#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:22:23 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180502 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/71/7217115.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_7217115
loop_
_publ_author_name
'Yan, Zhi-Hao'
'Han, Lu-Lu'
'Zhao, Ya-Qin'
'Li, Xiao-Yu'
'Wang, Xing-Po'
'Wang, Lei'
'Sun, Di'
_publ_section_title
;
 Three mixed-ligand coordination networks modulated by flexible N-donor
 ligands: syntheses, topological structures, and temperature-sensitive
 luminescence properties
;
_journal_issue                   37
_journal_name_full               CrystEngComm
_journal_page_first              8747
_journal_paper_doi               10.1039/C4CE01270D
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C40 H40 Br8 N8 O10 Zn2'
_chemical_formula_weight         1562.82
_chemical_name_systematic
; 
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.043(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.333(6)
_cell_length_b                   21.282(8)
_cell_length_c                   17.076(7)
_cell_measurement_temperature    298(2)
_cell_volume                     5208(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0919
_diffrn_reflns_av_sigmaI/netI    0.1330
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23875
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    7.119
_exptl_absorpt_correction_T_max  0.7173
_exptl_absorpt_correction_T_min  0.4148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.427
_refine_diff_density_min         -1.098
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9044
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1736
_refine_ls_R_factor_gt           0.1000
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1565P)²+38.8321P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2657
_refine_ls_wR_factor_ref         0.3123
_reflns_number_gt                4718
_reflns_number_total             9044
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01270d2.cif
_cod_data_source_block           p1
_cod_depositor_comments
'Adding full bibliography for 7217115--7217117.cif.'
_cod_database_code               7217115
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'
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
Zn1 Zn 1.24336(12) 0.11497(8) 0.68377(10) 0.0355(5) Uani 1 1 d .
Zn2 Zn 0.74153(12) 0.37289(8) 0.31870(9) 0.0339(4) Uani 1 1 d .
Br1 Br 1.07546(14) 0.30254(11) 0.67035(11) 0.0671(6) Uani 1 1 d .
Br2 Br 0.86324(14) 0.33702(12) 0.60334(12) 0.0770(7) Uani 1 1 d .
Br3 Br 1.14116(14) 0.16619(11) 0.39734(12) 0.0714(7) Uani 1 1 d .
Br4 Br 0.92450(14) 0.19378(11) 0.33378(11) 0.0673(6) Uani 1 1 d .
Br5 Br 1.36202(15) 0.11589(10) 0.45350(14) 0.0752(7) Uani 1 1 d .
Br6 Br 1.56418(14) 0.09746(10) 0.36358(11) 0.0617(6) Uani 1 1 d .
Br7 Br 0.52635(17) 0.55789(11) 0.32541(12) 0.0751(7) Uani 1 1 d .
Br8 Br 0.33041(16) 0.58116(13) 0.42250(15) 0.0911(9) Uani 1 1 d .
C1 C 1.3975(16) 0.0942(11) 0.8363(13) 0.082(7) Uani 1 1 d .
H1A H 1.3583 0.0650 0.8083 0.123 Uiso 1 1 calc R
H1B H 1.3846 0.0919 0.8912 0.123 Uiso 1 1 calc R
H1C H 1.4618 0.0838 0.8281 0.123 Uiso 1 1 calc R
C2 C 1.3788(13) 0.1588(8) 0.8074(10) 0.052(4) Uani 1 1 d .
C3 C 1.3238(14) 0.2393(9) 0.7453(10) 0.059(5) Uani 1 1 d .
H3A H 1.2889 0.2635 0.7101 0.071 Uiso 1 1 calc R
C4 C 1.3816(15) 0.2613(10) 0.7961(12) 0.072(6) Uani 1 1 d .
H4A H 1.3939 0.3036 0.8051 0.087 Uiso 1 1 calc R
C5 C 1.4966(13) 0.2149(12) 0.8986(12) 0.073(6) Uani 1 1 d .
H5A H 1.5338 0.1768 0.8972 0.088 Uiso 1 1 calc R
H5B H 1.5376 0.2499 0.8875 0.088 Uiso 1 1 calc R
C6 C 1.4616(13) 0.2224(10) 0.9754(10) 0.061(5) Uani 1 1 d .
H6A H 1.4328 0.1833 0.9912 0.074 Uiso 1 1 calc R
H6B H 1.4135 0.2544 0.9741 0.074 Uiso 1 1 calc R
C7 C 1.5351(14) 0.2405(13) 1.0364(11) 0.084(7) Uani 1 1 d .
H7A H 1.5756 0.2047 1.0463 0.101 Uiso 1 1 calc R
H7B H 1.5729 0.2742 1.0159 0.101 Uiso 1 1 calc R
C8 C 1.4953(16) 0.2604(15) 1.1092(13) 0.107(10) Uani 1 1 d .
H8A H 1.4495 0.2299 1.1257 0.128 Uiso 1 1 calc R
H8B H 1.4638 0.3004 1.1016 0.128 Uiso 1 1 calc R
C9 C 1.6126(16) 0.2198(12) 1.2098(14) 0.083(7) Uani 1 1 d .
H9A H 1.6032 0.1769 1.2029 0.100 Uiso 1 1 calc R
C10 C 1.6744(12) 0.2490(9) 1.2618(10) 0.054(5) Uani 1 1 d .
H10A H 1.7159 0.2284 1.2956 0.065 Uiso 1 1 calc R
C11 C 1.6024(13) 0.3223(9) 1.1975(10) 0.056(5) Uani 1 1 d .
C12 C 1.5772(16) 0.3840(10) 1.1679(13) 0.078(7) Uani 1 1 d .
H12A H 1.5310 0.3797 1.1268 0.116 Uiso 1 1 calc R
H12B H 1.6315 0.4042 1.1477 0.116 Uiso 1 1 calc R
H12C H 1.5523 0.4088 1.2096 0.116 Uiso 1 1 calc R
C13 C 1.1020(13) 0.1397(8) 0.8413(11) 0.058(5) Uani 1 1 d .
H13A H 1.0585 0.1403 0.8834 0.086 Uiso 1 1 calc R
H13B H 1.0841 0.1708 0.8031 0.086 Uiso 1 1 calc R
H13C H 1.1634 0.1490 0.8614 0.086 Uiso 1 1 calc R
C14 C 1.1017(14) 0.0803(10) 0.8064(10) 0.062(5) Uani 1 1 d .
C15 C 1.1323(15) 0.0016(9) 0.7280(11) 0.068(6) Uani 1 1 d .
H15A H 1.1576 -0.0218 0.6876 0.082 Uiso 1 1 calc R
C16 C 1.0694(16) -0.0201(9) 0.7778(11) 0.070(6) Uani 1 1 d .
H16A H 1.0437 -0.0602 0.7786 0.083 Uiso 1 1 calc R
C17 C 0.9873(15) 0.0254(12) 0.8925(11) 0.082(7) Uani 1 1 d .
H17A H 0.9369 -0.0032 0.8791 0.099 Uiso 1 1 calc R
H17B H 0.9602 0.0666 0.9005 0.099 Uiso 1 1 calc R
C18 C 1.0324(14) 0.0044(11) 0.9672(10) 0.069(6) Uani 1 1 d .
H18A H 1.0642 -0.0351 0.9579 0.082 Uiso 1 1 calc R
H18B H 1.0793 0.0350 0.9827 0.082 Uiso 1 1 calc R
C19 C 0.9035(17) 0.3448(11) 0.1806(13) 0.087(7) Uani 1 1 d .
H19A H 0.8794 0.3182 0.2210 0.131 Uiso 1 1 calc R
H19B H 0.9704 0.3458 0.1846 0.131 Uiso 1 1 calc R
H19C H 0.8849 0.3285 0.1302 0.131 Uiso 1 1 calc R
C20 C 0.8688(13) 0.4045(10) 0.1891(10) 0.055(5) Uani 1 1 d .
C21 C 0.815(5) 0.483(3) 0.239(4) 0.079(16) Uani 0.50 1 d PU
H21A H 0.7914 0.5099 0.2783 0.095 Uiso 0.50 1 d PR
C21' C 0.782(5) 0.489(3) 0.218(4) 0.077(16) Uani 0.50 1 d PU
H21B H 0.7385 0.5158 0.2439 0.092 Uiso 0.50 1 d PR
C22 C 0.861(5) 0.506(3) 0.179(3) 0.074(16) Uani 0.50 1 d PU
H22A H 0.8710 0.5488 0.1624 0.089 Uiso 0.50 1 d PR
C22' C 0.829(5) 0.500(3) 0.146(3) 0.078(16) Uani 0.50 1 d PU
H22B H 0.8184 0.5340 0.1106 0.094 Uiso 0.50 1 d PR
C23 C 0.9506(18) 0.4435(11) 0.0743(13) 0.093(8) Uani 1 1 d .
H23A H 0.9228 0.4138 0.0377 0.112 Uiso 1 1 calc R
H23B H 1.0103 0.4267 0.0920 0.112 Uiso 1 1 calc R
C24 C 0.9655(15) 0.5051(10) 0.0339(11) 0.067(5) Uani 1 1 d .
H24A H 0.9910 0.5356 0.0707 0.080 Uiso 1 1 calc R
H24B H 0.9066 0.5211 0.0134 0.080 Uiso 1 1 calc R
C25 C 0.8212(10) 0.2881(8) 0.4333(9) 0.038(4) Uani 1 1 d .
C26 C 0.9119(11) 0.2651(8) 0.4708(9) 0.041(4) Uani 1 1 d .
C27 C 0.9429(10) 0.2894(7) 0.5435(9) 0.039(4) Uani 1 1 d .
C28 C 1.0310(10) 0.2720(7) 0.5720(8) 0.037(4) Uani 1 1 d .
C29 C 1.0899(10) 0.2332(7) 0.5321(9) 0.037(4) Uani 1 1 d .
C30 C 1.0590(10) 0.2110(7) 0.4588(9) 0.039(4) Uani 1 1 d .
C31 C 0.9696(11) 0.2265(9) 0.4319(9) 0.047(4) Uani 1 1 d .
C32 C 1.1792(12) 0.2101(8) 0.5710(9) 0.044(4) Uani 1 1 d .
C33 C 1.3274(12) 0.0211(8) 0.5817(9) 0.042(4) Uani 1 1 d .
C34 C 1.4428(11) 0.0495(7) 0.4801(9) 0.037(4) Uani 1 1 d .
C35 C 1.4151(11) 0.0104(7) 0.5397(8) 0.038(4) Uani 1 1 d .
C36 C 1.5270(11) 0.0405(7) 0.4416(9) 0.039(4) Uani 1 1 d .
C37 C 0.6686(13) 0.4741(10) 0.4115(10) 0.051(5) Uani 1 1 d .
C38 C 0.5827(12) 0.4884(7) 0.4594(9) 0.043(4) Uani 1 1 d .
C39 C 0.5133(12) 0.5256(7) 0.4282(9) 0.042(4) Uani 1 1 d .
C40 C 0.4274(10) 0.5339(7) 0.4658(9) 0.040(4) Uani 1 1 d .
N1 N 1.3203(9) 0.1732(7) 0.7501(7) 0.048(4) Uani 1 1 d .
N2 N 1.4229(11) 0.2112(8) 0.8353(8) 0.060(4) Uani 1 1 d .
N3 N 1.5692(12) 0.2672(12) 1.1715(10) 0.092(7) Uani 1 1 d .
N4 N 1.6648(9) 0.3110(6) 1.2557(7) 0.041(3) Uani 1 1 d .
N5 N 1.1550(10) 0.0637(7) 0.7441(8) 0.050(4) Uani 1 1 d .
N6 N 1.0502(11) 0.0287(7) 0.8275(8) 0.058(4) Uani 1 1 d .
N7 N 0.8101(11) 0.4241(7) 0.2416(8) 0.057(4) Uani 1 1 d .
N8 N 0.8904(14) 0.4512(8) 0.1405(10) 0.082(6) Uani 1 1 d .
O1 O 1.1644(7) 0.1592(5) 0.6088(7) 0.047(3) Uani 1 1 d .
O2 O 1.2516(8) 0.2373(6) 0.5618(7) 0.055(3) Uani 1 1 d .
O3 O 0.8333(8) 0.3344(6) 0.3884(7) 0.053(3) Uani 1 1 d .
O4 O 0.7483(8) 0.2605(7) 0.4453(7) 0.066(4) Uani 1 1 d .
O5 O 0.6492(8) 0.4220(5) 0.3727(7) 0.054(3) Uani 1 1 d .
O6 O 0.7378(9) 0.5014(7) 0.4159(8) 0.072(4) Uani 1 1 d .
O7 O 1.3384(7) 0.0635(6) 0.6361(7) 0.049(3) Uani 1 1 d .
O8 O 1.2576(8) -0.0053(6) 0.5642(7) 0.057(3) Uani 1 1 d .
O1W O 1.2536(13) -0.1347(7) 0.4771(10) 0.106(6) Uani 1 1 d .
H1WA H 1.2526 -0.1675 0.5054 0.127 Uiso 1 1 d R
H1WB H 1.2541 -0.1027 0.5068 0.127 Uiso 1 1 d R
O2W O 1.2477(15) 0.1253(8) 0.9982(11) 0.124(7) Uani 1 1 d .
H2WA H 1.2492 0.1595 1.0240 0.149 Uiso 1 1 d R
H2WB H 1.2519 0.0948 1.0302 0.149 Uiso 1 1 d R
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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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 0.0060 '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
O1 Zn1 O7 113.8(5) . .
O1 Zn1 N5 104.0(5) . .
O7 Zn1 N5 111.6(5) . .
O1 Zn1 N1 112.5(5) . .
O7 Zn1 N1 101.8(5) . .
N5 Zn1 N1 113.5(6) . .
O5 Zn2 O3 113.5(5) . .
O5 Zn2 N7 111.8(6) . .
O3 Zn2 N7 107.5(6) . .
O5 Zn2 N4 103.7(5) . 1_454
O3 Zn2 N4 114.1(5) . 1_454
N7 Zn2 N4 106.1(6) . 1_454
N1 C2 N2 110.8(16) . .
N1 C2 C1 125.0(18) . .
N2 C2 C1 124.2(17) . .
C4 C3 N1 110.4(17) . .
C3 C4 N2 108.2(18) . .
C6 C5 N2 114.5(16) . .
C5 C6 C7 114.2(17) . .
C8 C7 C6 112.8(17) . .
C7 C8 N3 110.9(19) . .
N3 C9 C10 105(2) . .
N4 C10 C9 109.2(18) . .
N3 C11 N4 108.5(17) . .
N3 C11 C12 126.3(19) . .
N4 C11 C12 125.2(17) . .
N5 C14 N6 107.9(18) . .
N5 C14 C13 124.7(18) . .
N6 C14 C13 127.4(17) . .
C16 C15 N5 111.2(16) . .
C15 C16 N6 106.1(17) . .
N6 C17 C18 114.0(16) . .
C18 C18 C17 115(2) 3_757 .
N7 C20 N8 110.3(17) . .
N7 C20 C19 127.3(18) . .
N8 C20 C19 122.4(18) . .
N7 C20 C21 37(2) . .
N8 C20 C21 75(2) . .
C19 C20 C21 161(2) . .
C21' C21 N7 102(10) . .
C21' C21 C22 82(10) . .
N7 C21 C22 116(6) . .
C21' C21 C22' 60(10) . .
N7 C21 C22' 106(6) . .
C22 C21 C22' 26(4) . .
C21' C21 C20 104(10) . .
N7 C21 C20 39(2) . .
C22 C21 C20 78(4) . .
C22' C21 C20 74(4) . .
C21 C21' C22 72(10) . .
C21 C21' C22' 99(10) . .
C22 C21' C22' 30(4) . .
C21 C21' N7 55(10) . .
C22 C21' N7 99(5) . .
C22' C21' N7 105(4) . .
C22' C22 C21 102(10) . .
C22' C22 C21' 79(10) . .
C21 C22 C21' 26(4) . .
C22' C22 N8 71(8) . .
C21 C22 N8 102(5) . .
C21' C22 N8 105(6) . .
C22 C22' N8 78(9) . .
C22 C22' C21' 71(10) . .
N8 C22' C21' 105(4) . .
C22 C22' C21 52(8) . .
N8 C22' C21 89(4) . .
C21' C22' C21 21(4) . .
N8 C23 C24 110.7(18) . .
C23 C24 C24 109(2) . 3_765
O4 C25 O3 127.3(14) . .
O4 C25 C26 120.2(15) . .
O3 C25 C26 112.4(14) . .
C31 C26 C27 118.1(14) . .
C31 C26 C25 121.1(14) . .
C27 C26 C25 120.4(14) . .
C28 C27 C26 118.6(14) . .
C28 C27 Br2 121.2(12) . .
C26 C27 Br2 120.0(11) . .
C29 C28 C27 123.2(14) . .
C29 C28 Br1 116.5(11) . .
C27 C28 Br1 120.2(11) . .
C28 C29 C30 117.4(13) . .
C28 C29 C32 120.0(14) . .
C30 C29 C32 122.3(14) . .
C31 C30 C29 119.2(13) . .
C31 C30 Br3 121.7(12) . .
C29 C30 Br3 119.0(11) . .
C26 C31 C30 123.4(15) . .
C26 C31 Br4 116.9(12) . .
C30 C31 Br4 119.7(12) . .
O2 C32 O1 128.6(15) . .
O2 C32 C29 120.9(14) . .
O1 C32 C29 110.4(14) . .
O8 C33 O7 126.9(15) . .
O8 C33 C35 121.9(16) . .
O7 C33 C35 111.2(15) . .
C35 C34 C36 121.7(13) . .
C35 C34 Br5 116.7(11) . .
C36 C34 Br5 121.6(11) . .
C34 C35 C36 117.3(14) . 3_856
C34 C35 C33 121.6(13) . .
C36 C35 C33 121.0(14) 3_856 .
C35 C36 C34 120.9(13) 3_856 .
C35 C36 Br6 119.1(12) 3_856 .
C34 C36 Br6 120.1(11) . .
O6 C37 O5 129.2(17) . .
O6 C37 C38 124.6(17) . .
O5 C37 C38 105.8(16) . .
C39 C38 C40 118.2(14) . 3_666
C39 C38 C37 119.7(14) . .
C40 C38 C37 122.1(15) 3_666 .
C38 C39 C40 122.0(14) . .
C38 C39 Br7 119.0(12) . .
C40 C39 Br7 118.5(11) . .
C38 C40 C39 119.2(13) 3_666 .
C38 C40 Br8 117.8(11) 3_666 .
C39 C40 Br8 122.7(11) . .
C2 N1 C3 104.7(14) . .
C2 N1 Zn1 128.0(13) . .
C3 N1 Zn1 127.3(11) . .
C2 N2 C4 105.6(14) . .
C2 N2 C5 127.6(17) . .
C4 N2 C5 126.7(17) . .
C11 N3 C9 109.7(16) . .
C11 N3 C8 124(2) . .
C9 N3 C8 126(2) . .
C10 N4 C11 107.5(15) . .
C10 N4 Zn2 123.4(11) . 1_656
C11 N4 Zn2 128.8(12) . 1_656
C14 N5 C15 105.6(15) . .
C14 N5 Zn1 129.4(14) . .
C15 N5 Zn1 124.9(11) . .
C14 N6 C16 109.1(15) . .
C14 N6 C17 125.9(18) . .
C16 N6 C17 125.0(18) . .
C21 N7 C20 104(4) . .
C21 N7 C21' 23(6) . .
C20 N7 C21' 106(3) . .
C21 N7 Zn2 127(3) . .
C20 N7 Zn2 127.7(13) . .
C21' N7 Zn2 124(3) . .
C20 N8 C22' 111(3) . .
C20 N8 C22 105(3) . .
C22' N8 C22 30(4) . .
C20 N8 C23 123.4(18) . .
C22' N8 C23 123(3) . .
C22 N8 C23 130(3) . .
C32 O1 Zn1 130.1(11) . .
C25 O3 Zn2 127.1(10) . .
C37 O5 Zn2 123.6(11) . .
C33 O7 Zn1 127.9(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O1 1.937(11) .
Zn1 O7 1.938(11) .
Zn1 N5 1.976(14) .
Zn1 N1 1.999(14) .
Zn2 O5 1.935(11) .
Zn2 O3 1.940(10) .
Zn2 N7 1.983(13) .
Zn2 N4 2.014(13) 1_454
Br1 C28 1.900(14) .
Br2 C27 1.848(14) .
Br3 C30 1.855(14) .
Br4 C31 1.916(16) .
Br5 C34 1.877(14) .
Br6 C36 1.886(14) .
Br7 C39 1.899(14) .
Br8 C40 1.858(14) .
C1 C2 1.48(3) .
C2 N1 1.31(2) .
C2 N2 1.36(2) .
C3 C4 1.28(2) .
C3 N1 1.41(2) .
C4 N2 1.39(2) .
C5 C6 1.42(3) .
C5 N2 1.50(2) .
C6 C7 1.52(2) .
C7 C8 1.44(3) .
C8 N3 1.49(2) .
C9 N3 1.35(3) .
C9 C10 1.39(2) .
C10 N4 1.33(2) .
C11 N3 1.34(3) .
C11 N4 1.35(2) .
C11 C12 1.45(3) .
C13 C14 1.40(3) .
C14 N5 1.37(2) .
C14 N6 1.38(2) .
C15 C16 1.33(3) .
C15 N5 1.39(2) .
C16 N6 1.37(2) .
C17 N6 1.44(2) .
C17 C18 1.49(3) .
C18 C18 1.48(3) 3_757
C19 C20 1.37(3) .
C20 N7 1.31(2) .
C20 N8 1.33(2) .
C20 C21 2.02(7) .
C21 C21' 0.60(11) .
C21 N7 1.25(7) .
C21 C22 1.32(7) .
C21 C22' 1.63(11) .
C21' C22 1.37(12) .
C21' C22' 1.43(7) .
C21' N7 1.49(5) .
C22 C22' 0.73(9) .
C22 N8 1.41(6) .
C22' N8 1.36(6) .
C23 N8 1.44(2) .
C23 C24 1.50(3) .
C24 C24 1.55(4) 3_765
C25 O4 1.220(18) .
C25 O3 1.262(19) .
C25 C26 1.52(2) .
C26 C31 1.35(2) .
C26 C27 1.41(2) .
C27 C28 1.40(2) .
C28 C29 1.37(2) .
C29 C30 1.40(2) .
C29 C32 1.51(2) .
C30 C31 1.39(2) .
C32 O2 1.201(19) .
C32 O1 1.282(19) .
C33 O8 1.180(19) .
C33 O7 1.30(2) .
C33 C35 1.48(2) .
C34 C35 1.38(2) .
C34 C36 1.40(2) .
C35 C36 1.40(2) 3_856
C36 C35 1.40(2) 3_856
C37 O6 1.15(2) .
C37 O5 1.32(2) .
C37 C38 1.52(2) .
C38 C39 1.37(2) .
C38 C40 1.37(2) 3_666
C39 C40 1.41(2) .
C40 C38 1.37(2) 3_666
N4 Zn2 2.014(13) 1_656
