#------------------------------------------------------------------------------
#$Date: 2016-03-26 16:17:52 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180386 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/55/7205598.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_7205598
loop_
_publ_author_name
'Zhu, Qin-Yu'
'Yu, Lei'
'Qin, Yu-Rong'
'Huo, Li-Bin'
'Shao, Ming-Yan'
'Dai, Jie'
_publ_section_title
;
 Anion-dependent crystallization of zinc complexes with the ligand
 4′,5′-diaza-9′-(4,5-disubstituted-1,3-dithiol-2-ylidene)
 fluorene: Structures and spectroscopic properties
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2521
_journal_paper_doi               10.1039/c0ce00424c
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C55.5 H54 Cl6 N6 O1.5 S12 Zn3'
_chemical_formula_weight         1622.66
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 94.519(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.617(5)
_cell_length_b                   11.331(2)
_cell_length_c                   24.005(5)
_cell_measurement_reflns_used    22104
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     6946(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0384
_diffrn_reflns_av_sigmaI/netI    0.0743
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23903
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    1.664
_exptl_absorpt_correction_T_max  0.7320
_exptl_absorpt_correction_T_min  0.2870
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3336
_exptl_crystal_size_max          1.00
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.947
_refine_diff_density_min         -1.447
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         12780
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.1267
_refine_ls_R_factor_gt           0.1003
_refine_ls_shift/su_max          0.057
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1353P)²+15.5747P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2698
_refine_ls_wR_factor_ref         0.2934
_reflns_number_gt                9588
_reflns_number_total             12780
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00424c.txt
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               7205598
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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
Zn1 Zn 0.72736(4) 0.21232(8) 0.38831(3) 0.0429(3) Uani 1 1 d . . .
Zn2 Zn 0.52641(4) -0.10341(9) 0.62581(4) 0.0500(3) Uani 1 1 d . . .
Zn3 Zn 0.97031(7) 0.33448(18) 0.06732(8) 0.1155(6) Uani 1 1 d . . .
Cl1 Cl 0.73219(9) 0.01687(17) 0.39649(8) 0.0503(5) Uani 1 1 d . . .
Cl2 Cl 0.46762(12) 0.0380(3) 0.61852(10) 0.0842(9) Uani 1 1 d . . .
Cl3 Cl 0.50287(10) -0.2898(2) 0.62426(11) 0.0709(7) Uani 1 1 d . . .
Cl4 Cl 0.9447(3) 0.3422(7) -0.0282(3) 0.1326(13) Uiso 0.619(6) 1 d P A 1
Cl5 Cl 1.0425(3) 0.2405(8) 0.0865(4) 0.1326(13) Uiso 0.619(6) 1 d P A 1
Cl6 Cl 0.8970(4) 0.2905(8) 0.1062(5) 0.1326(13) Uiso 0.619(6) 1 d P A 1
Cl4' Cl 0.9740(6) 0.2899(12) -0.0221(6) 0.1326(13) Uiso 0.381(6) 1 d P A 2
Cl5' Cl 1.0501(5) 0.3019(12) 0.1161(6) 0.1326(13) Uiso 0.381(6) 1 d P A 2
Cl6' Cl 0.9018(7) 0.3274(13) 0.1141(7) 0.1326(13) Uiso 0.381(6) 1 d P A 2
S1 S 0.64257(9) 0.39367(18) 0.09886(8) 0.0491(5) Uani 1 1 d . . .
S2 S 0.74943(9) 0.31911(19) 0.08496(8) 0.0497(5) Uani 1 1 d . . .
S3 S 0.62086(11) 0.4668(2) -0.02133(9) 0.0638(6) Uani 1 1 d . . .
S4 S 0.74209(11) 0.3721(2) -0.03856(9) 0.0685(7) Uani 1 1 d . . .
S5 S 0.80529(9) 0.4278(2) 0.67321(9) 0.0531(5) Uani 1 1 d . . .
S6 S 0.69873(9) 0.35543(19) 0.68992(8) 0.0498(5) Uani 1 1 d . . .
S7 S 0.83072(13) 0.4826(3) 0.79582(10) 0.0771(8) Uani 1 1 d D . .
S8 S 0.70911(12) 0.4104(2) 0.81300(9) 0.0660(7) Uani 1 1 d D . .
S9 S 0.80015(10) 0.0460(3) 0.59170(14) 0.0773(8) Uani 1 1 d . . .
S10 S 0.79492(10) 0.0874(2) 0.71023(13) 0.0741(8) Uani 1 1 d . . .
S11 S 0.91245(16) 0.1263(5) 0.5920(2) 0.146(2) Uani 1 1 d D . .
S12 S 0.90745(15) 0.1672(4) 0.7260(2) 0.1255(15) Uani 1 1 d D . .
O1 O 0.9781(6) 0.5075(13) 0.0799(6) 0.169(5) Uiso 1 1 d D A .
N1 N 0.6738(3) 0.2891(5) 0.3300(2) 0.0406(14) Uani 1 1 d . . .
N2 N 0.7800(3) 0.2234(5) 0.3156(3) 0.0441(15) Uani 1 1 d . . .
N3 N 0.7748(3) 0.3052(6) 0.4451(3) 0.0442(15) Uani 1 1 d . . .
N4 N 0.6677(3) 0.2353(5) 0.4617(2) 0.0413(14) Uani 1 1 d . . .
N5 N 0.5874(2) -0.0784(5) 0.5729(3) 0.0417(14) Uani 1 1 d . . .
N6 N 0.5838(3) -0.0644(6) 0.6917(3) 0.0480(16) Uani 1 1 d . . .
C1 C 0.6241(3) 0.3235(7) 0.3293(3) 0.0478(19) Uani 1 1 d . . .
H1 H 0.6073 0.3225 0.3627 0.057 Uiso 1 1 calc R . .
C2 C 0.5964(3) 0.3607(8) 0.2805(4) 0.055(2) Uani 1 1 d . . .
H2 H 0.5616 0.3856 0.2823 0.066 Uiso 1 1 calc R . .
C3 C 0.6176(3) 0.3630(7) 0.2297(3) 0.0450(18) Uani 1 1 d . . .
H3 H 0.5980 0.3876 0.1971 0.054 Uiso 1 1 calc R . .
C4 C 0.6701(3) 0.3267(6) 0.2290(3) 0.0397(16) Uani 1 1 d . . .
C5 C 0.6953(3) 0.2926(6) 0.2807(3) 0.0381(16) Uani 1 1 d . . .
C6 C 0.8288(3) 0.1943(7) 0.3012(3) 0.0507(19) Uani 1 1 d . . .
H6 H 0.8539 0.1676 0.3290 0.061 Uiso 1 1 calc R . .
C7 C 0.8421(3) 0.2032(7) 0.2472(3) 0.0490(19) Uani 1 1 d . . .
H7 H 0.8763 0.1829 0.2393 0.059 Uiso 1 1 calc R . .
C8 C 0.8072(3) 0.2408(7) 0.2036(3) 0.0472(18) Uani 1 1 d . . .
H8 H 0.8170 0.2468 0.1668 0.057 Uiso 1 1 calc R . .
C9 C 0.7567(3) 0.2694(6) 0.2172(3) 0.0400(16) Uani 1 1 d . . .
C10 C 0.7467(3) 0.2588(6) 0.2736(3) 0.0374(16) Uani 1 1 d . . .
C11 C 0.7084(3) 0.3138(6) 0.1872(3) 0.0397(16) Uani 1 1 d . . .
C12 C 0.7008(3) 0.3382(6) 0.1308(3) 0.0418(17) Uani 1 1 d . . .
C13 C 0.6633(4) 0.3994(7) 0.0305(3) 0.053(2) Uani 1 1 d . . .
C14 C 0.7124(4) 0.3652(7) 0.0244(3) 0.050(2) Uani 1 1 d . . .
C15 C 0.5650(5) 0.3686(11) -0.0277(6) 0.091(4) Uani 1 1 d . . .
H15A H 0.5759 0.2901 -0.0393 0.109 Uiso 1 1 calc R . .
H15B H 0.5500 0.3612 0.0085 0.109 Uiso 1 1 calc R . .
C16 C 0.5253(5) 0.4173(13) -0.0698(7) 0.112(5) Uani 1 1 d . . .
H16A H 0.5211 0.5012 -0.0633 0.168 Uiso 1 1 calc R . .
H16B H 0.4921 0.3776 -0.0667 0.168 Uiso 1 1 calc R . .
H16C H 0.5368 0.4051 -0.1069 0.168 Uiso 1 1 calc R . .
C17 C 0.7974(5) 0.2674(13) -0.0278(4) 0.094(4) Uani 1 1 d . . .
H17A H 0.8226 0.2954 0.0021 0.113 Uiso 1 1 calc R . .
H17B H 0.7847 0.1894 -0.0174 0.113 Uiso 1 1 calc R . .
C18 C 0.8230(6) 0.2603(15) -0.0826(6) 0.119(5) Uani 1 1 d . . .
H18A H 0.7977 0.2314 -0.1117 0.179 Uiso 1 1 calc R . .
H18B H 0.8526 0.2069 -0.0786 0.179 Uiso 1 1 calc R . .
H18C H 0.8349 0.3382 -0.0927 0.179 Uiso 1 1 calc R . .
C19 C 0.8237(4) 0.3486(9) 0.4445(4) 0.062(2) Uani 1 1 d . . .
H19 H 0.8400 0.3476 0.4108 0.074 Uiso 1 1 calc R . .
C20 C 0.8510(4) 0.3952(10) 0.4922(4) 0.070(3) Uani 1 1 d . . .
H20 H 0.8855 0.4222 0.4904 0.085 Uiso 1 1 calc R . .
C21 C 0.8273(4) 0.4020(9) 0.5427(4) 0.062(2) Uani 1 1 d . . .
H21 H 0.8451 0.4348 0.5748 0.074 Uiso 1 1 calc R . .
C22 C 0.7768(3) 0.3592(7) 0.5441(3) 0.0449(18) Uani 1 1 d . . .
C23 C 0.7525(3) 0.3153(6) 0.4939(3) 0.0412(17) Uani 1 1 d . . .
C24 C 0.6197(3) 0.2084(7) 0.4760(3) 0.0470(18) Uani 1 1 d . . .
H24 H 0.5950 0.1787 0.4484 0.056 Uiso 1 1 calc R . .
C25 C 0.6050(3) 0.2227(7) 0.5299(3) 0.0486(19) Uani 1 1 d . . .
H25 H 0.5709 0.2017 0.5382 0.058 Uiso 1 1 calc R . .
C26 C 0.6402(3) 0.2682(7) 0.5725(3) 0.0495(19) Uani 1 1 d . . .
H26 H 0.6305 0.2778 0.6092 0.059 Uiso 1 1 calc R . .
C27 C 0.6903(3) 0.2986(6) 0.5581(3) 0.0423(17) Uani 1 1 d . . .
C28 C 0.6998(3) 0.2786(6) 0.5015(3) 0.0357(15) Uani 1 1 d . . .
C29 C 0.7382(3) 0.3481(7) 0.5869(3) 0.0439(17) Uani 1 1 d . . .
C30 C 0.7461(3) 0.3729(7) 0.6433(3) 0.0471(19) Uani 1 1 d . . .
C31 C 0.7869(4) 0.4296(7) 0.7424(3) 0.050(2) Uani 1 1 d . . .
C32 C 0.7379(4) 0.3965(7) 0.7498(3) 0.050(2) Uani 1 1 d . . .
C33 C 0.8905(10) 0.494(4) 0.7602(13) 0.111(4) Uiso 0.50 1 d PD . .
C33' C 0.8960(8) 0.422(2) 0.8011(12) 0.111(4) Uiso 0.50 1 d PD . .
C34 C 0.9331(12) 0.539(3) 0.8009(12) 0.111(4) Uiso 0.50 1 d PD . .
C34' C 0.8991(14) 0.506(4) 0.7542(14) 0.111(4) Uiso 0.50 1 d PD . .
C35 C 0.6866(10) 0.2579(16) 0.8235(13) 0.073(3) Uiso 0.50 1 d PD . .
C35' C 0.6760(9) 0.2665(16) 0.8184(13) 0.073(3) Uiso 0.50 1 d PD . .
C36 C 0.6410(9) 0.249(2) 0.8589(9) 0.073(3) Uiso 0.50 1 d PD . .
C36' C 0.6256(9) 0.286(2) 0.8435(10) 0.073(3) Uiso 0.50 1 d PD . .
C37 C 0.5949(3) -0.0834(7) 0.5184(3) 0.0451(18) Uani 1 1 d . . .
H37 H 0.5664 -0.0997 0.4924 0.054 Uiso 1 1 calc R . .
C38 C 0.6445(4) -0.0648(7) 0.4995(3) 0.052(2) Uani 1 1 d . . .
H38 H 0.6487 -0.0715 0.4611 0.062 Uiso 1 1 calc R . .
C39 C 0.6869(3) -0.0372(7) 0.5351(3) 0.049(2) Uani 1 1 d . . .
H39 H 0.7200 -0.0246 0.5216 0.058 Uiso 1 1 calc R . .
C40 C 0.6798(3) -0.0280(6) 0.5925(3) 0.0450(18) Uani 1 1 d . . .
C41 C 0.6289(3) -0.0512(6) 0.6069(3) 0.0414(17) Uani 1 1 d . . .
C42 C 0.5889(4) -0.0527(8) 0.7482(3) 0.053(2) Uani 1 1 d . . .
H42 H 0.5593 -0.0640 0.7683 0.064 Uiso 1 1 calc R . .
C43 C 0.6360(4) -0.0248(7) 0.7769(3) 0.055(2) Uani 1 1 d . . .
H43 H 0.6380 -0.0198 0.8161 0.066 Uiso 1 1 calc R . .
C44 C 0.6808(4) -0.0039(7) 0.7489(3) 0.052(2) Uani 1 1 d . . .
H44 H 0.7129 0.0140 0.7688 0.062 Uiso 1 1 calc R . .
C45 C 0.6768(3) -0.0103(6) 0.6903(3) 0.0451(18) Uani 1 1 d . . .
C46 C 0.6277(3) -0.0431(6) 0.6662(3) 0.0430(17) Uani 1 1 d . . .
C47 C 0.7110(3) 0.0007(6) 0.6449(4) 0.0468(18) Uani 1 1 d . . .
C48 C 0.7624(4) 0.0380(7) 0.6479(4) 0.057(2) Uani 1 1 d . . .
C49 C 0.8580(4) 0.0937(11) 0.6289(7) 0.092(4) Uani 1 1 d . . .
C50 C 0.8562(4) 0.1081(10) 0.6835(6) 0.084(3) Uani 1 1 d . . .
C51 C 0.9097(16) 0.016(3) 0.5356(12) 0.135(4) Uiso 0.50 1 d PD . .
C51' C 0.9299(15) -0.011(2) 0.5597(14) 0.135(4) Uiso 0.50 1 d PD . .
C52 C 0.8841(14) 0.048(3) 0.4786(13) 0.135(4) Uiso 0.50 1 d PD . .
C52' C 0.9032(15) -0.021(3) 0.5021(15) 0.135(4) Uiso 0.50 1 d PD . .
C53 C 0.9054(15) 0.081(3) 0.7906(10) 0.135(4) Uiso 0.50 1 d PD . .
C53' C 0.8906(14) 0.127(3) 0.7995(16) 0.135(4) Uiso 0.50 1 d PD . .
C54 C 0.9440(15) 0.106(3) 0.8401(15) 0.135(4) Uiso 0.50 1 d PD . .
C54' C 0.9403(15) 0.173(3) 0.8307(16) 0.135(4) Uiso 0.50 1 d PD . .
C55 C 0.9567(19) 0.564(4) 0.1287(15) 0.141(9) Uiso 0.50 1 d PD . .
C55' C 0.965(2) 0.601(3) 0.1182(17) 0.141(9) Uiso 0.50 1 d PD . .
C56 C 0.5078(11) 0.369(2) 0.7349(12) 0.064(7) Uiso 0.316(10) 1 d PD . 1
O2 O 0.5527(7) 0.3083(17) 0.7132(8) 0.048(4) Uiso 0.316(10) 1 d PD . 1
C56' C 0.5172(16) 0.252(5) 0.735(2) 0.064(7) Uiso 0.184(10) 1 d PD . 2
O2' O 0.5630(11) 0.258(3) 0.7044(12) 0.048(4) Uiso 0.184(10) 1 d PD . 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'
Cl Cl 0.1484 0.1585 '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'
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'
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
_geom_angle_publ_flag
N3 Zn1 N1 124.2(3) . . ?
N3 Zn1 Cl1 115.26(19) . . ?
N1 Zn1 Cl1 120.44(18) . . ?
N3 Zn1 N2 97.2(2) . . ?
N1 Zn1 N2 81.9(2) . . ?
Cl1 Zn1 N2 95.14(17) . . ?
N3 Zn1 N4 80.6(2) . . ?
N1 Zn1 N4 91.4(2) . . ?
Cl1 Zn1 N4 94.38(15) . . ?
N2 Zn1 N4 170.2(2) . . ?
N5 Zn2 N6 85.3(2) . . ?
N5 Zn2 Cl2 112.94(19) . . ?
N6 Zn2 Cl2 109.8(2) . . ?
N5 Zn2 Cl3 109.56(19) . . ?
N6 Zn2 Cl3 112.7(2) . . ?
Cl2 Zn2 Cl3 120.96(13) . . ?
O1 Zn3 Cl6' 91.9(6) . . ?
O1 Zn3 Cl5 112.4(5) . . ?
Cl6' Zn3 Cl5 126.2(5) . . ?
O1 Zn3 Cl4' 111.1(5) . . ?
Cl6' Zn3 Cl4' 126.4(6) . . ?
Cl5 Zn3 Cl4' 89.6(4) . . ?
O1 Zn3 Cl6 103.6(5) . . ?
Cl6' Zn3 Cl6 12.3(5) . . ?
Cl5 Zn3 Cl6 122.7(4) . . ?
Cl4' Zn3 Cl6 117.3(5) . . ?
O1 Zn3 Cl5' 90.4(5) . . ?
Cl6' Zn3 Cl5' 117.1(6) . . ?
Cl5 Zn3 Cl5' 25.7(3) . . ?
Cl4' Zn3 Cl5' 110.6(5) . . ?
Cl6 Zn3 Cl5' 119.8(4) . . ?
O1 Zn3 Cl4 97.4(5) . . ?
Cl6' Zn3 Cl4 109.6(5) . . ?
Cl5 Zn3 Cl4 113.5(3) . . ?
Cl4' Zn3 Cl4 24.1(3) . . ?
Cl6 Zn3 Cl4 103.9(4) . . ?
Cl5' Zn3 Cl4 132.3(4) . . ?
C12 S1 C13 96.4(4) . . ?
C12 S2 C14 96.9(4) . . ?
C13 S3 C15 103.5(5) . . ?
C14 S4 C17 103.3(4) . . ?
C30 S5 C31 95.9(4) . . ?
C30 S6 C32 96.6(4) . . ?
C31 S7 C33' 117.5(10) . . ?
C31 S7 C33 101.2(11) . . ?
C33' S7 C33 41.2(17) . . ?
C32 S8 C35 101.1(9) . . ?
C32 S8 C35' 102.1(9) . . ?
C35 S8 C35' 9.5(16) . . ?
C48 S9 C49 96.9(6) . . ?
C48 S10 C50 96.3(6) . . ?
C49 S11 C51' 105.5(14) . . ?
C49 S11 C51 104.1(14) . . ?
C51' S11 C51 25.5(14) . . ?
C50 S12 C53 102.7(13) . . ?
C50 S12 C53' 103.6(12) . . ?
C53 S12 C53' 21.1(15) . . ?
C55' O1 C55 21(3) . . ?
C55' O1 Zn3 142(2) . . ?
C55 O1 Zn3 120.5(19) . . ?
C1 N1 C5 115.9(7) . . ?
C1 N1 Zn1 135.5(5) . . ?
C5 N1 Zn1 108.2(5) . . ?
C10 N2 C6 115.2(6) . . ?
C10 N2 Zn1 102.4(5) . . ?
C6 N2 Zn1 141.8(5) . . ?
C19 N3 C23 116.0(7) . . ?
C19 N3 Zn1 133.3(5) . . ?
C23 N3 Zn1 110.6(5) . . ?
C28 N4 C24 115.9(6) . . ?
C28 N4 Zn1 100.1(5) . . ?
C24 N4 Zn1 143.4(5) . . ?
C41 N5 C37 116.2(7) . . ?
C41 N5 Zn2 104.9(5) . . ?
C37 N5 Zn2 138.9(6) . . ?
C46 N6 C42 114.7(7) . . ?
C46 N6 Zn2 104.7(5) . . ?
C42 N6 Zn2 140.6(6) . . ?
N1 C1 C2 121.7(7) . . ?
N1 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C3 C2 C1 122.9(8) . . ?
C3 C2 H2 118.5 . . ?
C1 C2 H2 118.5 . . ?
C2 C3 C4 116.8(7) . . ?
C2 C3 H3 121.6 . . ?
C4 C3 H3 121.6 . . ?
C5 C4 C3 116.2(6) . . ?
C5 C4 C11 106.9(7) . . ?
C3 C4 C11 136.9(7) . . ?
N1 C5 C10 123.7(7) . . ?
N1 C5 C4 126.5(7) . . ?
C10 C5 C4 109.8(6) . . ?
N2 C6 C7 121.5(8) . . ?
N2 C6 H6 119.2 . . ?
C7 C6 H6 119.2 . . ?
C6 C7 C8 122.8(8) . . ?
C6 C7 H7 118.6 . . ?
C8 C7 H7 118.6 . . ?
C7 C8 C9 116.6(7) . . ?
C7 C8 H8 121.7 . . ?
C9 C8 H8 121.7 . . ?
C8 C9 C10 116.7(7) . . ?
C8 C9 C11 136.4(7) . . ?
C10 C9 C11 106.9(6) . . ?
N2 C10 C5 123.0(6) . . ?
N2 C10 C9 127.1(7) . . ?
C5 C10 C9 109.9(7) . . ?
C12 C11 C4 126.9(7) . . ?
C12 C11 C9 126.6(7) . . ?
C4 C11 C9 106.4(6) . . ?
C11 C12 S2 122.9(6) . . ?
C11 C12 S1 123.7(6) . . ?
S2 C12 S1 113.5(4) . . ?
C14 C13 S3 125.7(6) . . ?
C14 C13 S1 116.5(6) . . ?
S3 C13 S1 117.3(6) . . ?
C13 C14 S4 124.0(7) . . ?
C13 C14 S2 116.7(6) . . ?
S4 C14 S2 119.2(5) . . ?
C16 C15 S3 108.9(9) . . ?
C16 C15 H15A 109.9 . . ?
S3 C15 H15A 109.9 . . ?
C16 C15 H15B 109.9 . . ?
S3 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 S4 106.9(9) . . ?
C18 C17 H17A 110.3 . . ?
S4 C17 H17A 110.3 . . ?
C18 C17 H17B 110.3 . . ?
S4 C17 H17B 110.4 . . ?
H17A C17 H17B 108.6 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N3 C19 C20 122.4(8) . . ?
N3 C19 H19 118.8 . . ?
C20 C19 H19 118.8 . . ?
C19 C20 C21 120.4(9) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
C22 C21 C20 118.2(8) . . ?
C22 C21 H21 120.9 . . ?
C20 C21 H21 120.9 . . ?
C21 C22 C23 117.1(7) . . ?
C21 C22 C29 136.2(8) . . ?
C23 C22 C29 106.7(7) . . ?
N3 C23 C22 125.8(7) . . ?
N3 C23 C28 123.6(7) . . ?
C22 C23 C28 110.6(6) . . ?
N4 C24 C25 122.4(8) . . ?
N4 C24 H24 118.8 . . ?
C25 C24 H24 118.8 . . ?
C24 C25 C26 121.0(8) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
C27 C26 C25 117.3(7) . . ?
C27 C26 H26 121.3 . . ?
C25 C26 H26 121.3 . . ?
C26 C27 C28 115.4(7) . . ?
C26 C27 C29 136.5(7) . . ?
C28 C27 C29 108.1(6) . . ?
N4 C28 C27 128.0(7) . . ?
N4 C28 C23 123.9(6) . . ?
C27 C28 C23 108.0(6) . . ?
C30 C29 C27 126.1(7) . . ?
C30 C29 C22 127.3(8) . . ?
C27 C29 C22 106.5(6) . . ?
C29 C30 S6 123.8(7) . . ?
C29 C30 S5 122.1(6) . . ?
S6 C30 S5 114.1(4) . . ?
C32 C31 S7 123.7(6) . . ?
C32 C31 S5 116.5(6) . . ?
S7 C31 S5 119.6(5) . . ?
C31 C32 S8 123.9(6) . . ?
C31 C32 S6 116.7(6) . . ?
S8 C32 S6 118.9(6) . . ?
C34 C33 S7 108(2) . . ?
C34' C33' S7 79.0(17) . . ?
C36 C35 S8 114.1(16) . . ?
C36' C35' S8 108.4(15) . . ?
N5 C37 C38 121.0(8) . . ?
N5 C37 H37 119.5 . . ?
C38 C37 H37 119.5 . . ?
C39 C38 C37 122.1(7) . . ?
C39 C38 H38 118.9 . . ?
C37 C38 H38 118.9 . . ?
C38 C39 C40 118.1(7) . . ?
C38 C39 H39 121.0 . . ?
C40 C39 H39 121.0 . . ?
C41 C40 C39 115.0(7) . . ?
C41 C40 C47 106.4(7) . . ?
C39 C40 C47 138.5(8) . . ?
N5 C41 C40 127.5(7) . . ?
N5 C41 C46 123.4(7) . . ?
C40 C41 C46 109.1(7) . . ?
N6 C42 C43 122.3(8) . . ?
N6 C42 H42 118.8 . . ?
C43 C42 H42 118.8 . . ?
C42 C43 C44 121.2(8) . . ?
C42 C43 H43 119.4 . . ?
C44 C43 H43 119.4 . . ?
C45 C44 C43 118.5(8) . . ?
C45 C44 H44 120.8 . . ?
C43 C44 H44 120.8 . . ?
C44 C45 C46 114.9(8) . . ?
C44 C45 C47 138.1(8) . . ?
C46 C45 C47 106.8(7) . . ?
N6 C46 C45 128.3(7) . . ?
N6 C46 C41 121.7(7) . . ?
C45 C46 C41 110.0(7) . . ?
C48 C47 C45 127.9(8) . . ?
C48 C47 C40 124.3(8) . . ?
C45 C47 C40 107.6(7) . . ?
C47 C48 S9 124.5(7) . . ?
C47 C48 S10 122.2(7) . . ?
S9 C48 S10 113.2(5) . . ?
C50 C49 S11 124.5(10) . . ?
C50 C49 S9 116.6(9) . . ?
S11 C49 S9 118.8(9) . . ?
C49 C50 S12 123.1(10) . . ?
C49 C50 S10 116.5(9) . . ?
S12 C50 S10 119.5(8) . . ?
C52 C51 S11 120(2) . . ?
C52' C51' S11 110(2) . . ?
C54 C53 S12 120(2) . . ?
C54' C53' S12 98(3) . . ?
C56 C56 O2 137(4) 2_656 . ?
C56' C56' O2' 174(7) 2_656 . ?
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
Zn1 N3 2.046(7) . ?
Zn1 N1 2.072(6) . ?
Zn1 Cl1 2.226(2) . ?
Zn1 N2 2.291(6) . ?
Zn1 N4 2.435(6) . ?
Zn2 N5 2.108(6) . ?
Zn2 N6 2.118(7) . ?
Zn2 Cl2 2.196(3) . ?
Zn2 Cl3 2.196(3) . ?
Zn3 O1 1.991(15) . ?
Zn3 Cl6' 2.158(17) . ?
Zn3 Cl5 2.151(8) . ?
Zn3 Cl4' 2.215(13) . ?
Zn3 Cl6 2.218(11) . ?
Zn3 Cl5' 2.304(14) . ?
Zn3 Cl4 2.336(9) . ?
S1 C12 1.740(8) . ?
S1 C13 1.766(8) . ?
S2 C12 1.740(8) . ?
S2 C14 1.751(9) . ?
S3 C13 1.761(9) . ?
S3 C15 1.810(12) . ?
S4 C14 1.747(8) . ?
S4 C17 1.851(13) . ?
S5 C30 1.742(9) . ?
S5 C31 1.761(8) . ?
S6 C30 1.725(8) . ?
S6 C32 1.750(8) . ?
S7 C31 1.743(8) . ?
S7 C33' 1.801(17) . ?
S7 C33 1.817(19) . ?
S8 C32 1.745(8) . ?
S8 C35 1.846(16) . ?
S8 C35' 1.847(16) . ?
S9 C48 1.724(10) . ?
S9 C49 1.754(13) . ?
S10 C48 1.746(10) . ?
S10 C50 1.758(12) . ?
S11 C49 1.751(13) . ?
S11 C51' 1.814(18) . ?
S11 C51 1.840(18) . ?
S12 C50 1.733(12) . ?
S12 C53 1.838(18) . ?
S12 C53' 1.91(4) . ?
O1 C55' 1.459(18) . ?
O1 C55 1.477(18) . ?
N1 C1 1.331(10) . ?
N1 C5 1.343(8) . ?
N2 C10 1.330(9) . ?
N2 C6 1.365(10) . ?
N3 C19 1.346(11) . ?
N3 C23 1.349(9) . ?
N4 C28 1.307(9) . ?
N4 C24 1.339(10) . ?
N5 C41 1.325(10) . ?
N5 C37 1.339(9) . ?
N6 C46 1.345(10) . ?
N6 C42 1.358(10) . ?
C1 C2 1.386(12) . ?
C1 H1 0.9400 . ?
C2 C3 1.373(11) . ?
C2 H2 0.9400 . ?
C3 C4 1.408(11) . ?
C3 H3 0.9400 . ?
C4 C5 1.407(10) . ?
C4 C11 1.465(10) . ?
C5 C10 1.396(10) . ?
C6 C7 1.370(11) . ?
C6 H6 0.9400 . ?
C7 C8 1.390(12) . ?
C7 H7 0.9400 . ?
C8 C9 1.395(11) . ?
C8 H8 0.9400 . ?
C9 C10 1.403(9) . ?
C9 C11 1.471(11) . ?
C11 C12 1.380(10) . ?
C13 C14 1.335(13) . ?
C15 C16 1.482(16) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 H16C 0.9700 . ?
C17 C18 1.519(14) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 C20 1.397(13) . ?
C19 H19 0.9400 . ?
C20 C21 1.401(12) . ?
C20 H20 0.9400 . ?
C21 C22 1.383(12) . ?
C21 H21 0.9400 . ?
C22 C23 1.404(11) . ?
C22 C29 1.486(10) . ?
C23 C28 1.436(10) . ?
C24 C25 1.387(11) . ?
C24 H24 0.9400 . ?
C25 C26 1.408(12) . ?
C25 H25 0.9400 . ?
C26 C27 1.398(11) . ?
C26 H26 0.9400 . ?
C27 C28 1.417(9) . ?
C27 C29 1.470(11) . ?
C29 C30 1.383(10) . ?
C31 C32 1.336(12) . ?
C33 C34 1.50(2) . ?
C33' C34' 1.480(19) . ?
C35 C36 1.501(17) . ?
C35' C36' 1.484(17) . ?
C37 C38 1.397(12) . ?
C37 H37 0.9400 . ?
C38 C39 1.366(12) . ?
C38 H38 0.9400 . ?
C39 C40 1.408(11) . ?
C39 H39 0.9400 . ?
C40 C41 1.401(11) . ?
C40 C47 1.471(12) . ?
C41 C46 1.428(10) . ?
C42 C43 1.379(13) . ?
C42 H42 0.9400 . ?
C43 C44 1.395(13) . ?
C43 H43 0.9400 . ?
C44 C45 1.405(11) . ?
C44 H44 0.9400 . ?
C45 C46 1.392(11) . ?
C45 C47 1.456(11) . ?
C47 C48 1.380(12) . ?
C49 C50 1.324(18) . ?
C51 C52 1.512(19) . ?
C51' C52' 1.497(19) . ?
C53 C54 1.513(19) . ?
C53' C54' 1.520(19) . ?
C56 C56 0.85(5) 2_656 ?
C56 O2 1.473(18) . ?
C56' C56' 1.17(6) 2_656 ?
C56' O2' 1.440(19) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Cl6' Zn3 O1 C55' 24(4) . . . . ?
Cl5 Zn3 O1 C55' -107(4) . . . . ?
Cl4' Zn3 O1 C55' 155(4) . . . . ?
Cl6 Zn3 O1 C55' 28(4) . . . . ?
Cl5' Zn3 O1 C55' -93(4) . . . . ?
Cl4 Zn3 O1 C55' 134(4) . . . . ?
Cl6' Zn3 O1 C55 25(3) . . . . ?
Cl5 Zn3 O1 C55 -106(3) . . . . ?
Cl4' Zn3 O1 C55 155(3) . . . . ?
Cl6 Zn3 O1 C55 29(3) . . . . ?
Cl5' Zn3 O1 C55 -92(3) . . . . ?
Cl4 Zn3 O1 C55 135(3) . . . . ?
N3 Zn1 N1 C1 -87.6(8) . . . . ?
Cl1 Zn1 N1 C1 87.9(8) . . . . ?
N2 Zn1 N1 C1 179.1(8) . . . . ?
N4 Zn1 N1 C1 -8.1(8) . . . . ?
N3 Zn1 N1 C5 99.8(5) . . . . ?
Cl1 Zn1 N1 C5 -84.7(5) . . . . ?
N2 Zn1 N1 C5 6.6(5) . . . . ?
N4 Zn1 N1 C5 179.4(5) . . . . ?
N3 Zn1 N2 C10 -131.0(5) . . . . ?
N1 Zn1 N2 C10 -7.3(5) . . . . ?
Cl1 Zn1 N2 C10 112.7(4) . . . . ?
N4 Zn1 N2 C10 -54.7(15) . . . . ?
N3 Zn1 N2 C6 59.1(9) . . . . ?
N1 Zn1 N2 C6 -177.3(9) . . . . ?
Cl1 Zn1 N2 C6 -57.2(9) . . . . ?
N4 Zn1 N2 C6 135.4(13) . . . . ?
N1 Zn1 N3 C19 -91.9(9) . . . . ?
Cl1 Zn1 N3 C19 92.4(8) . . . . ?
N2 Zn1 N3 C19 -6.8(9) . . . . ?
N4 Zn1 N3 C19 -177.2(9) . . . . ?
N1 Zn1 N3 C23 93.7(5) . . . . ?
Cl1 Zn1 N3 C23 -82.0(5) . . . . ?
N2 Zn1 N3 C23 178.8(5) . . . . ?
N4 Zn1 N3 C23 8.4(5) . . . . ?
N3 Zn1 N4 C28 -9.1(4) . . . . ?
N1 Zn1 N4 C28 -133.5(5) . . . . ?
Cl1 Zn1 N4 C28 105.9(4) . . . . ?
N2 Zn1 N4 C28 -86.7(14) . . . . ?
N3 Zn1 N4 C24 -178.4(9) . . . . ?
N1 Zn1 N4 C24 57.2(9) . . . . ?
Cl1 Zn1 N4 C24 -63.5(8) . . . . ?
N2 Zn1 N4 C24 103.9(15) . . . . ?
N6 Zn2 N5 C41 -0.4(5) . . . . ?
Cl2 Zn2 N5 C41 109.1(5) . . . . ?
Cl3 Zn2 N5 C41 -112.9(5) . . . . ?
N6 Zn2 N5 C37 178.8(8) . . . . ?
Cl2 Zn2 N5 C37 -71.7(8) . . . . ?
Cl3 Zn2 N5 C37 66.3(8) . . . . ?
N5 Zn2 N6 C46 0.8(5) . . . . ?
Cl2 Zn2 N6 C46 -111.9(5) . . . . ?
Cl3 Zn2 N6 C46 110.0(5) . . . . ?
N5 Zn2 N6 C42 178.9(9) . . . . ?
Cl2 Zn2 N6 C42 66.2(9) . . . . ?
Cl3 Zn2 N6 C42 -71.8(9) . . . . ?
C5 N1 C1 C2 -0.2(12) . . . . ?
Zn1 N1 C1 C2 -172.3(6) . . . . ?
N1 C1 C2 C3 1.2(14) . . . . ?
C1 C2 C3 C4 -0.9(13) . . . . ?
C2 C3 C4 C5 -0.3(11) . . . . ?
C2 C3 C4 C11 179.9(9) . . . . ?
C1 N1 C5 C10 -179.4(7) . . . . ?
Zn1 N1 C5 C10 -5.2(8) . . . . ?
C1 N1 C5 C4 -1.1(11) . . . . ?
Zn1 N1 C5 C4 173.0(6) . . . . ?
C3 C4 C5 N1 1.4(11) . . . . ?
C11 C4 C5 N1 -178.8(7) . . . . ?
C3 C4 C5 C10 179.9(7) . . . . ?
C11 C4 C5 C10 -0.3(8) . . . . ?
C10 N2 C6 C7 0.9(11) . . . . ?
Zn1 N2 C6 C7 170.0(6) . . . . ?
N2 C6 C7 C8 -0.6(13) . . . . ?
C6 C7 C8 C9 -0.3(12) . . . . ?
C7 C8 C9 C10 0.9(11) . . . . ?
C7 C8 C9 C11 178.4(8) . . . . ?
C6 N2 C10 C5 -179.6(7) . . . . ?
Zn1 N2 C10 C5 7.3(8) . . . . ?
C6 N2 C10 C9 -0.2(11) . . . . ?
Zn1 N2 C10 C9 -173.4(6) . . . . ?
N1 C5 C10 N2 -2.2(11) . . . . ?
C4 C5 C10 N2 179.3(7) . . . . ?
N1 C5 C10 C9 178.4(7) . . . . ?
C4 C5 C10 C9 -0.2(9) . . . . ?
C8 C9 C10 N2 -0.7(11) . . . . ?
C11 C9 C10 N2 -178.9(7) . . . . ?
C8 C9 C10 C5 178.8(7) . . . . ?
C11 C9 C10 C5 0.6(8) . . . . ?
C5 C4 C11 C12 -179.6(7) . . . . ?
C3 C4 C11 C12 0.2(14) . . . . ?
C5 C4 C11 C9 0.6(8) . . . . ?
C3 C4 C11 C9 -179.6(9) . . . . ?
C8 C9 C11 C12 1.8(14) . . . . ?
C10 C9 C11 C12 179.5(7) . . . . ?
C8 C9 C11 C4 -178.4(8) . . . . ?
C10 C9 C11 C4 -0.7(8) . . . . ?
C4 C11 C12 S2 -179.9(6) . . . . ?
C9 C11 C12 S2 -0.1(11) . . . . ?
C4 C11 C12 S1 1.6(11) . . . . ?
C9 C11 C12 S1 -178.6(6) . . . . ?
C14 S2 C12 C11 179.8(7) . . . . ?
C14 S2 C12 S1 -1.5(5) . . . . ?
C13 S1 C12 C11 -179.8(7) . . . . ?
C13 S1 C12 S2 1.6(5) . . . . ?
C15 S3 C13 C14 122.3(9) . . . . ?
C15 S3 C13 S1 -66.5(7) . . . . ?
C12 S1 C13 C14 -1.0(7) . . . . ?
C12 S1 C13 S3 -173.1(5) . . . . ?
S3 C13 C14 S4 -4.7(11) . . . . ?
S1 C13 C14 S4 -176.0(4) . . . . ?
S3 C13 C14 S2 171.4(5) . . . . ?
S1 C13 C14 S2 0.1(9) . . . . ?
C17 S4 C14 C13 -160.3(8) . . . . ?
C17 S4 C14 S2 23.7(7) . . . . ?
C12 S2 C14 C13 0.9(7) . . . . ?
C12 S2 C14 S4 177.2(5) . . . . ?
C13 S3 C15 C16 178.8(10) . . . . ?
C14 S4 C17 C18 175.5(10) . . . . ?
C23 N3 C19 C20 3.6(14) . . . . ?
Zn1 N3 C19 C20 -170.5(8) . . . . ?
N3 C19 C20 C21 -2.2(17) . . . . ?
C19 C20 C21 C22 1.3(16) . . . . ?
C20 C21 C22 C23 -2.0(13) . . . . ?
C20 C21 C22 C29 179.5(9) . . . . ?
C19 N3 C23 C22 -4.5(12) . . . . ?
Zn1 N3 C23 C22 170.9(7) . . . . ?
C19 N3 C23 C28 177.2(8) . . . . ?
Zn1 N3 C23 C28 -7.4(9) . . . . ?
C21 C22 C23 N3 3.8(13) . . . . ?
C29 C22 C23 N3 -177.3(7) . . . . ?
C21 C22 C23 C28 -177.7(7) . . . . ?
C29 C22 C23 C28 1.2(9) . . . . ?
C28 N4 C24 C25 -1.4(11) . . . . ?
Zn1 N4 C24 C25 166.9(6) . . . . ?
N4 C24 C25 C26 0.8(12) . . . . ?
C24 C25 C26 C27 0.3(12) . . . . ?
C25 C26 C27 C28 -0.5(11) . . . . ?
C25 C26 C27 C29 179.3(8) . . . . ?
C24 N4 C28 C27 1.2(11) . . . . ?
Zn1 N4 C28 C27 -171.8(6) . . . . ?
C24 N4 C28 C23 -178.5(7) . . . . ?
Zn1 N4 C28 C23 8.5(8) . . . . ?
C26 C27 C28 N4 -0.3(11) . . . . ?
C29 C27 C28 N4 179.9(7) . . . . ?
C26 C27 C28 C23 179.5(7) . . . . ?
C29 C27 C28 C23 -0.4(8) . . . . ?
N3 C23 C28 N4 -2.2(12) . . . . ?
C22 C23 C28 N4 179.2(7) . . . . ?
N3 C23 C28 C27 178.0(7) . . . . ?
C22 C23 C28 C27 -0.5(9) . . . . ?
C26 C27 C29 C30 4.5(15) . . . . ?
C28 C27 C29 C30 -175.7(7) . . . . ?
C26 C27 C29 C22 -178.8(9) . . . . ?
C28 C27 C29 C22 1.1(8) . . . . ?
C21 C22 C29 C30 -6.1(16) . . . . ?
C23 C22 C29 C30 175.3(8) . . . . ?
C21 C22 C29 C27 177.2(10) . . . . ?
C23 C22 C29 C27 -1.4(8) . . . . ?
C27 C29 C30 S6 -3.1(12) . . . . ?
C22 C29 C30 S6 -179.2(6) . . . . ?
C27 C29 C30 S5 178.1(6) . . . . ?
C22 C29 C30 S5 2.0(12) . . . . ?
C32 S6 C30 C29 177.6(7) . . . . ?
C32 S6 C30 S5 -3.6(5) . . . . ?
C31 S5 C30 C29 -177.4(7) . . . . ?
C31 S5 C30 S6 3.7(5) . . . . ?
C33' S7 C31 C32 133.2(12) . . . . ?
C33 S7 C31 C32 173.6(15) . . . . ?
C33' S7 C31 S5 -51.5(11) . . . . ?
C33 S7 C31 S5 -11.1(15) . . . . ?
C30 S5 C31 C32 -2.4(7) . . . . ?
C30 S5 C31 S7 -178.1(5) . . . . ?
S7 C31 C32 S8 4.4(11) . . . . ?
S5 C31 C32 S8 -171.1(4) . . . . ?
S7 C31 C32 S6 175.7(4) . . . . ?
S5 C31 C32 S6 0.2(9) . . . . ?
C35 S8 C32 C31 -126.2(12) . . . . ?
C35' S8 C32 C31 -135.8(11) . . . . ?
C35 S8 C32 S6 62.7(10) . . . . ?
C35' S8 C32 S6 53.1(10) . . . . ?
C30 S6 C32 C31 2.0(7) . . . . ?
C30 S6 C32 S8 173.8(5) . . . . ?
C31 S7 C33 C34 -180(2) . . . . ?
C33' S7 C33 C34 -61(2) . . . . ?
C31 S7 C33' C34' 78(2) . . . . ?
C33 S7 C33' C34' 3(3) . . . . ?
C32 S8 C35 C36 -154.4(19) . . . . ?
C35' S8 C35 C36 -57(9) . . . . ?
C32 S8 C35' C36' -143.0(18) . . . . ?
C35 S8 C35' C36' 132(11) . . . . ?
C41 N5 C37 C38 2.1(11) . . . . ?
Zn2 N5 C37 C38 -177.0(6) . . . . ?
N5 C37 C38 C39 -2.1(12) . . . . ?
C37 C38 C39 C40 0.3(12) . . . . ?
C38 C39 C40 C41 1.2(10) . . . . ?
C38 C39 C40 C47 -178.2(8) . . . . ?
C37 N5 C41 C40 -0.6(11) . . . . ?
Zn2 N5 C41 C40 178.8(6) . . . . ?
C37 N5 C41 C46 -179.5(7) . . . . ?
Zn2 N5 C41 C46 -0.1(8) . . . . ?
C39 C40 C41 N5 -1.1(11) . . . . ?
C47 C40 C41 N5 178.5(7) . . . . ?
C39 C40 C41 C46 177.9(6) . . . . ?
C47 C40 C41 C46 -2.5(8) . . . . ?
C46 N6 C42 C43 -2.0(12) . . . . ?
Zn2 N6 C42 C43 180.0(6) . . . . ?
N6 C42 C43 C44 1.8(13) . . . . ?
C42 C43 C44 C45 0.9(12) . . . . ?
C43 C44 C45 C46 -2.9(10) . . . . ?
C43 C44 C45 C47 -177.9(8) . . . . ?
C42 N6 C46 C45 -0.5(12) . . . . ?
Zn2 N6 C46 C45 178.2(7) . . . . ?
C42 N6 C46 C41 -179.8(7) . . . . ?
Zn2 N6 C46 C41 -1.1(8) . . . . ?
C44 C45 C46 N6 2.9(12) . . . . ?
C47 C45 C46 N6 179.4(7) . . . . ?
C44 C45 C46 C41 -177.7(6) . . . . ?
C47 C45 C46 C41 -1.2(8) . . . . ?
N5 C41 C46 N6 0.9(12) . . . . ?
C40 C41 C46 N6 -178.2(7) . . . . ?
N5 C41 C46 C45 -178.5(7) . . . . ?
C40 C41 C46 C45 2.4(9) . . . . ?
C44 C45 C47 C48 -9.0(15) . . . . ?
C46 C45 C47 C48 175.8(8) . . . . ?
C44 C45 C47 C40 174.9(9) . . . . ?
C46 C45 C47 C40 -0.3(8) . . . . ?
C41 C40 C47 C48 -174.6(7) . . . . ?
C39 C40 C47 C48 4.9(14) . . . . ?
C41 C40 C47 C45 1.8(8) . . . . ?
C39 C40 C47 C45 -178.8(8) . . . . ?
C45 C47 C48 S9 179.0(6) . . . . ?
C40 C47 C48 S9 -5.4(12) . . . . ?
C45 C47 C48 S10 -3.3(12) . . . . ?
C40 C47 C48 S10 172.2(6) . . . . ?
C49 S9 C48 C47 -178.0(8) . . . . ?
C49 S9 C48 S10 4.1(6) . . . . ?
C50 S10 C48 C47 176.2(8) . . . . ?
C50 S10 C48 S9 -5.9(6) . . . . ?
C51' S11 C49 C50 120.8(16) . . . . ?
C51 S11 C49 C50 147.1(16) . . . . ?
C51' S11 C49 S9 -62.8(14) . . . . ?
C51 S11 C49 S9 -36.5(14) . . . . ?
C48 S9 C49 C50 0.1(11) . . . . ?
C48 S9 C49 S11 -176.6(7) . . . . ?
S11 C49 C50 S12 2.5(18) . . . . ?
S9 C49 C50 S12 -173.9(7) . . . . ?
S11 C49 C50 S10 172.1(7) . . . . ?
S9 C49 C50 S10 -4.3(15) . . . . ?
C53 S12 C50 C49 -143.2(16) . . . . ?
C53' S12 C50 C49 -164.8(16) . . . . ?
C53 S12 C50 S10 47.5(14) . . . . ?
C53' S12 C50 S10 25.9(14) . . . . ?
C48 S10 C50 C49 6.2(11) . . . . ?
C48 S10 C50 S12 176.2(7) . . . . ?
C49 S11 C51 C52 95(3) . . . . ?
C51' S11 C51 C52 -168(7) . . . . ?
C49 S11 C51' C52' 92(3) . . . . ?
C51 S11 C51' C52' 2(4) . . . . ?
C50 S12 C53 C54 -179(3) . . . . ?
C53' S12 C53 C54 -84(5) . . . . ?
C50 S12 C53' C54' 175(2) . . . . ?
C53 S12 C53' C54' 85(5) . . . . ?
