#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:32:27 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180477 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/46/7214659.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_7214659
loop_
_publ_author_name
'Earl, Lyndsey D.'
'Patrick, Brian O.'
'Wolf, Michael O.'
_publ_section_title
;
 Synthesis, structure, and luminescent properties of
 oligothiophene-containing metal--organic frameworks
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              5801
_journal_paper_doi               10.1039/c2ce25529d
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C57 H59 N5 O11 S4 Zn2'
_chemical_formula_weight         1249.07
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.226(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.3642(6)
_cell_length_b                   17.0748(6)
_cell_length_c                   20.6230(7)
_cell_measurement_reflns_used    35342
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.09
_cell_measurement_theta_min      2.58
_cell_volume                     5762.3(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker X8 APEX II'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            99492
_diffrn_reflns_theta_full        30.13
_diffrn_reflns_theta_max         30.13
_diffrn_reflns_theta_min         1.59
_exptl_absorpt_coefficient_mu    1.041
_exptl_absorpt_correction_T_max  0.9011
_exptl_absorpt_correction_T_min  0.7855
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2592
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.229
_refine_diff_density_min         -0.707
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     770
_refine_ls_number_reflns         16899
_refine_ls_number_restraints     1050
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0733
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.029
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0430P)²+16.0711P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1326
_refine_ls_wR_factor_ref         0.1425
_reflns_number_gt                12937
_reflns_number_total             16899
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c2ce25529d.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7214659
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.67614(16) 0.07425(16) 0.58698(13) 0.0154(5) Uani 1 1 d U . .
C2 C 0.64726(16) 0.11542(15) 0.64618(13) 0.0156(5) Uani 1 1 d U . .
C3 C 0.60309(17) 0.08603(17) 0.69645(14) 0.0188(5) Uani 1 1 d U . .
H3 H 0.5850 0.0344 0.6982 0.023 Uiso 1 1 calc R . .
C4 C 0.58722(17) 0.14199(17) 0.74623(14) 0.0194(5) Uani 1 1 d U . .
C5 C 0.62089(17) 0.21417(17) 0.73148(14) 0.0181(5) Uani 1 1 d U . .
C6 C 0.62085(17) 0.28647(17) 0.77020(14) 0.0187(5) Uani 1 1 d U . .
C7 C 0.58583(18) 0.35818(17) 0.75613(14) 0.0196(5) Uani 1 1 d U . .
C8 C 0.60259(17) 0.41419(16) 0.80531(14) 0.0185(5) Uani 1 1 d U . .
H8 H 0.5837 0.4655 0.8038 0.022 Uiso 1 1 calc R . .
C9 C 0.64909(17) 0.38549(16) 0.85492(13) 0.0161(5) Uani 1 1 d U . .
C10 C 0.68134(17) 0.42743(16) 0.91272(13) 0.0157(5) Uani 1 1 d U . .
C11 C 0.53877(19) 0.12355(19) 0.80453(15) 0.0245(6) Uani 1 1 d U . .
C12 C 0.5490(3) 0.0528(2) 0.83652(18) 0.0367(9) Uani 1 1 d U . .
H12 H 0.5881 0.0174 0.8223 0.044 Uiso 1 1 calc R . .
C13 C 0.5005(3) 0.0346(3) 0.8902(2) 0.0490(11) Uani 1 1 d U . .
H13 H 0.5073 -0.0129 0.9116 0.059 Uiso 1 1 calc R . .
C14 C 0.4424(3) 0.0876(3) 0.9113(2) 0.0513(12) Uani 1 1 d U . .
H14 H 0.4100 0.0754 0.9469 0.062 Uiso 1 1 calc R . .
C15 C 0.4320(2) 0.1579(3) 0.8801(2) 0.0439(10) Uani 1 1 d U . .
H15 H 0.3929 0.1932 0.8946 0.053 Uiso 1 1 calc R . .
C16 C 0.4798(2) 0.1765(2) 0.82714(18) 0.0344(8) Uani 1 1 d U . .
H16 H 0.4727 0.2243 0.8063 0.041 Uiso 1 1 calc R . .
C17 C 0.5354(2) 0.37648(19) 0.69848(16) 0.0258(6) Uani 1 1 d U . .
C18 C 0.5412(2) 0.4493(2) 0.66900(17) 0.0340(8) Uani 1 1 d U . .
H18 H 0.5785 0.4858 0.6847 0.041 Uiso 1 1 calc R . .
C19 C 0.4923(3) 0.4682(2) 0.6166(2) 0.0434(10) Uani 1 1 d U . .
H19 H 0.4968 0.5174 0.5975 0.052 Uiso 1 1 calc R . .
C20 C 0.4369(3) 0.4147(3) 0.5924(2) 0.0443(10) Uani 1 1 d U . .
H20 H 0.4043 0.4275 0.5569 0.053 Uiso 1 1 calc R . .
C21 C 0.4302(3) 0.3424(2) 0.62098(19) 0.0406(9) Uani 1 1 d U . .
H21 H 0.3928 0.3062 0.6049 0.049 Uiso 1 1 calc R . .
C22 C 0.4785(2) 0.3233(2) 0.67333(18) 0.0317(7) Uani 1 1 d U . .
H22 H 0.4733 0.2742 0.6923 0.038 Uiso 1 1 calc R . .
C29 C 0.82310(18) -0.07885(16) 0.40960(13) 0.0175(5) Uani 1 1 d U . .
C30 C 0.86762(18) -0.12364(16) 0.35917(14) 0.0185(5) Uani 1 1 d U . .
C31 C 0.94086(17) -0.10683(17) 0.33155(14) 0.0186(5) Uani 1 1 d U . .
H31 H 0.9726 -0.0640 0.3436 0.022 Uiso 1 1 calc R . .
C32 C 0.96430(17) -0.16079(17) 0.28259(14) 0.0186(5) Uani 1 1 d U . .
C33 C 0.90703(18) -0.21957(17) 0.27557(14) 0.0197(5) Uani 1 1 d U . .
C34 C 1.04059(19) -0.15242(17) 0.24416(14) 0.0205(6) Uani 1 1 d U . .
C35 C 1.11157(19) -0.12478(19) 0.27346(16) 0.0250(6) Uani 1 1 d U . .
H35 H 1.1120 -0.1139 0.3176 0.030 Uiso 1 1 calc R . .
C36 C 1.1819(2) -0.1133(2) 0.23731(18) 0.0316(7) Uani 1 1 d U . .
H36 H 1.2289 -0.0939 0.2571 0.038 Uiso 1 1 calc R . .
C37 C 1.1819(2) -0.1308(2) 0.17201(19) 0.0357(8) Uani 1 1 d U . .
H37 H 1.2291 -0.1236 0.1478 0.043 Uiso 1 1 calc R . .
C38 C 1.1119(2) -0.1589(2) 0.14239(17) 0.0324(7) Uani 1 1 d U . .
H38 H 1.1123 -0.1708 0.0984 0.039 Uiso 1 1 calc R . .
C39 C 1.0413(2) -0.16935(19) 0.17799(16) 0.0266(6) Uani 1 1 d U . .
H39 H 0.9941 -0.1877 0.1578 0.032 Uiso 1 1 calc R . .
C40 C 0.67133(17) 0.07482(16) 0.40623(13) 0.0164(5) Uani 1 1 d U . .
C41 C 0.62899(17) 0.11824(16) 0.35398(13) 0.0171(5) Uani 1 1 d U . .
C42 C 0.55564(18) 0.10200(17) 0.32527(14) 0.0190(5) Uani 1 1 d U . .
H42 H 0.5231 0.0599 0.3374 0.023 Uiso 1 1 calc R . .
C43 C 0.53335(18) 0.15535(17) 0.27503(14) 0.0201(6) Uani 1 1 d U . .
C44 C 0.59243(17) 0.21267(17) 0.26759(14) 0.0187(5) Uani 1 1 d U . .
C45 C 0.45795(18) 0.14797(17) 0.23611(15) 0.0210(6) Uani 1 1 d U . .
C46 C 0.38459(19) 0.12528(19) 0.26491(17) 0.0255(6) Uani 1 1 d U . .
H46 H 0.3827 0.1169 0.3094 0.031 Uiso 1 1 calc R . .
C47 C 0.3143(2) 0.1150(2) 0.22761(19) 0.0332(8) Uani 1 1 d U . .
H47 H 0.2659 0.0991 0.2472 0.040 Uiso 1 1 calc R . .
C48 C 0.3162(2) 0.1285(2) 0.1615(2) 0.0359(8) Uani 1 1 d U . .
H48 H 0.2692 0.1216 0.1367 0.043 Uiso 1 1 calc R . .
C49 C 0.3879(2) 0.1521(2) 0.13238(18) 0.0345(8) Uani 1 1 d U . .
H49 H 0.3891 0.1617 0.0880 0.041 Uiso 1 1 calc R . .
C50 C 0.4577(2) 0.1614(2) 0.16924(16) 0.0282(7) Uani 1 1 d U . .
H50 H 0.5058 0.1769 0.1491 0.034 Uiso 1 1 calc R . .
C52 C 0.5381(2) -0.1478(2) 0.5426(2) 0.0404(9) Uani 1 1 d U . .
H52A H 0.5698 -0.1522 0.5817 0.061 Uiso 1 1 calc R . .
H52B H 0.5031 -0.1926 0.5384 0.061 Uiso 1 1 calc R . .
H52C H 0.5055 -0.1011 0.5443 0.061 Uiso 1 1 calc R . .
C51 C 0.5468(2) -0.1372(2) 0.42606(19) 0.0354(8) Uani 1 1 d U . .
H51A H 0.5840 -0.1348 0.3902 0.053 Uiso 1 1 calc R . .
H51B H 0.5142 -0.0905 0.4270 0.053 Uiso 1 1 calc R . .
H51C H 0.5119 -0.1820 0.4213 0.053 Uiso 1 1 calc R . .
C53 C 0.9487(3) 0.1345(2) 0.4262(2) 0.0430(10) Uani 1 1 d U . .
H53A H 0.9138 0.1264 0.3892 0.065 Uiso 1 1 calc R . .
H53B H 0.9839 0.0900 0.4316 0.065 Uiso 1 1 calc R . .
H53C H 0.9811 0.1806 0.4196 0.065 Uiso 1 1 calc R . .
C54 C 0.9488(3) 0.1569(3) 0.5418(2) 0.0662(17) Uani 1 1 d U . .
H54A H 0.9139 0.1632 0.5787 0.099 Uiso 1 1 calc R . .
H54B H 0.9812 0.2033 0.5362 0.099 Uiso 1 1 calc R . .
H54C H 0.9840 0.1127 0.5484 0.099 Uiso 1 1 calc R . .
O1 O 0.74977(12) -0.09693(12) 0.41881(10) 0.0186(4) Uani 1 1 d U . .
O2 O 0.86358(12) -0.02670(12) 0.43855(10) 0.0194(4) Uani 1 1 d U . .
O3 O 0.64866(13) 0.00684(12) 0.57622(10) 0.0189(4) Uani 1 1 d U . .
O4 O 0.72760(13) 0.11093(12) 0.55278(10) 0.0189(4) Uani 1 1 d U . .
O5 O 0.63066(12) 0.02387(12) 0.43599(10) 0.0180(4) Uani 1 1 d U . .
O6 O 0.74504(12) 0.09298(12) 0.41657(10) 0.0199(4) Uani 1 1 d U . .
O7 O 0.65405(13) 0.49537(11) 0.92313(9) 0.0182(4) Uani 1 1 d U . .
O8 O 0.73357(13) 0.39132(12) 0.94603(10) 0.0185(4) Uani 1 1 d U . .
S1 S 0.67437(4) 0.28891(4) 0.84221(3) 0.01861(14) Uani 1 1 d U . .
S2 S 0.67196(5) 0.21202(4) 0.65869(3) 0.01914(14) Uani 1 1 d U . .
S3 S 0.67354(4) 0.19965(4) 0.32029(4) 0.02073(14) Uani 1 1 d U . .
S4 S 0.82510(4) -0.20685(4) 0.32696(4) 0.02134(15) Uani 1 1 d U . .
Zn1 Zn 0.678963(19) -0.058875(18) 0.495615(14) 0.01343(7) Uani 1 1 d U . .
Zn2 Zn 0.814390(19) 0.058729(18) 0.495281(14) 0.01369(7) Uani 1 1 d U . .
N1 N 0.59316(15) -0.14380(15) 0.48651(12) 0.0187(5) Uani 1 1 d U . .
N2 N 0.89890(16) 0.14418(15) 0.48393(13) 0.0198(5) Uani 1 1 d U . .
H2N H 0.878(2) 0.183(2) 0.4813(18) 0.021(10) Uiso 1 1 d . . .
H1N H 0.621(3) -0.188(3) 0.486(2) 0.042(12) Uiso 1 1 d . . .
C55 C 0.7281(3) 0.2903(2) 0.49108(19) 0.0389(9) Uani 1 1 d DU . .
H56 H 0.7085 0.2523 0.5193 0.047 Uiso 1 1 calc R . .
C56 C 0.5922(3) 0.3467(4) 0.4925(3) 0.0671(15) Uani 1 1 d DU . .
H56A H 0.5858 0.3107 0.5279 0.101 Uiso 1 1 calc R . .
H56B H 0.5549 0.3331 0.4583 0.101 Uiso 1 1 calc R . .
H56C H 0.5809 0.3989 0.5071 0.101 Uiso 1 1 calc R . .
C57 C 0.6942(3) 0.3937(3) 0.4117(3) 0.0650(15) Uani 1 1 d DU . .
H57A H 0.7482 0.3814 0.3968 0.098 Uiso 1 1 calc R . .
H57B H 0.6921 0.4478 0.4244 0.098 Uiso 1 1 calc R . .
H57C H 0.6555 0.3845 0.3775 0.098 Uiso 1 1 calc R . .
O9 O 0.8005(2) 0.28725(18) 0.47802(18) 0.0587(10) Uani 1 1 d DU . .
N3 N 0.6736(2) 0.3426(2) 0.4691(2) 0.0531(10) Uani 1 1 d DU . .
C58 C 0.7529(2) -0.2849(2) 0.49449(17) 0.0313(7) Uani 1 1 d DU . .
H58 H 0.7719 -0.2346 0.4862 0.038 Uiso 1 1 calc R . .
C60 C 0.8941(3) -0.3242(3) 0.4934(3) 0.0650(15) Uani 1 1 d DU . .
H60A H 0.9149 -0.3547 0.4580 0.098 Uiso 1 1 calc R . .
H60B H 0.9227 -0.3378 0.5325 0.098 Uiso 1 1 calc R . .
H60C H 0.9018 -0.2695 0.4844 0.098 Uiso 1 1 calc R . .
C59 C 0.7849(3) -0.4210(2) 0.5127(2) 0.0466(10) Uani 1 1 d DU . .
H59A H 0.7275 -0.4237 0.5218 0.070 Uiso 1 1 calc R . .
H59B H 0.8152 -0.4411 0.5490 0.070 Uiso 1 1 calc R . .
H59C H 0.7968 -0.4517 0.4749 0.070 Uiso 1 1 calc R . .
O18 O 0.67813(16) -0.29350(15) 0.49807(13) 0.0351(6) Uani 1 1 d DU . .
N4 N 0.80801(19) -0.3400(2) 0.50126(17) 0.0394(7) Uani 1 1 d DU . .
C61 C 0.7785(7) -0.4164(7) 0.3262(5) 0.053(3) Uani 0.476(14) 1 d PDU A 1
H61 H 0.7428 -0.3754 0.3348 0.064 Uiso 0.476(14) 1 calc PR A 1
C62 C 0.6823(11) -0.4582(11) 0.2449(9) 0.061(5) Uani 0.476(14) 1 d PDU A 1
H62A H 0.6763 -0.5009 0.2150 0.092 Uiso 0.476(14) 1 calc PR A 1
H62B H 0.6846 -0.4098 0.2214 0.092 Uiso 0.476(14) 1 calc PR A 1
H62C H 0.6365 -0.4574 0.2738 0.092 Uiso 0.476(14) 1 calc PR A 1
C63 C 0.8061(10) -0.5348(6) 0.2622(7) 0.066(4) Uani 0.476(14) 1 d PDU A 1
H63A H 0.7787 -0.5649 0.2293 0.099 Uiso 0.476(14) 1 calc PR A 1
H63B H 0.8158 -0.5673 0.2995 0.099 Uiso 0.476(14) 1 calc PR A 1
H63C H 0.8572 -0.5161 0.2458 0.099 Uiso 0.476(14) 1 calc PR A 1
O19 O 0.8431(6) -0.4178(9) 0.3580(7) 0.067(3) Uani 0.476(14) 1 d PDU A 1
N5 N 0.7547(9) -0.4680(8) 0.2808(7) 0.063(4) Uani 0.476(14) 1 d PDU A 1
C61B C 0.8290(8) -0.4522(6) 0.3181(4) 0.059(3) Uani 0.524(14) 1 d PDU A 2
H61B H 0.8836 -0.4663 0.3234 0.071 Uiso 0.524(14) 1 calc PR A 2
C62B C 0.8206(7) -0.5564(7) 0.2382(5) 0.051(3) Uani 0.524(14) 1 d PDU A 2
H62D H 0.7802 -0.5779 0.2094 0.077 Uiso 0.524(14) 1 calc PR A 2
H62E H 0.8390 -0.5962 0.2677 0.077 Uiso 0.524(14) 1 calc PR A 2
H62F H 0.8661 -0.5375 0.2135 0.077 Uiso 0.524(14) 1 calc PR A 2
C63B C 0.6988(9) -0.4775(15) 0.2630(10) 0.098(8) Uani 0.524(14) 1 d PDU A 2
H63D H 0.6778 -0.5127 0.2306 0.147 Uiso 0.524(14) 1 calc PR A 2
H63E H 0.6920 -0.4245 0.2485 0.147 Uiso 0.524(14) 1 calc PR A 2
H63F H 0.6695 -0.4850 0.3028 0.147 Uiso 0.524(14) 1 calc PR A 2
O19B O 0.8042(9) -0.3973(7) 0.3529(7) 0.086(4) Uani 0.524(14) 1 d PDU A 2
N5B N 0.7860(7) -0.4935(8) 0.2738(5) 0.057(4) Uani 0.524(14) 1 d PDU A 2
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
N N 0.0061 0.0033 '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
O3 C1 O4 126.4(3) . .
O3 C1 C2 117.6(2) . .
O4 C1 C2 115.9(2) . .
C3 C2 C1 128.5(3) . .
C3 C2 S2 111.4(2) . .
C1 C2 S2 120.1(2) . .
C2 C3 C4 113.5(3) . .
C2 C3 H3 123.2 . .
C4 C3 H3 123.2 . .
C5 C4 C3 111.4(3) . .
C5 C4 C11 125.7(3) . .
C3 C4 C11 122.9(3) . .
C4 C5 C6 128.8(3) . .
C4 C5 S2 111.6(2) . .
C6 C5 S2 119.5(2) . .
C7 C6 C5 129.1(3) . .
C7 C6 S1 111.6(2) . .
C5 C6 S1 119.2(2) . .
C6 C7 C8 111.6(3) . .
C6 C7 C17 125.9(3) . .
C8 C7 C17 122.5(3) . .
C9 C8 C7 113.6(3) . .
C9 C8 H8 123.2 . .
C7 C8 H8 123.2 . .
C8 C9 C10 128.6(3) . .
C8 C9 S1 111.3(2) . .
C10 C9 S1 120.0(2) . .
O8 C10 O7 126.8(3) . .
O8 C10 C9 116.2(2) . .
O7 C10 C9 117.0(2) . .
C12 C11 C16 119.0(3) . .
C12 C11 C4 120.6(3) . .
C16 C11 C4 120.4(3) . .
C11 C12 C13 120.2(4) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C14 C13 C12 119.7(4) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
C15 C14 C13 120.5(4) . .
C15 C14 H14 119.7 . .
C13 C14 H14 119.7 . .
C14 C15 C16 120.1(4) . .
C14 C15 H15 119.9 . .
C16 C15 H15 119.9 . .
C15 C16 C11 120.4(4) . .
C15 C16 H16 119.8 . .
C11 C16 H16 119.8 . .
C18 C17 C22 117.8(3) . .
C18 C17 C7 120.2(3) . .
C22 C17 C7 122.0(3) . .
C19 C18 C17 120.8(4) . .
C19 C18 H18 119.6 . .
C17 C18 H18 119.6 . .
C20 C19 C18 120.4(4) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C21 C20 C19 119.6(4) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C20 C21 C22 120.2(4) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C21 C22 C17 121.2(4) . .
C21 C22 H22 119.4 . .
C17 C22 H22 119.4 . .
O1 C29 O2 127.2(3) . .
O1 C29 C30 116.9(2) . .
O2 C29 C30 116.0(3) . .
C31 C30 C29 128.4(3) . .
C31 C30 S4 111.7(2) . .
C29 C30 S4 119.9(2) . .
C30 C31 C32 113.7(3) . .
C30 C31 H31 123.2 . .
C32 C31 H31 123.2 . .
C33 C32 C31 111.2(3) . .
C33 C32 C34 125.8(3) . .
C31 C32 C34 123.1(3) . .
C32 C33 C44 129.4(3) . 2_645
C32 C33 S4 111.9(2) . .
C44 C33 S4 118.7(2) 2_645 .
C35 C34 C39 119.1(3) . .
C35 C34 C32 120.2(3) . .
C39 C34 C32 120.7(3) . .
C36 C35 C34 120.5(3) . .
C36 C35 H35 119.7 . .
C34 C35 H35 119.7 . .
C37 C36 C35 119.8(3) . .
C37 C36 H36 120.1 . .
C35 C36 H36 120.1 . .
C36 C37 C38 120.2(3) . .
C36 C37 H37 119.9 . .
C38 C37 H37 119.9 . .
C37 C38 C39 120.2(3) . .
C37 C38 H38 119.9 . .
C39 C38 H38 119.9 . .
C38 C39 C34 120.2(3) . .
C38 C39 H39 119.9 . .
C34 C39 H39 119.9 . .
O5 C40 O6 126.5(3) . .
O5 C40 C41 117.1(3) . .
O6 C40 C41 116.4(2) . .
C42 C41 C40 128.6(3) . .
C42 C41 S3 111.3(2) . .
C40 C41 S3 120.2(2) . .
C41 C42 C43 114.0(3) . .
C41 C42 H42 123.0 . .
C43 C42 H42 123.0 . .
C44 C43 C42 110.8(3) . .
C44 C43 C45 125.7(3) . .
C42 C43 C45 123.5(3) . .
C43 C44 C33 129.3(3) . 2_655
C43 C44 S3 112.0(2) . .
C33 C44 S3 118.6(2) 2_655 .
C46 C45 C50 117.8(3) . .
C46 C45 C43 120.7(3) . .
C50 C45 C43 121.5(3) . .
C47 C46 C45 120.6(3) . .
C47 C46 H46 119.7 . .
C45 C46 H46 119.7 . .
C48 C47 C46 120.1(3) . .
C48 C47 H47 120.0 . .
C46 C47 H47 120.0 . .
C49 C48 C47 120.1(3) . .
C49 C48 H48 120.0 . .
C47 C48 H48 120.0 . .
C50 C49 C48 119.8(3) . .
C50 C49 H49 120.1 . .
C48 C49 H49 120.1 . .
C49 C50 C45 121.6(3) . .
C49 C50 H50 119.2 . .
C45 C50 H50 119.2 . .
N1 C52 H52A 109.5 . .
N1 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
N1 C52 H52C 109.5 . .
H52A C52 H52C 109.5 . .
H52B C52 H52C 109.5 . .
N1 C51 H51A 109.5 . .
N1 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
N1 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
N2 C53 H53A 109.5 . .
N2 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N2 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N2 C54 H54A 109.5 . .
N2 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
N2 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C29 O1 Zn1 125.24(18) . .
C29 O2 Zn2 124.77(19) . .
C1 O3 Zn1 123.57(18) . .
C1 O4 Zn2 124.68(18) . .
C40 O5 Zn1 124.86(18) . .
C40 O6 Zn2 125.86(18) . .
C10 O7 Zn2 122.20(18) . 2_656
C10 O8 Zn1 126.09(18) . 2_656
C9 S1 C6 91.88(14) . .
C2 S2 C5 92.11(14) . .
C41 S3 C44 91.85(14) . .
C30 S4 C33 91.56(14) . .
N1 Zn1 O5 100.01(10) . .
N1 Zn1 O8 103.84(9) . 2_646
O5 Zn1 O8 155.88(8) . 2_646
N1 Zn1 O3 107.13(9) . .
O5 Zn1 O3 90.88(8) . .
O8 Zn1 O3 85.54(8) 2_646 .
N1 Zn1 O1 95.40(9) . .
O5 Zn1 O1 88.44(8) . .
O8 Zn1 O1 85.84(8) 2_646 .
O3 Zn1 O1 157.22(8) . .
N1 Zn1 Zn2 173.38(7) . .
O5 Zn1 Zn2 79.52(6) . .
O8 Zn1 Zn2 76.37(6) 2_646 .
O3 Zn1 Zn2 79.49(6) . .
O1 Zn1 Zn2 78.00(6) . .
N2 Zn2 O2 100.25(10) . .
N2 Zn2 O4 103.17(10) . .
O2 Zn2 O4 156.41(8) . .
N2 Zn2 O6 94.51(10) . .
O2 Zn2 O6 88.19(9) . .
O4 Zn2 O6 87.24(8) . .
N2 Zn2 O7 107.64(10) . 2_646
O2 Zn2 O7 89.70(8) . 2_646
O4 Zn2 O7 85.89(8) . 2_646
O6 Zn2 O7 157.76(8) . 2_646
N2 Zn2 Zn1 172.19(8) . .
O2 Zn2 Zn1 79.34(6) . .
O4 Zn2 Zn1 77.07(6) . .
O6 Zn2 Zn1 77.68(6) . .
O7 Zn2 Zn1 80.17(6) 2_646 .
C51 N1 C52 110.9(3) . .
C51 N1 Zn1 112.4(2) . .
C52 N1 Zn1 112.8(2) . .
C51 N1 H1N 108(3) . .
C52 N1 H1N 107(3) . .
Zn1 N1 H1N 105(3) . .
C53 N2 C54 111.9(3) . .
C53 N2 Zn2 113.4(2) . .
C54 N2 Zn2 113.1(2) . .
C53 N2 H2N 107(3) . .
C54 N2 H2N 100(3) . .
Zn2 N2 H2N 110(3) . .
O9 C55 N3 126.9(4) . .
O9 C55 H56 116.5 . .
N3 C55 H56 116.5 . .
N3 C56 H56A 109.5 . .
N3 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
N3 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
N3 C57 H57A 109.5 . .
N3 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
N3 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C55 N3 C56 122.8(4) . .
C55 N3 C57 120.0(4) . .
C56 N3 C57 116.8(4) . .
O18 C58 N4 126.2(3) . .
O18 C58 H58 116.9 . .
N4 C58 H58 116.9 . .
N4 C60 H60A 109.5 . .
N4 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N4 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
N4 C59 H59A 109.5 . .
N4 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N4 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
C58 N4 C60 121.7(4) . .
C58 N4 C59 121.4(3) . .
C60 N4 C59 116.8(4) . .
O19 C61 N5 126.9(12) . .
O19 C61 H61 116.6 . .
N5 C61 H61 116.6 . .
N5 C62 H62A 109.5 . .
N5 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
N5 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
N5 C63 H63A 109.5 . .
N5 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N5 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C61 N5 C62 122.1(12) . .
C61 N5 C63 121.8(12) . .
C62 N5 C63 115.9(11) . .
O19B C61B N5B 127.6(13) . .
O19B C61B H61B 116.2 . .
N5B C61B H61B 116.2 . .
N5B C62B H62D 109.5 . .
N5B C62B H62E 109.5 . .
H62D C62B H62E 109.5 . .
N5B C62B H62F 109.5 . .
H62D C62B H62F 109.5 . .
H62E C62B H62F 109.5 . .
N5B C63B H63D 109.5 . .
N5B C63B H63E 109.5 . .
H63D C63B H63E 109.5 . .
N5B C63B H63F 109.5 . .
H63D C63B H63F 109.5 . .
H63E C63B H63F 109.5 . .
C61B N5B C62B 122.4(10) . .
C61B N5B C63B 120.6(12) . .
C62B N5B C63B 116.9(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O3 1.255(3) .
C1 O4 1.266(3) .
C1 C2 1.487(4) .
C2 C3 1.362(4) .
C2 S2 1.717(3) .
C3 C4 1.427(4) .
C3 H3 0.9300 .
C4 C5 1.384(4) .
C4 C11 1.477(4) .
C5 C6 1.470(4) .
C5 S2 1.721(3) .
C6 C7 1.382(4) .
C6 S1 1.722(3) .
C7 C8 1.420(4) .
C7 C17 1.478(4) .
C8 C9 1.364(4) .
C8 H8 0.9300 .
C9 C10 1.486(4) .
C9 S1 1.721(3) .
C10 O8 1.256(3) .
C10 O7 1.262(3) .
C11 C12 1.386(5) .
C11 C16 1.403(5) .
C12 C13 1.400(5) .
C12 H12 0.9300 .
C13 C14 1.384(6) .
C13 H13 0.9300 .
C14 C15 1.373(7) .
C14 H14 0.9300 .
C15 C16 1.382(5) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.388(5) .
C17 C22 1.398(5) .
C18 C19 1.381(5) .
C18 H18 0.9300 .
C19 C20 1.380(6) .
C19 H19 0.9300 .
C20 C21 1.372(6) .
C20 H20 0.9300 .
C21 C22 1.375(5) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C29 O1 1.254(4) .
C29 O2 1.259(3) .
C29 C30 1.484(4) .
C30 C31 1.360(4) .
C30 S4 1.715(3) .
C31 C32 1.421(4) .
C31 H31 0.9300 .
C32 C33 1.380(4) .
C32 C34 1.488(4) .
C33 C44 1.460(4) 2_645
C33 S4 1.726(3) .
C34 C35 1.390(4) .
C34 C39 1.395(4) .
C35 C36 1.387(4) .
C35 H35 0.9300 .
C36 C37 1.379(5) .
C36 H36 0.9300 .
C37 C38 1.382(6) .
C37 H37 0.9300 .
C38 C39 1.384(5) .
C38 H38 0.9300 .
C39 H39 0.9300 .
C40 O5 1.257(3) .
C40 O6 1.263(3) .
C40 C41 1.478(4) .
C41 C42 1.365(4) .
C41 S3 1.718(3) .
C42 C43 1.426(4) .
C42 H42 0.9300 .
C43 C44 1.385(4) .
C43 C45 1.475(4) .
C44 C33 1.460(4) 2_655
C44 S3 1.727(3) .
C45 C46 1.396(4) .
C45 C50 1.398(4) .
C46 C47 1.393(5) .
C46 H46 0.9300 .
C47 C48 1.383(5) .
C47 H47 0.9300 .
C48 C49 1.380(6) .
C48 H48 0.9300 .
C49 C50 1.379(5) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C52 N1 1.470(4) .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C51 N1 1.461(4) .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C53 N2 1.455(4) .
C53 H53A 0.9600 .
C53 H53B 0.9600 .
C53 H53C 0.9600 .
C54 N2 1.459(5) .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
O1 Zn1 2.071(2) .
O2 Zn2 2.038(2) .
O3 Zn1 2.068(2) .
O4 Zn2 2.057(2) .
O5 Zn1 2.031(2) .
O6 Zn2 2.062(2) .
O7 Zn2 2.064(2) 2_656
O8 Zn1 2.051(2) 2_656
Zn1 N1 2.027(3) .
Zn1 O8 2.051(2) 2_646
Zn1 Zn2 2.9906(8) .
Zn2 N2 2.025(3) .
Zn2 O7 2.064(2) 2_646
N1 H1N 0.88(5) .
N2 H2N 0.74(4) .
C55 O9 1.216(5) .
C55 N3 1.340(5) .
C55 H56 0.9300 .
C56 N3 1.421(5) .
C56 H56A 0.9600 .
C56 H56B 0.9600 .
C56 H56C 0.9600 .
C57 N3 1.510(6) .
C57 H57A 0.9600 .
C57 H57B 0.9600 .
C57 H57C 0.9600 .
C58 O18 1.235(4) .
C58 N4 1.310(5) .
C58 H58 0.9300 .
C60 N4 1.444(5) .
C60 H60A 0.9600 .
C60 H60B 0.9600 .
C60 H60C 0.9600 .
C59 N4 1.453(5) .
C59 H59A 0.9600 .
C59 H59B 0.9600 .
C59 H59C 0.9600 .
C61 O19 1.243(11) .
C61 N5 1.341(11) .
C61 H61 0.9300 .
C62 N5 1.404(13) .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 N5 1.470(12) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C61B O19B 1.248(12) .
C61B N5B 1.351(10) .
C61B H61B 0.9300 .
C62B N5B 1.419(11) .
C62B H62D 0.9600 .
C62B H62E 0.9600 .
C62B H62F 0.9600 .
C63B N5B 1.469(13) .
C63B H63D 0.9600 .
C63B H63E 0.9600 .
C63B H63F 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O3 C1 C2 C3 10.3(4) . .
O4 C1 C2 C3 -168.6(3) . .
O3 C1 C2 S2 -171.8(2) . .
O4 C1 C2 S2 9.3(3) . .
C1 C2 C3 C4 178.9(3) . .
S2 C2 C3 C4 0.8(3) . .
C2 C3 C4 C5 0.1(4) . .
C2 C3 C4 C11 178.5(3) . .
C3 C4 C5 C6 -178.0(3) . .
C11 C4 C5 C6 3.6(5) . .
C3 C4 C5 S2 -0.9(3) . .
C11 C4 C5 S2 -179.3(3) . .
C4 C5 C6 C7 -117.0(4) . .
S2 C5 C6 C7 66.2(4) . .
C4 C5 C6 S1 66.4(4) . .
S2 C5 C6 S1 -110.5(2) . .
C5 C6 C7 C8 -177.6(3) . .
S1 C6 C7 C8 -0.8(3) . .
C5 C6 C7 C17 3.7(5) . .
S1 C6 C7 C17 -179.5(3) . .
C6 C7 C8 C9 0.2(4) . .
C17 C7 C8 C9 179.0(3) . .
C7 C8 C9 C10 177.1(3) . .
C7 C8 C9 S1 0.5(3) . .
C8 C9 C10 O8 -168.8(3) . .
S1 C9 C10 O8 7.6(3) . .
C8 C9 C10 O7 10.9(4) . .
S1 C9 C10 O7 -172.8(2) . .
C5 C4 C11 C12 -140.1(4) . .
C3 C4 C11 C12 41.7(5) . .
C5 C4 C11 C16 42.0(5) . .
C3 C4 C11 C16 -136.2(3) . .
C16 C11 C12 C13 0.5(6) . .
C4 C11 C12 C13 -177.5(4) . .
C11 C12 C13 C14 -0.1(7) . .
C12 C13 C14 C15 -0.2(7) . .
C13 C14 C15 C16 0.1(7) . .
C14 C15 C16 C11 0.4(6) . .
C12 C11 C16 C15 -0.6(5) . .
C4 C11 C16 C15 177.3(3) . .
C6 C7 C17 C18 -143.4(3) . .
C8 C7 C17 C18 38.0(5) . .
C6 C7 C17 C22 39.1(5) . .
C8 C7 C17 C22 -139.5(3) . .
C22 C17 C18 C19 0.0(6) . .
C7 C17 C18 C19 -177.6(3) . .
C17 C18 C19 C20 -0.3(6) . .
C18 C19 C20 C21 0.4(7) . .
C19 C20 C21 C22 -0.2(6) . .
C20 C21 C22 C17 -0.1(6) . .
C18 C17 C22 C21 0.2(5) . .
C7 C17 C22 C21 177.8(3) . .
O1 C29 C30 C31 166.6(3) . .
O2 C29 C30 C31 -13.5(4) . .
O1 C29 C30 S4 -11.5(4) . .
O2 C29 C30 S4 168.4(2) . .
C29 C30 C31 C32 -177.5(3) . .
S4 C30 C31 C32 0.7(3) . .
C30 C31 C32 C33 -1.4(4) . .
C30 C31 C32 C34 177.7(3) . .
C31 C32 C33 C44 -178.4(3) . 2_645
C34 C32 C33 C44 2.4(5) . 2_645
C31 C32 C33 S4 1.4(3) . .
C34 C32 C33 S4 -177.7(2) . .
C33 C32 C34 C35 -143.6(3) . .
C31 C32 C34 C35 37.4(4) . .
C33 C32 C34 C39 38.7(5) . .
C31 C32 C34 C39 -140.3(3) . .
C39 C34 C35 C36 0.8(5) . .
C32 C34 C35 C36 -176.9(3) . .
C34 C35 C36 C37 -1.2(5) . .
C35 C36 C37 C38 0.6(5) . .
C36 C37 C38 C39 0.3(6) . .
C37 C38 C39 C34 -0.7(5) . .
C35 C34 C39 C38 0.2(5) . .
C32 C34 C39 C38 177.9(3) . .
O5 C40 C41 C42 -12.6(4) . .
O6 C40 C41 C42 167.5(3) . .
O5 C40 C41 S3 168.9(2) . .
O6 C40 C41 S3 -11.0(4) . .
C40 C41 C42 C43 -178.7(3) . .
S3 C41 C42 C43 -0.1(3) . .
C41 C42 C43 C44 -0.6(4) . .
C41 C42 C43 C45 178.2(3) . .
C42 C43 C44 C33 -176.9(3) . 2_655
C45 C43 C44 C33 4.4(5) . 2_655
C42 C43 C44 S3 1.0(3) . .
C45 C43 C44 S3 -177.8(2) . .
C44 C43 C45 C46 -141.6(3) . .
C42 C43 C45 C46 39.8(4) . .
C44 C43 C45 C50 40.1(5) . .
C42 C43 C45 C50 -138.5(3) . .
C50 C45 C46 C47 1.2(5) . .
C43 C45 C46 C47 -177.2(3) . .
C45 C46 C47 C48 -1.0(5) . .
C46 C47 C48 C49 0.0(6) . .
C47 C48 C49 C50 0.8(6) . .
C48 C49 C50 C45 -0.5(6) . .
C46 C45 C50 C49 -0.5(5) . .
C43 C45 C50 C49 177.9(3) . .
O2 C29 O1 Zn1 -11.2(4) . .
C30 C29 O1 Zn1 168.74(18) . .
O1 C29 O2 Zn2 -13.8(4) . .
C30 C29 O2 Zn2 166.31(18) . .
O4 C1 O3 Zn1 -2.8(4) . .
C2 C1 O3 Zn1 178.46(17) . .
O3 C1 O4 Zn2 -27.1(4) . .
C2 C1 O4 Zn2 151.74(19) . .
O6 C40 O5 Zn1 -13.8(4) . .
C41 C40 O5 Zn1 166.41(18) . .
O5 C40 O6 Zn2 -11.5(4) . .
C41 C40 O6 Zn2 168.27(18) . .
O8 C10 O7 Zn2 -5.0(4) . 2_656
C9 C10 O7 Zn2 175.38(17) . 2_656
O7 C10 O8 Zn1 -24.9(4) . 2_656
C9 C10 O8 Zn1 154.71(18) . 2_656
C8 C9 S1 C6 -0.8(2) . .
C10 C9 S1 C6 -177.8(2) . .
C7 C6 S1 C9 0.9(2) . .
C5 C6 S1 C9 178.1(2) . .
C3 C2 S2 C5 -1.1(2) . .
C1 C2 S2 C5 -179.4(2) . .
C4 C5 S2 C2 1.2(2) . .
C6 C5 S2 C2 178.5(2) . .
C42 C41 S3 C44 0.5(2) . .
C40 C41 S3 C44 179.3(2) . .
C43 C44 S3 C41 -0.9(2) . .
C33 C44 S3 C41 177.2(2) 2_655 .
C31 C30 S4 C33 0.1(2) . .
C29 C30 S4 C33 178.5(2) . .
C32 C33 S4 C30 -0.9(2) . .
C44 C33 S4 C30 179.0(3) 2_645 .
C40 O5 Zn1 N1 -152.8(2) . .
C40 O5 Zn1 O8 18.6(3) . 2_646
C40 O5 Zn1 O3 99.6(2) . .
C40 O5 Zn1 O1 -57.6(2) . .
C40 O5 Zn1 Zn2 20.5(2) . .
C1 O3 Zn1 N1 -162.0(2) . .
C1 O3 Zn1 O5 -61.2(2) . .
C1 O3 Zn1 O8 94.9(2) . 2_646
C1 O3 Zn1 O1 26.8(4) . .
C1 O3 Zn1 Zn2 18.0(2) . .
C29 O1 Zn1 N1 -161.4(2) . .
C29 O1 Zn1 O5 98.7(2) . .
C29 O1 Zn1 O8 -57.9(2) . 2_646
C29 O1 Zn1 O3 10.1(4) . .
C29 O1 Zn1 Zn2 19.1(2) . .
C29 O2 Zn2 N2 -151.7(2) . .
C29 O2 Zn2 O4 21.4(4) . .
C29 O2 Zn2 O6 -57.5(2) . .
C29 O2 Zn2 O7 100.4(2) . 2_646
C29 O2 Zn2 Zn1 20.3(2) . .
C1 O4 Zn2 N2 -158.9(2) . .
C1 O4 Zn2 O2 28.0(3) . .
C1 O4 Zn2 O6 107.1(2) . .
C1 O4 Zn2 O7 -51.8(2) . 2_646
C1 O4 Zn2 Zn1 29.1(2) . .
C40 O6 Zn2 N2 -161.0(2) . .
C40 O6 Zn2 O2 98.9(2) . .
C40 O6 Zn2 O4 -58.0(2) . .
C40 O6 Zn2 O7 14.1(4) . 2_646
C40 O6 Zn2 Zn1 19.4(2) . .
N1 Zn1 Zn2 N2 68.0(9) . .
O5 Zn1 Zn2 N2 -18.5(6) . .
O8 Zn1 Zn2 N2 160.7(6) 2_646 .
O3 Zn1 Zn2 N2 -111.4(6) . .
O1 Zn1 Zn2 N2 72.1(6) . .
N1 Zn1 Zn2 O2 -19.7(7) . .
O5 Zn1 Zn2 O2 -106.25(9) . .
O8 Zn1 Zn2 O2 72.96(9) 2_646 .
O3 Zn1 Zn2 O2 160.88(8) . .
O1 Zn1 Zn2 O2 -15.62(8) . .
N1 Zn1 Zn2 O4 160.7(7) . .
O5 Zn1 Zn2 O4 74.19(8) . .
O8 Zn1 Zn2 O4 -106.60(8) 2_646 .
O3 Zn1 Zn2 O4 -18.68(8) . .
O1 Zn1 Zn2 O4 164.82(8) . .
N1 Zn1 Zn2 O6 70.8(7) . .
O5 Zn1 Zn2 O6 -15.78(8) . .
O8 Zn1 Zn2 O6 163.43(8) 2_646 .
O3 Zn1 Zn2 O6 -108.65(9) . .
O1 Zn1 Zn2 O6 74.85(9) . .
N1 Zn1 Zn2 O7 -111.3(7) . 2_646
O5 Zn1 Zn2 O7 162.20(8) . 2_646
O8 Zn1 Zn2 O7 -18.60(8) 2_646 2_646
O3 Zn1 Zn2 O7 69.32(8) . 2_646
O1 Zn1 Zn2 O7 -107.17(8) . 2_646
O5 Zn1 N1 C51 23.4(2) . .
O8 Zn1 N1 C51 -153.0(2) 2_646 .
O3 Zn1 N1 C51 117.4(2) . .
O1 Zn1 N1 C51 -66.0(2) . .
Zn2 Zn1 N1 C51 -62.0(7) . .
O5 Zn1 N1 C52 -102.9(2) . .
O8 Zn1 N1 C52 80.7(3) 2_646 .
O3 Zn1 N1 C52 -8.9(3) . .
O1 Zn1 N1 C52 167.7(2) . .
Zn2 Zn1 N1 C52 171.7(6) . .
O2 Zn2 N2 C53 20.5(3) . .
O4 Zn2 N2 C53 -156.7(3) . .
O6 Zn2 N2 C53 -68.5(3) . .
O7 Zn2 N2 C53 113.5(3) 2_646 .
Zn1 Zn2 N2 C53 -65.8(7) . .
O2 Zn2 N2 C54 -108.4(3) . .
O4 Zn2 N2 C54 74.4(3) . .
O6 Zn2 N2 C54 162.6(3) . .
O7 Zn2 N2 C54 -15.4(3) 2_646 .
Zn1 Zn2 N2 C54 165.3(5) . .
O9 C55 N3 C56 -173.0(5) . .
O9 C55 N3 C57 14.7(8) . .
O18 C58 N4 C60 177.3(4) . .
O18 C58 N4 C59 1.5(6) . .
O19 C61 N5 C62 -176.1(18) . .
O19 C61 N5 C63 -1(3) . .
O19B C61B N5B C62B -178.4(13) . .
O19B C61B N5B C63B -2(2) . .
