#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:27:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180506 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/75/7217569.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_7217569
loop_
_publ_author_name
'Guo, Huadong'
'Guo, Xianmin'
'Zou, Hengye'
'Qi, Yanjuan'
'Chen, Ruizhan'
'Zhao, Lun'
'Liu, Chunming'
_publ_section_title
;
 A series of coordination polymers assembled from
 9,9-dimethylfluorene-2,7-dicarboxylic acid and various flexible
 bis(imidazole) ligands: synthesis, structures and properties
;
_journal_issue                   32
_journal_name_full               CrystEngComm
_journal_page_first              7459
_journal_paper_doi               10.1039/C4CE00664J
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C63 H75 N11 O12 Zn2'
_chemical_formula_sum            'C63 H75 N11 O12 Zn2'
_chemical_formula_weight         1309.08
_chemical_melting_point          ?
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.0828(8)
_cell_length_b                   23.9967(12)
_cell_length_c                   37.1516(19)
_cell_measurement_reflns_used    6482
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      1.61
_cell_volume                     12555.0(11)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9.00cm
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0757
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            34588
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.10
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    0.835
_exptl_absorpt_correction_T_max  0.816
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.385
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5488
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.963
_refine_diff_density_min         -0.739
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         6482
_refine_ls_number_restraints     1041
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1154
_refine_ls_R_factor_gt           0.0674
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0916P)²+57.4260P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1779
_refine_ls_wR_factor_ref         0.2070
_reflns_number_gt                3952
_reflns_number_total             6482
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             7216406
_cod_data_source_file            c4ce00664j2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      Cmca
_cod_database_code               7217569
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x, -y, -z'
'-x+1/2, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x, y, z'
'x-1/2, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'-x+1/2, y+1/2, 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
C1 C 0.0000 0.5237(3) 0.82428(18) 0.0390(13) Uani 1 2 d SU
H1 H 0.0000 0.5058 0.8021 0.047 Uiso 1 2 calc SR
C2 C 0.0000 0.5818(3) 0.82567(18) 0.0371(14) Uani 1 2 d SU
C3 C 0.0000 0.6077(3) 0.85965(19) 0.0465(15) Uani 1 2 d SU
H3 H 0.0000 0.6464 0.8608 0.056 Uiso 1 2 calc SR
C4 C 0.0000 0.5778(3) 0.8910(2) 0.0525(14) Uani 1 2 d SU
H4 H 0.0000 0.5957 0.9132 0.063 Uiso 1 2 calc SR
C5 C 0.0000 0.4836(6) 0.9546(4) 0.0539(17) Uani 0.60 2 d SPU
C6 C 0.0000 0.4338(6) 0.9746(4) 0.0552(19) Uani 0.60 2 d SPU
C7 C 0.0000 0.3810(3) 0.9593(2) 0.0542(15) Uani 1 2 d SU
C8 C 0.0000 0.3767(3) 0.92169(18) 0.0431(13) Uani 1 2 d SU
H8 H 0.0000 0.3418 0.9108 0.052 Uiso 1 2 calc SR
C9 C 0.0000 0.4292(3) 0.85994(18) 0.0409(13) Uani 1 2 d SU
C10 C 0.0000 0.4927(3) 0.85528(18) 0.0412(12) Uani 1 2 d SU
C11 C 0.0000 0.5196(3) 0.8888(2) 0.0508(13) Uani 1 2 d SU
C12 C 0.0000 0.4766(3) 0.9169(2) 0.0543(13) Uani 1 2 d SU
C13 C 0.0000 0.4242(3) 0.9007(2) 0.0474(13) Uani 1 2 d SU
C14 C -0.0894(4) 0.4025(2) 0.84373(13) 0.0447(12) Uani 1 1 d U
H14A H -0.0878 0.4061 0.8180 0.067 Uiso 1 1 calc R
H14B H -0.1448 0.4209 0.8530 0.067 Uiso 1 1 calc R
H14C H -0.0915 0.3637 0.8501 0.067 Uiso 1 1 calc R
C15 C 0.0000 0.6159(3) 0.79183(18) 0.0347(14) Uani 1 2 d SU
C16 C 0.0000 0.3307(3) 0.9834(2) 0.0484(16) Uani 1 2 d SU
C17 C 0.0000 0.8287(3) 0.76007(19) 0.0375(15) Uani 1 2 d SU
C18 C 0.0000 0.8802(3) 0.78216(18) 0.0368(15) Uani 1 2 d SU
C19 C 0.0000 0.9324(3) 0.76653(19) 0.0412(16) Uani 1 2 d SU
H20 H 0.0000 0.9349 0.7416 0.049 Uiso 1 2 calc SR
C20 C 0.0000 0.9808(3) 0.78632(18) 0.0413(16) Uani 1 2 d SU
H21 H 0.0000 1.0154 0.7750 0.050 Uiso 1 2 calc SR
C21 C 0.0000 -0.1233(3) 0.8191(2) 0.0467(15) Uani 1 2 d SU
H18 H 0.0000 -0.1581 0.8302 0.056 Uiso 1 2 calc SR
C22 C 0.0000 -0.0753(3) 0.8401(2) 0.0486(14) Uani 1 2 d SU
C23 C 0.0000 -0.0232(3) 0.82366(19) 0.0436(14) Uani 1 2 d SU
C24 C 0.0000 0.0203(3) 0.8516(2) 0.0431(13) Uani 1 2 d SU
C25 C 0.0000 0.0778(3) 0.8497(2) 0.0414(13) Uani 1 2 d SU
H22 H 0.0000 0.0958 0.8275 0.050 Uiso 1 2 calc SR
C26 C 0.0000 0.1081(3) 0.88143(18) 0.0370(13) Uani 1 2 d SU
H23 H 0.0000 0.1468 0.8804 0.044 Uiso 1 2 calc SR
C27 C 0.0000 0.0824(3) 0.91444(19) 0.0403(14) Uani 1 2 d SU
C28 C 0.0000 0.0243(3) 0.9162(2) 0.0489(13) Uani 1 2 d SU
H25 H 0.0000 0.0065 0.9384 0.059 Uiso 1 2 calc SR
C29 C 0.0000 -0.0065(3) 0.8853(2) 0.0496(13) Uani 1 2 d SU
C30 C -0.0290(6) -0.0695(4) 0.8806(3) 0.0411(17) Uiso 0.50 1 d PU
C31 C 0.0000 0.1158(3) 0.9486(2) 0.0403(15) Uani 1 2 d SU
C32 C -0.0416(8) -0.1035(5) 0.9020(3) 0.0519(18) Uiso 0.50 1 d PU
C32A C -0.1250(8) -0.0892(5) 0.8921(3) 0.0506(18) Uiso 0.50 1 d PU
C33 C 0.3292(4) 0.2568(2) 1.20886(12) 0.0420(11) Uani 1 1 d U
H35 H 0.3436 0.2191 1.2109 0.050 Uiso 1 1 calc R
C34 C 0.3348(4) 0.3458(2) 1.21372(13) 0.0430(12) Uani 1 1 d U
H36 H 0.3541 0.3816 1.2199 0.052 Uiso 1 1 calc R
C35 C 0.2571(4) 0.3331(2) 1.19420(14) 0.0441(12) Uani 1 1 d U
H37 H 0.2138 0.3582 1.1845 0.053 Uiso 1 1 calc R
C36 C 0.1847(4) 0.2447(3) 1.17047(13) 0.0503(12) Uani 1 1 d U
H38A H 0.1210 0.2546 1.1781 0.060 Uiso 1 1 calc R
H38B H 0.1937 0.2053 1.1751 0.060 Uiso 1 1 calc R
C37 C 0.1945(4) 0.2556(2) 1.13022(13) 0.0458(11) Uani 1 1 d U
H39A H 0.1468 0.2341 1.1175 0.055 Uiso 1 1 calc R
H39B H 0.1822 0.2947 1.1256 0.055 Uiso 1 1 calc R
C38 C 0.2906(4) 0.2410(2) 1.11543(13) 0.0462(11) Uani 1 1 d U
H40A H 0.3007 0.2013 1.1185 0.055 Uiso 1 1 calc R
H40B H 0.3384 0.2602 1.1295 0.055 Uiso 1 1 calc R
C39 C 0.3051(4) 0.2553(2) 1.07597(13) 0.0471(12) Uani 1 1 d U
H41A H 0.2947 0.2949 1.0725 0.056 Uiso 1 1 calc R
H41B H 0.3702 0.2472 1.0693 0.056 Uiso 1 1 calc R
C40 C 0.1619(4) 0.2435(2) 1.03664(12) 0.0362(10) Uani 1 1 d U
H42 H 0.1401 0.2800 1.0385 0.043 Uiso 1 1 calc R
C41 C 0.1749(4) 0.1568(2) 1.02183(14) 0.0416(12) Uani 1 1 d U
H44 H 0.1630 0.1222 1.0115 0.050 Uiso 1 1 calc R
C42 C 0.2493(4) 0.1693(2) 1.04290(14) 0.0445(12) Uani 1 1 d U
H43 H 0.2976 0.1451 1.0497 0.053 Uiso 1 1 calc R
C43 C 0.2678(11) 1.0111(5) 0.0547(4) 0.196(5) Uani 1 1 d U
H43A H 0.2591 1.0418 0.0709 0.294 Uiso 1 1 calc R
H43B H 0.2167 1.0103 0.0376 0.294 Uiso 1 1 calc R
H43C H 0.3270 1.0153 0.0421 0.294 Uiso 1 1 calc R
C44 C 0.2521(9) 0.9491(5) 0.1134(3) 0.141(4) Uani 1 1 d U
H44A H 0.2450 0.9844 0.1252 0.212 Uiso 1 1 calc R
H44B H 0.3049 0.9294 0.1237 0.212 Uiso 1 1 calc R
H44C H 0.1952 0.9276 0.1165 0.212 Uiso 1 1 calc R
C45 C 0.2809(10) 0.9171(5) 0.0550(4) 0.135(4) Uani 1 1 d U
H45 H 0.2719 0.9212 0.0304 0.162 Uiso 1 1 calc R
C46 C 0.7505(7) 0.9871(5) 0.7825(3) 0.151(4) Uani 1 1 d U
H46A H 0.7504 1.0262 0.7772 0.227 Uiso 1 1 calc R
H46B H 0.8064 0.9778 0.7960 0.227 Uiso 1 1 calc R
H46C H 0.6951 0.9778 0.7963 0.227 Uiso 1 1 calc R
C47 C 0.7500 0.9038(5) 0.7500 0.121(5) Uani 1 2 d SU
N1 N 0.3809(3) 0.29737(15) 1.22297(10) 0.0345(9) Uani 1 1 d .
N2 N 0.2541(3) 0.27691(18) 1.19144(11) 0.0409(11) Uani 1 1 d .
N3 N 0.2410(3) 0.22416(17) 1.05250(10) 0.0361(10) Uani 1 1 d .
N4 N 0.1189(3) 0.20374(16) 1.01803(9) 0.0333(9) Uani 1 1 d .
N5 N 0.2689(7) 0.9580(4) 0.0755(2) 0.120(3) Uani 1 1 d .
N6 N 0.7500 0.9566(3) 0.7500 0.084(3) Uani 1 2 d S
O1 O 0.0000 0.66836(18) 0.79644(11) 0.0339(11) Uani 1 2 d S
O2 O 0.0000 0.5926(2) 0.76254(13) 0.0501(14) Uani 1 2 d S
O3 O 0.0000 0.28444(18) 0.96594(12) 0.0389(11) Uani 1 2 d S
O4 O 0.0000 0.3352(2) 1.01629(14) 0.074(2) Uani 1 2 d S
O5 O 0.0000 0.78301(18) 0.77753(12) 0.0397(12) Uani 1 2 d S
O6 O 0.0000 0.8319(2) 0.72733(13) 0.0613(17) Uani 1 2 d S
O7 O 0.0000 0.16888(18) 0.94500(12) 0.0365(11) Uani 1 2 d S
O8 O 0.0000 0.0926(2) 0.97851(13) 0.0461(13) Uani 1 2 d S
O9 O 0.3050(9) 0.8706(4) 0.0674(3) 0.233(5) Uani 1 1 d .
O10 O 0.7468(10) 0.8682(5) 0.7696(5) 0.155(9) Uani 0.50 1 d P
OW1 O 0.8985(10) 0.0000 0.0000 0.185(5) Uiso 1 2 d S
Zn1 Zn 0.0000 0.71230(3) 0.751862(19) 0.0319(2) Uani 1 2 d S
Zn2 Zn 0.0000 0.21190(3) 0.989681(18) 0.0289(2) Uani 1 2 d S
C5A C 0.058(2) 0.4792(11) 0.9534(7) 0.0466(18) Uani 0.20 1 d PU
C6A C 0.056(2) 0.4341(11) 0.9755(8) 0.047(2) Uani 0.20 1 d PU
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'
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
C10 C1 C2 120.7(6) . .
C10 C1 H1 119.6 . .
C2 C1 H1 119.6 . .
C1 C2 C3 118.4(6) . .
C1 C2 C15 120.9(6) . .
C3 C2 C15 120.7(6) . .
C4 C3 C2 122.2(7) . .
C4 C3 H3 118.9 . .
C2 C3 H3 118.9 . .
C3 C4 C11 118.2(7) . .
C3 C4 H4 120.9 . .
C11 C4 H4 120.9 . .
C5A C5 C5A 164(5) . 11
C5A C5 C6 85(2) . .
C5A C5 C6 85(2) 11 .
C5A C5 C12 86(3) . .
C5A C5 C12 86(3) 11 .
C6 C5 C12 115.0(12) . .
C5A C5 C6A 57(3) . .
C5A C5 C6A 114(3) 11 .
C6 C5 C6A 28.9(11) . .
C12 C5 C6A 112.8(13) . .
C5A C5 C6A 114(3) . 11
C5A C5 C6A 57(3) 11 11
C6 C5 C6A 28.9(11) . 11
C12 C5 C6A 112.8(13) . 11
C6A C5 C6A 58(2) . 11
C6A C6 C6A 175(6) . 11
C6A C6 C7 91(3) . .
C6A C6 C7 91(3) 11 .
C6A C6 C5 91(3) . .
C6A C6 C5 91(3) 11 .
C7 C6 C5 123.8(13) . .
C6A C6 C5A 122(3) . 11
C6A C6 C5A 60(3) 11 11
C7 C6 C5A 115.2(13) . 11
C5 C6 C5A 31.5(11) . 11
C6A C6 C5A 60(3) . .
C6A C6 C5A 122(3) 11 .
C7 C6 C5A 115.2(13) . .
C5 C6 C5A 31.5(11) . .
C5A C6 C5A 63(2) 11 .
C6 C7 C8 118.4(9) . .
C6 C7 C16 119.1(9) . .
C8 C7 C16 122.5(7) . .
C6 C7 C6A 29.1(11) . .
C8 C7 C6A 115.5(12) . .
C16 C7 C6A 114.2(11) . .
C6 C7 C6A 29.1(11) . 11
C8 C7 C6A 115.5(11) . 11
C16 C7 C6A 114.2(11) . 11
C6A C7 C6A 58(2) . 11
C13 C8 C7 120.2(7) . .
C13 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
C13 C9 C10 101.0(5) . .
C13 C9 C14 111.0(4) . .
C10 C9 C14 111.7(4) . .
C13 C9 C14 111.0(4) . 11
C10 C9 C14 111.7(4) . 11
C14 C9 C14 110.1(6) . 11
C1 C10 C11 119.7(7) . .
C1 C10 C9 129.4(6) . .
C11 C10 C9 110.9(6) . .
C4 C11 C10 120.8(7) . .
C4 C11 C12 131.3(7) . .
C10 C11 C12 107.9(7) . .
C13 C12 C5 122.6(8) . .
C13 C12 C11 109.0(7) . .
C5 C12 C11 128.4(9) . .
C13 C12 C5A 114.0(11) . .
C5 C12 C5A 31.3(11) . .
C11 C12 C5A 125.4(11) . .
C13 C12 C5A 114.0(11) . 11
C5 C12 C5A 31.3(11) . 11
C11 C12 C5A 125.4(11) . 11
C5A C12 C5A 62(2) . 11
C8 C13 C12 119.9(7) . .
C8 C13 C9 128.9(7) . .
C12 C13 C9 111.2(6) . .
C9 C14 H14A 109.5 . .
C9 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C9 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
O2 C15 O1 124.9(6) . .
O2 C15 C2 119.8(6) . .
O1 C15 C2 115.3(6) . .
O4 C16 O3 125.3(7) . .
O4 C16 C7 121.6(7) . .
O3 C16 C7 113.0(6) . .
O6 C17 O5 124.3(6) . .
O6 C17 C18 119.9(6) . .
O5 C17 C18 115.8(6) . .
C21 C18 C19 118.4(6) 1_565 .
C21 C18 C17 120.0(6) 1_565 .
C19 C18 C17 121.6(6) . .
C20 C19 C18 122.8(7) . .
C20 C19 H20 118.6 . .
C18 C19 H20 118.6 . .
C19 C20 C23 118.4(6) . 1_565
C19 C20 H21 120.8 . .
C23 C20 H21 120.8 1_565 .
C18 C21 C22 120.5(7) 1_545 .
C18 C21 H18 119.7 1_545 .
C22 C21 H18 119.7 . .
C21 C22 C23 119.9(7) . .
C21 C22 C30 127.7(7) . .
C23 C22 C30 110.1(6) . .
C21 C22 C30 127.7(7) . 11
C23 C22 C30 110.1(6) . 11
C30 C22 C30 30.3(7) . 11
C20 C23 C22 120.0(7) 1_545 .
C20 C23 C24 130.9(7) 1_545 .
C22 C23 C24 109.0(6) . .
C25 C24 C29 120.2(7) . .
C25 C24 C23 132.1(7) . .
C29 C24 C23 107.7(6) . .
C24 C25 C26 118.6(7) . .
C24 C25 H22 120.7 . .
C26 C25 H22 120.7 . .
C27 C26 C25 121.6(6) . .
C27 C26 H23 119.2 . .
C25 C26 H23 119.2 . .
C26 C27 C28 119.4(6) . .
C26 C27 C31 121.0(6) . .
C28 C27 C31 119.7(6) . .
C29 C28 C27 120.1(7) . .
C29 C28 H25 119.9 . .
C27 C28 H25 119.9 . .
C28 C29 C24 120.0(7) . .
C28 C29 C30 127.7(7) . .
C24 C29 C30 110.0(7) . .
C28 C29 C30 127.7(7) . 11
C24 C29 C30 110.0(7) . 11
C30 C29 C30 30.1(7) . 11
C30 C30 C32 98.8(7) 11 .
C30 C30 C32A 154.8(6) 11 .
C32 C30 C32A 55.9(8) . .
C30 C30 C32 48.9(5) 11 11
C32 C30 C32 49.9(10) . 11
C32A C30 C32 105.9(8) . 11
C30 C30 C22 74.9(3) 11 .
C32 C30 C22 129.8(10) . .
C32A C30 C22 118.9(8) . .
C32 C30 C22 106.6(7) 11 .
C30 C30 C29 75.0(3) 11 .
C32 C30 C29 130.1(10) . .
C32A C30 C29 120.4(8) . .
C32 C30 C29 106.8(7) 11 .
C22 C30 C29 97.0(6) . .
O8 C31 O7 122.5(6) . .
O8 C31 C27 121.2(6) . .
O7 C31 C27 116.3(6) . .
C30 C32 C32 81.2(7) . 11
C30 C32 C32A 75.7(9) . .
C32 C32 C32A 156.8(7) 11 .
C30 C32 C30 32.3(8) . 11
C32 C32 C30 48.9(5) 11 11
C32A C32 C30 108.0(10) . 11
C32 C32A C30 48.4(7) . .
N1 C33 N2 111.3(5) . .
N1 C33 H35 124.3 . .
N2 C33 H35 124.3 . .
C35 C34 N1 109.1(5) . .
C35 C34 H36 125.5 . .
N1 C34 H36 125.5 . .
C34 C35 N2 106.9(5) . .
C34 C35 H37 126.5 . .
N2 C35 H37 126.5 . .
N2 C36 C37 111.7(4) . .
N2 C36 H38A 109.3 . .
C37 C36 H38A 109.3 . .
N2 C36 H38B 109.3 . .
C37 C36 H38B 109.3 . .
H38A C36 H38B 107.9 . .
C38 C37 C36 113.7(5) . .
C38 C37 H39A 108.8 . .
C36 C37 H39A 108.8 . .
C38 C37 H39B 108.8 . .
C36 C37 H39B 108.8 . .
H39A C37 H39B 107.7 . .
C37 C38 C39 115.0(5) . .
C37 C38 H40A 108.5 . .
C39 C38 H40A 108.5 . .
C37 C38 H40B 108.5 . .
C39 C38 H40B 108.5 . .
H40A C38 H40B 107.5 . .
N3 C39 C38 112.1(4) . .
N3 C39 H41A 109.2 . .
C38 C39 H41A 109.2 . .
N3 C39 H41B 109.2 . .
C38 C39 H41B 109.2 . .
H41A C39 H41B 107.9 . .
N4 C40 N3 111.1(4) . .
N4 C40 H42 124.5 . .
N3 C40 H42 124.5 . .
C42 C41 N4 108.8(5) . .
C42 C41 H44 125.6 . .
N4 C41 H44 125.6 . .
C41 C42 N3 107.5(5) . .
C41 C42 H43 126.3 . .
N3 C42 H43 126.3 . .
N5 C43 H43A 109.5 . .
N5 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
N5 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
N5 C44 H44A 109.5 . .
N5 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
N5 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
O9 C45 N5 120.7(13) . .
O9 C45 H45 119.6 . .
N5 C45 H45 119.6 . .
N6 C46 H46A 109.5 . .
N6 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
N6 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
O10 C47 O10 81(2) . 4_656
O10 C47 N6 139.5(10) . .
O10 C47 N6 139.5(10) 4_656 .
C33 N1 C34 105.2(5) . .
C33 N1 Zn1 126.0(4) . 6
C34 N1 Zn1 128.8(3) . 6
C33 N2 C35 107.4(4) . .
C33 N2 C36 126.6(5) . .
C35 N2 C36 125.8(5) . .
C40 N3 C42 106.8(4) . .
C40 N3 C39 126.7(5) . .
C42 N3 C39 126.5(4) . .
C40 N4 C41 105.8(4) . .
C40 N4 Zn2 126.2(3) . .
C41 N4 Zn2 128.0(3) . .
C45 N5 C44 119.9(10) . .
C45 N5 C43 110.9(11) . .
C44 N5 C43 129.1(10) . .
C47 N6 C46 121.2(6) . 4_656
C47 N6 C46 121.2(6) . .
C46 N6 C46 117.6(12) 4_656 .
C15 O1 Zn1 114.7(4) . .
C16 O3 Zn2 122.8(5) . .
C17 O5 Zn1 120.0(4) . .
C31 O7 Zn2 115.9(4) . .
C47 O10 O10 49.5(10) . 4_656
O5 Zn1 O1 93.15(18) . .
O5 Zn1 N1 111.29(12) . 12_565
O1 Zn1 N1 112.91(12) . 12_565
O5 Zn1 N1 111.29(13) . 6_554
O1 Zn1 N1 112.91(12) . 6_554
N1 Zn1 N1 113.6(2) 12_565 6_554
O3 Zn2 O7 95.01(19) . .
O3 Zn2 N4 109.11(13) . .
O7 Zn2 N4 113.45(12) . .
O3 Zn2 N4 109.11(12) . 11
O7 Zn2 N4 113.45(13) . 11
N4 Zn2 N4 114.8(2) . 11
C5 C5A C6A 93(3) . .
C5 C5A C6 63(2) . .
C6A C5A C6 29.9(15) . .
C5 C5A C12 62(2) . .
C6A C5A C12 118(2) . .
C6 C5A C12 97.6(17) . .
C5 C5A C5A 8(2) . 11
C6A C5A C5A 88.5(19) . 11
C6 C5A C5A 58.7(11) . 11
C12 C5A C5A 58.9(11) . 11
C6 C6A C5A 90(3) . .
C6 C6A C6A 2(3) . 11
C5A C6A C6A 91.5(19) . 11
C6 C6A C7 60(2) . .
C5A C6A C7 115(2) . .
C6A C6A C7 60.9(11) 11 .
C6 C6A C5 60(3) . .
C5A C6A C5 30.6(15) . .
C6A C6A C5 61.1(11) 11 .
C7 C6A C5 99.5(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C10 1.371(9) .
C1 C2 1.395(9) .
C1 H1 0.9300 .
C2 C3 1.408(10) .
C2 C15 1.501(9) .
C3 C4 1.367(10) .
C3 H3 0.9300 .
C4 C11 1.401(10) .
C4 H4 0.9300 .
C5 C5A 0.83(3) .
C5 C5A 0.83(3) 11
C5 C6 1.41(2) .
C5 C12 1.410(16) .
C5 C6A 1.62(3) .
C5 C6A 1.62(3) 11
C6 C6A 0.78(3) .
C6 C6A 0.78(3) 11
C6 C7 1.391(17) .
C6 C5A 1.58(3) 11
C6 C5A 1.58(3) .
C7 C8 1.399(10) .
C7 C16 1.502(10) .
C7 C6A 1.61(3) .
C7 C6A 1.61(3) 11
C8 C13 1.382(10) .
C8 H8 0.9300 .
C9 C13 1.518(10) .
C9 C10 1.533(9) .
C9 C14 1.536(6) .
C9 C14 1.536(6) 11
C10 C11 1.403(10) .
C11 C12 1.468(10) .
C12 C13 1.393(10) .
C12 C5A 1.59(3) .
C12 C5A 1.59(3) 11
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 O2 1.223(8) .
C15 O1 1.271(7) .
C16 O4 1.226(8) .
C16 O3 1.286(9) .
C17 O6 1.219(8) .
C17 O5 1.273(8) .
C17 C18 1.485(9) .
C18 C21 1.377(10) 1_565
C18 C19 1.379(9) .
C19 C20 1.375(10) .
C19 H20 0.9300 .
C20 C23 1.390(9) 1_565
C20 H21 0.9300 .
C21 C18 1.377(10) 1_545
C21 C22 1.391(10) .
C21 H18 0.9300 .
C22 C23 1.391(10) .
C22 C30 1.565(12) .
C22 C30 1.565(12) 11
C23 C20 1.390(9) 1_545
C23 C24 1.473(10) .
C24 C25 1.382(9) .
C24 C29 1.405(10) .
C25 C26 1.386(10) .
C25 H22 0.9300 .
C26 C27 1.373(10) .
C26 H23 0.9300 .
C27 C28 1.395(9) .
C27 C31 1.500(10) .
C28 C29 1.365(10) .
C28 H25 0.9300 .
C29 C30 1.576(12) .
C29 C30 1.576(11) 11
C30 C30 0.818(18) 11
C30 C32 1.153(14) .
C30 C32A 1.495(15) .
C30 C32 1.513(13) 11
C31 O8 1.243(8) .
C31 O7 1.281(8) .
C32 C32 1.17(2) 11
C32 C32A 1.278(15) .
C32 C30 1.513(14) 11
C33 N1 1.323(6) .
C33 N2 1.330(7) .
C33 H35 0.9300 .
C34 C35 1.348(7) .
C34 N1 1.375(6) .
C34 H36 0.9300 .
C35 N2 1.353(7) .
C35 H37 0.9300 .
C36 N2 1.470(6) .
C36 C37 1.524(7) .
C36 H38A 0.9700 .
C36 H38B 0.9700 .
C37 C38 1.501(8) .
C37 H39A 0.9700 .
C37 H39B 0.9700 .
C38 C39 1.520(7) .
C38 H40A 0.9700 .
C38 H40B 0.9700 .
C39 N3 1.461(6) .
C39 H41A 0.9700 .
C39 H41B 0.9700 .
C40 N4 1.324(6) .
C40 N3 1.343(6) .
C40 H42 0.9300 .
C41 C42 1.342(7) .
C41 N4 1.382(6) .
C41 H44 0.9300 .
C42 N3 1.368(7) .
C42 H43 0.9300 .
C43 N5 1.491(14) .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 N5 1.444(12) .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 O9 1.253(14) .
C45 N5 1.254(12) .
C45 H45 0.9300 .
C46 N6 1.410(11) .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 O10 1.123(13) .
C47 O10 1.123(13) 4_656
C47 N6 1.269(14) .
N1 Zn1 2.005(4) 6
N4 Zn2 1.988(4) .
N6 C46 1.410(11) 4_656
O1 Zn1 1.963(4) .
O3 Zn2 1.952(4) .
O5 Zn1 1.946(4) .
O7 Zn2 1.955(4) .
O10 O10 1.46(3) 4_656
Zn1 N1 2.005(4) 12_565
Zn1 N1 2.005(4) 6_554
Zn2 N4 1.988(4) 11
C5A C6A 1.36(4) .
C5A C5A 1.64(6) 11
C6A C6A 1.57(6) 11
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
C10 C1 C2 C3 0.000(4) . .
C10 C1 C2 C15 180.000(3) . .
C1 C2 C3 C4 0.000(5) . .
C15 C2 C3 C4 180.000(4) . .
C2 C3 C4 C11 0.000(5) . .
C5A C5 C6 C6A 9(4) . .
C5A C5 C6 C6A 176(4) 11 .
C12 C5 C6 C6A 92(3) . .
C6A C5 C6 C6A -175(6) 11 .
C5A C5 C6 C6A -176(4) . 11
C5A C5 C6 C6A -9(4) 11 11
C12 C5 C6 C6A -92(3) . 11
C6A C5 C6 C6A 175(6) . 11
C5A C5 C6 C7 -84(2) . .
C5A C5 C6 C7 84(2) 11 .
C12 C5 C6 C7 0.000(8) . .
C6A C5 C6 C7 -92(3) . .
C6A C5 C6 C7 92(3) 11 .
C5A C5 C6 C5A -167(5) . 11
C12 C5 C6 C5A -84(2) . 11
C6A C5 C6 C5A -176(4) . 11
C6A C5 C6 C5A 9(4) 11 11
C5A C5 C6 C5A 167(5) 11 .
C12 C5 C6 C5A 84(2) . .
C6A C5 C6 C5A -9(4) . .
C6A C5 C6 C5A 176(4) 11 .
C6A C6 C7 C8 -92(3) . .
C6A C6 C7 C8 92(3) 11 .
C5 C6 C7 C8 0.000(7) . .
C5A C6 C7 C8 35.1(13) 11 .
C5A C6 C7 C8 -35.1(13) . .
C6A C6 C7 C16 88(3) . .
C6A C6 C7 C16 -88(3) 11 .
C5 C6 C7 C16 180.000(6) . .
C5A C6 C7 C16 -144.9(13) 11 .
C5A C6 C7 C16 144.9(13) . .
C6A C6 C7 C6A -176(6) 11 .
C5 C6 C7 C6A 92(3) . .
C5A C6 C7 C6A 127(4) 11 .
C5A C6 C7 C6A 57(3) . .
C6A C6 C7 C6A 176(6) . 11
C5 C6 C7 C6A -92(3) . 11
C5A C6 C7 C6A -57(3) 11 11
C5A C6 C7 C6A -127(4) . 11
C6 C7 C8 C13 0.000(4) . .
C16 C7 C8 C13 180.000(3) . .
C6A C7 C8 C13 -32.6(12) . .
C6A C7 C8 C13 32.6(12) 11 .
C2 C1 C10 C11 0.000(4) . .
C2 C1 C10 C9 180.000(3) . .
C13 C9 C10 C1 180.000(4) . .
C14 C9 C10 C1 -62.0(4) . .
C14 C9 C10 C1 62.0(4) 11 .
C13 C9 C10 C11 0.000(3) . .
C14 C9 C10 C11 118.0(4) . .
C14 C9 C10 C11 -118.0(4) 11 .
C3 C4 C11 C10 0.000(4) . .
C3 C4 C11 C12 180.000(4) . .
C1 C10 C11 C4 0.000(4) . .
C9 C10 C11 C4 180.000(4) . .
C1 C10 C11 C12 180.000(4) . .
C9 C10 C11 C12 0.000(4) . .
C5A C5 C12 C13 83(2) . .
C5A C5 C12 C13 -83(2) 11 .
C6 C5 C12 C13 0.000(6) . .
C6A C5 C12 C13 31.6(12) . .
C6A C5 C12 C13 -31.6(12) 11 .
C5A C5 C12 C11 -97(2) . .
C5A C5 C12 C11 97(2) 11 .
C6 C5 C12 C11 180.000(6) . .
C6A C5 C12 C11 -148.4(12) . .
C6A C5 C12 C11 148.4(12) 11 .
C5A C5 C12 C5A -166(5) 11 .
C6 C5 C12 C5A -83(2) . .
C6A C5 C12 C5A -51(2) . .
C6A C5 C12 C5A -115(3) 11 .
C5A C5 C12 C5A 166(5) . 11
C6 C5 C12 C5A 83(2) . 11
C6A C5 C12 C5A 115(3) . 11
C6A C5 C12 C5A 51(2) 11 11
C4 C11 C12 C13 180.000(4) . .
C10 C11 C12 C13 0.000(4) . .
C4 C11 C12 C5 0.000(8) . .
C10 C11 C12 C5 180.000(7) . .
C4 C11 C12 C5A -39.3(13) . .
C10 C11 C12 C5A 140.7(13) . .
C4 C11 C12 C5A 39.3(14) . 11
C10 C11 C12 C5A -140.7(14) . 11
C7 C8 C13 C12 0.000(5) . .
C7 C8 C13 C9 180.000(4) . .
C5 C12 C13 C8 0.000(5) . .
C11 C12 C13 C8 180.000(3) . .
C5A C12 C13 C8 34.4(12) . .
C5A C12 C13 C8 -34.4(12) 11 .
C5 C12 C13 C9 180.000(4) . .
C11 C12 C13 C9 0.000(3) . .
C5A C12 C13 C9 -145.6(12) . .
C5A C12 C13 C9 145.6(12) 11 .
C10 C9 C13 C8 180.000(4) . .
C14 C9 C13 C8 61.4(4) . .
C14 C9 C13 C8 -61.4(4) 11 .
C10 C9 C13 C12 0.000(3) . .
C14 C9 C13 C12 -118.6(4) . .
C14 C9 C13 C12 118.6(4) 11 .
C1 C2 C15 O2 0.000(4) . .
C3 C2 C15 O2 180.000(3) . .
C1 C2 C15 O1 180.000(3) . .
C3 C2 C15 O1 0.000(3) . .
C6 C7 C16 O4 0.000(4) . .
C8 C7 C16 O4 180.000(4) . .
C6A C7 C16 O4 32.2(12) . .
C6A C7 C16 O4 -32.2(12) 11 .
C6 C7 C16 O3 180.000(3) . .
C8 C7 C16 O3 0.000(4) . .
C6A C7 C16 O3 -147.8(12) . .
C6A C7 C16 O3 147.8(12) 11 .
O6 C17 C18 C21 180.000(4) . 1_565
O5 C17 C18 C21 0.000(5) . 1_565
O6 C17 C18 C19 0.000(5) . .
O5 C17 C18 C19 180.000(4) . .
C21 C18 C19 C20 0.000(5) 1_565 .
C17 C18 C19 C20 180.000(4) . .
C18 C19 C20 C23 0.000(5) . 1_565
C18 C21 C22 C23 0.000(3) 1_545 .
C18 C21 C22 C30 160.7(5) 1_545 .
C18 C21 C22 C30 -160.7(5) 1_545 11
C21 C22 C23 C20 0.000(3) . 1_545
C30 C22 C23 C20 -163.9(4) . 1_545
C30 C22 C23 C20 163.9(4) 11 1_545
C21 C22 C23 C24 180.000(2) . .
C30 C22 C23 C24 16.1(4) . .
C30 C22 C23 C24 -16.1(4) 11 .
C20 C23 C24 C25 0.000(4) 1_545 .
C22 C23 C24 C25 180.000(3) . .
C20 C23 C24 C29 180.000(3) 1_545 .
C22 C23 C24 C29 0.000(3) . .
C29 C24 C25 C26 0.000(3) . .
C23 C24 C25 C26 180.000(3) . .
C24 C25 C26 C27 0.000(3) . .
C25 C26 C27 C28 0.000(3) . .
C25 C26 C27 C31 180.000(3) . .
C26 C27 C28 C29 0.000(4) . .
C31 C27 C28 C29 180.000(3) . .
C27 C28 C29 C24 0.000(4) . .
C27 C28 C29 C30 -160.9(5) . .
C27 C28 C29 C30 160.9(5) . 11
C25 C24 C29 C28 0.000(3) . .
C23 C24 C29 C28 180.000(3) . .
C25 C24 C29 C30 164.0(4) . .
C23 C24 C29 C30 -16.0(4) . .
C25 C24 C29 C30 -164.0(4) . 11
C23 C24 C29 C30 16.0(4) . 11
C21 C22 C30 C30 102.1(4) . 11
C23 C22 C30 C30 -95.7(3) . 11
C21 C22 C30 C32 13.1(14) . .
C23 C22 C30 C32 175.4(11) . .
C30 C22 C30 C32 -88.9(12) 11 .
C21 C22 C30 C32A -55.0(10) . .
C23 C22 C30 C32A 107.2(8) . .
C30 C22 C30 C32A -157.1(7) 11 .
C21 C22 C30 C32 64.4(8) . 11
C23 C22 C30 C32 -133.3(6) . 11
C30 C22 C30 C32 -37.7(7) 11 11
C21 C22 C30 C29 174.4(3) . .
C23 C22 C30 C29 -23.4(5) . .
C30 C22 C30 C29 72.3(4) 11 .
C28 C29 C30 C30 -102.0(4) . 11
C24 C29 C30 C30 95.6(2) . 11
C28 C29 C30 C32 -13.0(14) . .
C24 C29 C30 C32 -175.4(11) . .
C30 C29 C30 C32 89.0(12) 11 .
C28 C29 C30 C32A 56.2(10) . .
C24 C29 C30 C32A -106.2(8) . .
C30 C29 C30 C32A 158.2(8) 11 .
C28 C29 C30 C32 -64.4(8) . 11
C24 C29 C30 C32 133.2(6) . 11
C30 C29 C30 C32 37.6(7) 11 11
C28 C29 C30 C22 -174.2(3) . .
C24 C29 C30 C22 23.4(5) . .
C30 C29 C30 C22 -72.2(4) 11 .
C26 C27 C31 O8 180.000(3) . .
C28 C27 C31 O8 0.000(3) . .
C26 C27 C31 O7 0.000(3) . .
C28 C27 C31 O7 180.000(2) . .
C30 C30 C32 C32 0.000(7) 11 11
C32A C30 C32 C32 178.9(7) . 11
C22 C30 C32 C32 77.6(9) . 11
C29 C30 C32 C32 -77.7(9) . 11
C30 C30 C32 C32A -178.9(7) 11 .
C32 C30 C32 C32A -178.9(7) 11 .
C22 C30 C32 C32A -101.3(12) . .
C29 C30 C32 C32A 103.3(12) . .
C32A C30 C32 C30 178.9(7) . 11
C32 C30 C32 C30 0.000(12) 11 11
C22 C30 C32 C30 77.6(9) . 11
C29 C30 C32 C30 -77.7(9) . 11
C32 C32 C32A C30 -2.7(17) 11 .
C30 C32 C32A C30 -0.6(4) 11 .
C30 C30 C32A C32 2.4(15) 11 .
C32 C30 C32A C32 0.8(5) 11 .
C22 C30 C32A C32 120.6(12) . .
C29 C30 C32A C32 -120.3(12) . .
N1 C34 C35 N2 0.4(6) . .
N2 C36 C37 C38 59.6(6) . .
C36 C37 C38 C39 -175.7(5) . .
C37 C38 C39 N3 -63.3(6) . .
N4 C41 C42 N3 -0.1(6) . .
N2 C33 N1 C34 0.0(5) . .
N2 C33 N1 Zn1 179.6(3) . 6
C35 C34 N1 C33 -0.3(6) . .
C35 C34 N1 Zn1 -179.8(3) . 6
N1 C33 N2 C35 0.2(6) . .
N1 C33 N2 C36 175.6(4) . .
C34 C35 N2 C33 -0.4(6) . .
C34 C35 N2 C36 -175.8(5) . .
C37 C36 N2 C33 -109.3(6) . .
C37 C36 N2 C35 65.3(7) . .
N4 C40 N3 C42 1.0(5) . .
N4 C40 N3 C39 -178.1(4) . .
C41 C42 N3 C40 -0.5(6) . .
C41 C42 N3 C39 178.6(4) . .
C38 C39 N3 C40 102.8(6) . .
C38 C39 N3 C42 -76.1(6) . .
N3 C40 N4 C41 -1.1(5) . .
N3 C40 N4 Zn2 -179.6(3) . .
C42 C41 N4 C40 0.7(6) . .
C42 C41 N4 Zn2 179.2(3) . .
O9 C45 N5 C44 -20(2) . .
O9 C45 N5 C43 164.0(14) . .
O10 C47 N6 C46 -176.1(13) . 4_656
O10 C47 N6 C46 3.9(13) 4_656 4_656
O10 C47 N6 C46 3.9(13) . .
O10 C47 N6 C46 -176.1(13) 4_656 .
O2 C15 O1 Zn1 0.000(3) . .
C2 C15 O1 Zn1 180.000(2) . .
O4 C16 O3 Zn2 0.000(4) . .
C7 C16 O3 Zn2 180.000(2) . .
O6 C17 O5 Zn1 0.000(4) . .
C18 C17 O5 Zn1 180.000(2) . .
O8 C31 O7 Zn2 0.000(3) . .
C27 C31 O7 Zn2 180.000(2) . .
N6 C47 O10 O10 180.000(18) . 4_656
C17 O5 Zn1 O1 180.000(2) . .
C17 O5 Zn1 N1 -63.90(13) . 12_565
C17 O5 Zn1 N1 63.90(13) . 6_554
C15 O1 Zn1 O5 180.000(2) . .
C15 O1 Zn1 N1 65.29(13) . 12_565
C15 O1 Zn1 N1 -65.29(13) . 6_554
C16 O3 Zn2 O7 180.000(2) . .
C16 O3 Zn2 N4 -63.06(12) . .
C16 O3 Zn2 N4 63.06(12) . 11
C31 O7 Zn2 O3 180.000(2) . .
C31 O7 Zn2 N4 66.66(13) . .
C31 O7 Zn2 N4 -66.66(13) . 11
C40 N4 Zn2 O3 38.1(4) . .
C41 N4 Zn2 O3 -140.1(4) . .
C40 N4 Zn2 O7 142.7(4) . .
C41 N4 Zn2 O7 -35.6(4) . .
C40 N4 Zn2 N4 -84.7(4) . 11
C41 N4 Zn2 N4 97.1(4) . 11
C5A C5 C5A C6A -59(19) 11 .
C6 C5 C5A C6A -5(2) . .
C12 C5 C5A C6A -120.5(19) . .
C6A C5 C5A C6A -7(3) 11 .
C5A C5 C5A C6 -54(18) 11 .
C12 C5 C5A C6 -115.5(11) . .
C6A C5 C5A C6 5(2) . .
C6A C5 C5A C6 -2(2) 11 .
C5A C5 C5A C12 61(18) 11 .
C6 C5 C5A C12 115.5(11) . .
C6A C5 C5A C12 120.5(19) . .
C6A C5 C5A C12 113(2) 11 .
C6 C5 C5A C5A 54(18) . 11
C12 C5 C5A C5A -61(18) . 11
C6A C5 C5A C5A 59(19) . 11
C6A C5 C5A C5A 52(17) 11 11
C6A C6 C5A C5 -170(4) . .
C6A C6 C5A C5 5(4) 11 .
C7 C6 C5A C5 114(2) . .
C5A C6 C5A C5 7(3) 11 .
C6A C6 C5A C6A 175(7) 11 .
C7 C6 C5A C6A -76(3) . .
C5 C6 C5A C6A 170(4) . .
C5A C6 C5A C6A 177(3) 11 .
C6A C6 C5A C12 136(3) . .
C6A C6 C5A C12 -49(4) 11 .
C7 C6 C5A C12 60.3(16) . .
C5 C6 C5A C12 -54(2) . .
C5A C6 C5A C12 -46.3(17) 11 .
C6A C6 C5A C5A -177(3) . 11
C6A C6 C5A C5A -3(3) 11 11
C7 C6 C5A C5A 106.6(12) . 11
C5 C6 C5A C5A -7(3) . 11
C13 C12 C5A C5 -114(2) . .
C11 C12 C5A C5 107(2) . .
C5A C12 C5A C5 -8(3) 11 .
C13 C12 C5A C6A -36(3) . .
C5 C12 C5A C6A 77(3) . .
C11 C12 C5A C6A -175.4(19) . .
C5A C12 C5A C6A 69(3) 11 .
C13 C12 C5A C6 -59.4(16) . .
C5 C12 C5A C6 54(2) . .
C11 C12 C5A C6 161.6(8) . .
C5A C12 C5A C6 46.2(17) 11 .
C13 C12 C5A C5A -105.6(9) . 11
C5 C12 C5A C5A 8(3) . 11
C11 C12 C5A C5A 115.4(12) . 11
C6A C6 C6A C5A -116(65) 11 .
C7 C6 C6A C5A 118.6(17) . .
C5 C6 C6A C5A -5(2) . .
C5A C6 C6A C5A -3(3) 11 .
C7 C6 C6A C6A -126(65) . 11
C5 C6 C6A C6A 111(65) . 11
C5A C6 C6A C6A 113(66) 11 11
C5A C6 C6A C6A 116(65) . 11
C6A C6 C6A C7 126(66) 11 .
C5 C6 C6A C7 -123.8(14) . .
C5A C6 C6A C7 -121(3) 11 .
C5A C6 C6A C7 -118.6(17) . .
C6A C6 C6A C5 -111(65) 11 .
C7 C6 C6A C5 123.8(14) . .
C5A C6 C6A C5 3(2) 11 .
C5A C6 C6A C5 5(2) . .
C5 C5A C6A C6 9(4) . .
C12 C5A C6A C6 -51(4) . .
C5A C5A C6A C6 2(3) 11 .
C5 C5A C6A C6A 7(3) . 11
C6 C5A C6A C6A -2(3) . 11
C12 C5A C6A C6A -53(2) . 11
C5A C5A C6A C6A 0.000(10) 11 11
C5 C5A C6A C7 65(3) . .
C6 C5A C6A C7 56(3) . .
C12 C5A C6A C7 5(3) . .
C5A C5A C6A C7 58.5(19) 11 .
C6 C5A C6A C5 -9(4) . .
C12 C5A C6A C5 -60(3) . .
C5A C5A C6A C5 -7(3) 11 .
C8 C7 C6A C6 103(3) . .
C16 C7 C6A C6 -107(3) . .
C6A C7 C6A C6 -2(3) 11 .
C6 C7 C6A C5A -75(3) . .
C8 C7 C6A C5A 28(3) . .
C16 C7 C6A C5A 178(2) . .
C6A C7 C6A C5A -77(3) 11 .
C6 C7 C6A C6A 2(3) . 11
C8 C7 C6A C6A 105.4(9) . 11
C16 C7 C6A C6A -104.5(9) . 11
C6 C7 C6A C5 -47(2) . .
C8 C7 C6A C5 56.1(17) . .
C16 C7 C6A C5 -153.7(10) . .
C6A C7 C6A C5 -49.3(17) 11 .
C5A C5 C6A C6 -170(5) . .
C5A C5 C6A C6 -4(4) 11 .
C12 C5 C6A C6 -101(3) . .
C6A C5 C6A C6 3(3) 11 .
C5A C5 C6A C5A 165(6) 11 .
C6 C5 C6A C5A 170(5) . .
C12 C5 C6A C5A 69(3) . .
C6A C5 C6A C5A 172(3) 11 .
C5A C5 C6A C6A -172(3) . 11
C5A C5 C6A C6A -7(3) 11 11
C6 C5 C6A C6A -3(3) . 11
C12 C5 C6A C6A -103.4(10) . 11
C5A C5 C6A C7 -123(3) . .
C5A C5 C6A C7 42(3) 11 .
C6 C5 C6A C7 47(2) . .
C12 C5 C6A C7 -54.3(17) . .
C6A C5 C6A C7 49.1(17) 11 .
