C29A C26 124.7(4) . .
C29A C30A C31 127.0(4) . .
C30B C29B C30B 93(4) 2_677 .
C30B C29B C26 132(4) 2_677 .
C30B C29B C26 118(4) . .
C29B C30B C29B 87(4) 2_677 .
C29B C30B C31 120(4) 2_677 .
C29B C30B C31 112(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.345(5) .
C1 C2 1.376(5) .
C2 C3 1.369(6) .
C3 C4 1.376(6) .
C4 C5 1.387(5) .
C5 N1 1.352(5) .
C5 C6 1.491(5) .
C6 C7 1.526(5) .
C7 N2 1.469(5) .
C8 N2 1.300(5) .
C8 C9 1.452(5) .
C9 C10 1.392(5) .
C9 C15 1.419(5) .
C10 C11 1.388(6) .
C11 C13 1.374(6) .
C11 C12 1.516(5) .
C13 C14 1.409(5) .
C14 C15 1.421(5) .
C14 C16 1.457(5) .
C15 O1 1.314(4) .
C16 N3 1.276(5) .
C17 N3 1.466(5) .
C17 C18 1.539(6) .
C18 C19 1.506(6) .
C19 N4 1.356(5) .
C19 C20 1.372(6) .
C20 C21 1.391(7) .
C21 C22 1.368(7) .
C22 C23 1.369(6) .
C23 N4 1.359(5) .
C24 N5 1.344(4) .
C24 C25 1.374(5) .
C25 C26 1.410(5) .
C26 C27 1.383(5) .
C26 C29A 1.465(5) .
C26 C29B 1.87(4) .
C27 C28 1.372(5) .
C28 N5 1.338(5) .
C31 C32 1.390(5) .
C31 C35 1.392(6) .
C31 C30A 1.458(5) .
C31 C30B 1.70(5) .
C32 C33 1.379(5) .
C33 N6 1.352(5) .
C34 N6 1.346(5) .
C34 C35 1.369(5) .
N1 Zn1 2.143(3) .
N2 Zn1 2.072(3) .
N3 Zn2 2.066(3) .
N4 Zn2 2.132(3) .
N5 Zn1 2.090(3) .
N6 Zn2 2.105(3) 2_677
O1 Zn2 2.077(3) .
O1 Zn1 2.115(2) .
O2 Zn1 1.976(2) .
O2 Zn2 1.977(2) .
O3 Cl1 1.421(4) .
O4 Cl1 1.443(3) .
O5 Cl1 1.430(3) .
O6 Cl1 1.435(3) .
Cl2 O9B 1.318(8) .
Cl2 O10B 1.339(7) .
Cl2 O8B 1.368(9) .
Cl2 O8A 1.371(6) .
Cl2 O9A 1.382(8) .
Cl2 O7 1.406(4) .
Cl2 O10A 1.434(8) .
Zn1 Zn2 3.1348(6) .
Zn2 N6 2.105(3) 2_677
C29A C30A 1.328(6) .
C29B C30B 1.481(7) 2_677
C29B C30B 1.482(7) .
C30B C29B 1.481(7) 2_677
