#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:50:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180520 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/89/7218909.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_7218909
loop_
_publ_author_name
'He, Hongming'
'Du, Jianshi'
'Su, Hongmin'
'Yuan, Yinhong'
'Song, Yang'
'Sun, Fuxing'
_publ_section_title
;
 Four new metal--organic frameworks based on bi-, tetra-, penta-, and
 hexa-nuclear clusters derived from 5-(phenyldiazenyl)isophthalic acid:
 syntheses, structures and properties
;
_journal_issue                   5
_journal_name_full               CrystEngComm
_journal_page_first              1201
_journal_paper_doi               10.1039/C4CE01837K
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C276 H198 N42 O86 Zn23'
_chemical_formula_sum            'C276 H198 N42 O86 Zn23'
_chemical_formula_weight         6982.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           167
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-08-27 deposited with the CCDC.
2014-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   26.6550(4)
_cell_length_b                   26.6550(4)
_cell_length_c                   85.130(3)
_cell_measurement_temperature    293(2)
_cell_volume                     52381(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       87
_diffrn_reflns_limit_l_min       -113
_diffrn_reflns_number            144362
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.00
_exptl_absorpt_coefficient_mu    1.623
_exptl_absorpt_correction_T_max  0.651
_exptl_absorpt_correction_T_min  0.487
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Origin
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             21151
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.3
_refine_diff_density_max         4.003
_refine_diff_density_min         -1.150
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.225
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     633
_refine_ls_number_reflns         14498
_refine_ls_number_restraints     774
_refine_ls_restrained_S_all      1.215
_refine_ls_R_factor_all          0.1030
_refine_ls_R_factor_gt           0.0798
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1299P)²+442.6216P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2348
_refine_ls_wR_factor_ref         0.2550
_reflns_number_gt                11360
_reflns_number_total             14498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce01837k2.cif
_cod_data_source_block           b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7218907--7218910.cif.
;
_cod_original_sg_symbol_H-M      R-3c
_cod_database_code               7218909
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
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 0.95065(19) 0.3302(2) 0.06391(7) 0.0321(10) Uani 1 1 d U
C2 C 0.8973(2) 0.2933(2) 0.05469(7) 0.0356(10) Uani 1 1 d U
C3 C 0.8875(2) 0.2413(2) 0.04803(8) 0.0397(11) Uani 1 1 d U
H3 H 0.9150 0.2299 0.0491 0.060 Uiso 1 1 calc R
C4 C 0.8364(2) 0.2064(2) 0.03973(8) 0.0438(11) Uani 1 1 d U
C5 C 0.7946(2) 0.2231(3) 0.03848(8) 0.0441(12) Uani 1 1 d U
H5 H 0.7596 0.1992 0.0334 0.066 Uiso 1 1 calc R
C6 C 0.8050(2) 0.2748(2) 0.04472(8) 0.0423(11) Uani 1 1 d U
C7 C 0.8566(2) 0.3110(2) 0.05280(7) 0.0381(11) Uani 1 1 d U
H7 H 0.8635 0.3463 0.0568 0.057 Uiso 1 1 calc R
C8 C 0.7611(2) 0.2939(3) 0.04250(8) 0.0448(12) Uani 1 1 d U
C9 C 0.7703(4) 0.0692(4) 0.02088(15) 0.0889(19) Uani 1 1 d U
C10 C 0.8150(5) 0.0610(5) 0.01607(18) 0.113(2) Uani 1 1 d U
H10 H 0.8533 0.0889 0.0181 0.170 Uiso 1 1 calc R
C11 C 0.8018(6) 0.0098(6) 0.00804(19) 0.124(3) Uani 1 1 d U
H11 H 0.8309 0.0033 0.0045 0.186 Uiso 1 1 calc R
C12 C 0.7443(6) -0.0303(5) 0.00560(19) 0.122(3) Uani 1 1 d U
H12 H 0.7349 -0.0661 0.0013 0.182 Uiso 1 1 calc R
C13 C 0.7019(6) -0.0199(5) 0.00910(18) 0.115(3) Uani 1 1 d U
H13 H 0.6635 -0.0468 0.0068 0.172 Uiso 1 1 calc R
C14 C 0.7162(5) 0.0307(5) 0.01606(17) 0.106(2) Uani 1 1 d U
H14 H 0.6871 0.0397 0.0177 0.159 Uiso 1 1 calc R
C15 C 1.1222(2) 0.4643(2) 0.04910(7) 0.0347(10) Uani 1 1 d U
C16 C 1.1182(2) 0.4778(2) 0.03211(7) 0.0361(10) Uani 1 1 d U
C17 C 1.0647(2) 0.4510(2) 0.02459(7) 0.0394(11) Uani 1 1 d U
H17 H 1.0315 0.4251 0.0301 0.059 Uiso 1 1 calc R
C18 C 1.0608(2) 0.4627(3) 0.00918(8) 0.0433(12) Uani 1 1 d U
C19 C 1.1099(2) 0.5027(3) 0.00097(8) 0.0431(12) Uani 1 1 d U
H19 H 1.1068 0.5109 -0.0095 0.065 Uiso 1 1 calc R
C20 C 1.1632(2) 0.5302(2) 0.00837(7) 0.0358(10) Uani 1 1 d U
C21 C 1.1679(2) 0.5177(2) 0.02389(7) 0.0350(10) Uani 1 1 d U
H21 H 1.2039 0.5357 0.0288 0.053 Uiso 1 1 calc R
C22 C 1.2152(2) 0.5740(2) -0.00062(7) 0.0331(10) Uani 1 1 d U
C23 C 0.9134(3) 0.3737(3) -0.00191(10) 0.0589(15) Uani 1 1 d U
C24 C 0.8647(3) 0.3364(4) 0.00620(12) 0.0763(19) Uani 1 1 d U
H24 H 0.8666 0.3300 0.0169 0.114 Uiso 1 1 calc R
C25 C 0.8114(4) 0.3075(4) -0.00186(13) 0.082(2) Uani 1 1 d U
H25 H 0.7779 0.2815 0.0035 0.123 Uiso 1 1 calc R
C26 C 0.8087(3) 0.3174(4) -0.01718(13) 0.0760(19) Uani 1 1 d U
H26 H 0.7735 0.2984 -0.0225 0.114 Uiso 1 1 calc R
C27 C 0.8579(4) 0.3554(4) -0.02499(13) 0.080(2) Uani 1 1 d U
H27 H 0.8555 0.3626 -0.0356 0.120 Uiso 1 1 calc R
C28 C 0.9112(3) 0.3836(4) -0.01763(12) 0.0710(18) Uani 1 1 d U
H28 H 0.9446 0.4086 -0.0232 0.106 Uiso 1 1 calc R
C29 C 1.1071(2) 0.52715(19) 0.08775(7) 0.0308(10) Uani 1 1 d U
C30 C 1.10097(11) 0.57931(9) 0.09136(4) 0.0299(9) Uani 1 1 d GU
C31 C 1.04832(10) 0.57149(9) 0.09677(5) 0.0334(10) Uani 1 1 d GU
H31 H 1.0180 0.5344 0.0989 0.040 Uiso 1 1 calc R
C32 C 1.04101(11) 0.61911(12) 0.09899(5) 0.0352(10) Uani 1 1 d GU
C33 C 1.08636(13) 0.67455(10) 0.09580(5) 0.0347(10) Uani 1 1 d GU
H33 H 1.0815 0.7064 0.0973 0.042 Uiso 1 1 calc R
C34 C 1.13901(11) 0.68237(9) 0.09040(5) 0.0324(10) Uani 1 1 d GU
C35 C 1.14631(10) 0.63475(11) 0.08818(5) 0.0318(10) Uani 1 1 d GU
H35 H 1.1815 0.6400 0.0846 0.038 Uiso 1 1 calc R
C36 C 1.1863(2) 0.7424(2) 0.08632(7) 0.0337(10) Uani 1 1 d U
C37 C 0.9255(3) 0.6385(3) 0.11185(8) 0.0462(12) Uani 1 1 d U
C38 C 0.8863(3) 0.5879(3) 0.11965(9) 0.0561(14) Uani 1 1 d U
H38 H 0.8958 0.5595 0.1219 0.084 Uiso 1 1 calc R
C39 C 0.8329(3) 0.5806(4) 0.12399(10) 0.0644(16) Uani 1 1 d U
H39 H 0.8062 0.5465 0.1290 0.097 Uiso 1 1 calc R
C40 C 0.8188(3) 0.6235(4) 0.12100(10) 0.0651(16) Uani 1 1 d U
H40 H 0.7827 0.6179 0.1239 0.098 Uiso 1 1 calc R
C41 C 0.8576(3) 0.6731(4) 0.11382(10) 0.0615(14) Uani 1 1 d U
H41 H 0.8480 0.7016 0.1118 0.092 Uiso 1 1 calc R
C42 C 0.9124(3) 0.6823(3) 0.10937(9) 0.0566(14) Uani 1 1 d U
H42 H 0.9395 0.7172 0.1048 0.085 Uiso 1 1 calc R
C43 C 1.1713(4) 0.2867(5) 0.11968(13) 0.086(3) Uani 1 1 d U
H43A H 1.1916 0.2958 0.1098 0.130 Uiso 1 1 calc R
H43B H 1.1475 0.2454 0.1207 0.130 Uiso 1 1 calc R
H43C H 1.1988 0.3013 0.1281 0.130 Uiso 1 1 calc R
C44 C 1.1343(3) 0.3137(3) 0.12030(10) 0.0617(19) Uani 1 1 d U
C45 C 1.1240(6) 0.3003(6) 0.14909(12) 0.105(3) Uani 1 1 d U
H45A H 1.0876 0.2746 0.1540 0.157 Uiso 1 1 calc R
H45B H 1.1464 0.3329 0.1558 0.157 Uiso 1 1 calc R
H45C H 1.1448 0.2802 0.1472 0.157 Uiso 1 1 calc R
C46 C 1.0805(5) 0.3499(4) 0.13469(12) 0.085(3) Uani 1 1 d U
H46A H 1.1062 0.3907 0.1360 0.127 Uiso 1 1 calc R
H46B H 1.0541 0.3353 0.1434 0.127 Uiso 1 1 calc R
H46C H 1.0590 0.3430 0.1251 0.127 Uiso 1 1 calc R
N1 N 0.8290(3) 0.1543(2) 0.03336(8) 0.0589(16) Uani 1 1 d .
N2 N 0.7801(3) 0.1220(3) 0.02777(8) 0.0588(15) Uani 1 1 d .
N3 N 1.0084(2) 0.4358(3) 0.00012(7) 0.0566(15) Uani 1 1 d .
N4 N 0.9658(2) 0.4010(3) 0.00720(7) 0.0573(15) Uani 1 1 d .
N5 N 0.9857(2) 0.6070(2) 0.10485(7) 0.0421(12) Uani 1 1 d .
N6 N 0.9809(2) 0.6502(2) 0.10646(7) 0.0439(12) Uani 1 1 d .
N7 N 1.1134(4) 0.3208(3) 0.13405(8) 0.075(2) Uani 1 1 d .
O1 O 0.96092(15) 0.37861(15) 0.06876(5) 0.0376(9) Uani 1 1 d .
O2 O 0.98500(14) 0.31116(16) 0.06697(5) 0.0357(8) Uani 1 1 d .
O3 O 0.77967(18) 0.34765(18) 0.04269(6) 0.0467(10) Uani 1 1 d .
O4 O 0.70873(19) 0.2534(2) 0.04078(8) 0.0695(16) Uani 1 1 d .
O5 O 1.07523(16) 0.4365(2) 0.05621(5) 0.0465(10) Uani 1 1 d .
O6 O 1.17174(16) 0.48166(18) 0.05478(5) 0.0413(9) Uani 1 1 d .
O7 O 1.26203(15) 0.60116(16) 0.00671(5) 0.0381(9) Uani 1 1 d .
O8 O 1.20701(19) 0.5803(2) -0.01477(5) 0.0535(12) Uani 1 1 d .
O9 O 1.06138(15) 0.47925(14) 0.08764(5) 0.0391(9) Uani 1 1 d .
O10 O 1.15700(15) 0.53573(15) 0.08502(6) 0.0440(10) Uani 1 1 d .
O11 O 1.23530(16) 0.74881(15) 0.08324(6) 0.0483(11) Uani 1 1 d .
O12 O 1.17311(17) 0.78079(15) 0.08597(7) 0.0524(13) Uani 1 1 d .
O13 O 1.11436(13) 0.40128(13) 0.08519(4) 0.0264(7) Uani 1 1 d .
O14 O 1.3333 0.6667 -0.02458(7) 0.0258(12) Uani 1 3 d S
O15 O 1.1220(2) 0.3301(2) 0.10803(6) 0.0542(12) Uani 1 1 d .
Zn1 Zn 1.04331(2) 0.40332(2) 0.077959(7) 0.02466(13) Uani 1 1 d .
Zn2 Zn 1.13192(3) 0.3333 0.0833 0.0316(2) Uani 1 2 d S
Zn3 Zn 1.3333 0.6667 -0.001711(12) 0.0266(2) Uani 1 3 d S
Zn4 Zn 1.17753(2) 0.47815(3) 0.077838(9) 0.03660(16) Uani 1 1 d .
Zn5 Zn 1.25791(2) 0.61387(2) -0.033163(7) 0.03043(14) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 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
O1 C1 O2 120.9(5) . .
O1 C1 C2 120.1(4) . .
O2 C1 C2 119.0(5) . .
C7 C2 C3 119.9(5) . .
C7 C2 C1 119.2(5) . .
C3 C2 C1 120.9(5) . .
C2 C3 C4 120.2(5) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C5 C4 C3 119.6(6) . .
C5 C4 N1 123.0(5) . .
C3 C4 N1 117.3(5) . .
C6 C5 C4 119.9(5) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 C7 121.2(5) . .
C5 C6 C8 119.4(5) . .
C7 C6 C8 119.5(5) . .
C2 C7 C6 119.2(5) . .
C2 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
O3 C8 O4 127.2(5) . .
O3 C8 C6 117.0(5) . .
O4 C8 C6 115.8(5) . .
C14 C9 C10 118.0(10) . .
C14 C9 N2 118.4(9) . .
C10 C9 N2 122.4(9) . .
C9 C10 C11 118.8(11) . .
C9 C10 H10 120.6 . .
C11 C10 H10 120.6 . .
C12 C11 C10 118.2(13) . .
C12 C11 H11 120.9 . .
C10 C11 H11 120.9 . .
C13 C12 C11 122.5(12) . .
C13 C12 H12 118.8 . .
C11 C12 H12 118.8 . .
C12 C13 C14 117.7(12) . .
C12 C13 H13 121.1 . .
C14 C13 H13 121.1 . .
C9 C14 C13 123.9(12) . .
C9 C14 H14 118.0 . .
C13 C14 H14 118.0 . .
O5 C15 O6 126.1(5) . .
O5 C15 C16 115.9(5) . .
O6 C15 C16 118.0(5) . .
C17 C16 C21 119.8(5) . .
C17 C16 C15 119.8(5) . .
C21 C16 C15 120.4(5) . .
C18 C17 C16 120.1(5) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C19 120.4(5) . .
C17 C18 N3 124.7(5) . .
C19 C18 N3 114.8(6) . .
C20 C19 C18 120.1(6) . .
C20 C19 H19 120.0 . .
C18 C19 H19 120.0 . .
C21 C20 C19 120.0(5) . .
C21 C20 C22 120.9(5) . .
C19 C20 C22 119.0(5) . .
C20 C21 C16 119.5(5) . .
C20 C21 H21 120.2 . .
C16 C21 H21 120.2 . .
O7 C22 O8 126.4(5) . .
O7 C22 C20 117.5(5) . .
O8 C22 C20 116.1(5) . .
C24 C23 C28 121.1(7) . .
C24 C23 N4 115.2(8) . .
C28 C23 N4 123.6(7) . .
C23 C24 C25 119.0(9) . .
C23 C24 H24 120.5 . .
C25 C24 H24 120.5 . .
C26 C25 C24 120.3(9) . .
C26 C25 H25 119.9 . .
C24 C25 H25 119.9 . .
C25 C26 C27 119.7(8) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C26 C27 C28 121.9(10) . .
C26 C27 H27 119.0 . .
C28 C27 H27 119.0 . .
C23 C28 C27 118.0(8) . .
C23 C28 H28 121.0 . .
C27 C28 H28 121.0 . .
O9 C29 O10 126.1(5) . .
O9 C29 C30 116.3(4) . .
O10 C29 C30 117.6(4) . .
C31 C30 C35 120.0 . .
C31 C30 C29 119.7(2) . .
C35 C30 C29 120.2(2) . .
C30 C31 C32 120.0 . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C31 C32 C33 120.0 . .
C31 C32 N5 116.1(3) . .
C33 C32 N5 123.9(3) . .
C34 C33 C32 120.0 . .
C34 C33 H33 120.0 . .
C32 C33 H33 120.0 . .
C33 C34 C35 120.0 . .
C33 C34 C36 118.9(3) . .
C35 C34 C36 121.1(3) . .
C34 C35 C30 120.0 . .
C34 C35 H35 120.0 . .
C30 C35 H35 120.0 . .
O12 C36 O11 126.0(5) . .
O12 C36 C34 116.9(4) . .
O11 C36 C34 117.0(4) . .
C42 C37 C38 120.2(6) . .
C42 C37 N6 115.7(6) . .
C38 C37 N6 124.1(6) . .
C39 C38 C37 118.9(7) . .
C39 C38 H38 120.5 . .
C37 C38 H38 120.5 . .
C38 C39 C40 121.0(7) . .
C38 C39 H39 119.5 . .
C40 C39 H39 119.5 . .
C41 C40 C39 119.7(7) . .
C41 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C40 C41 C42 120.9(7) . .
C40 C41 H41 119.6 . .
C42 C41 H41 119.6 . .
C37 C42 C41 119.1(7) . .
C37 C42 H42 120.4 . .
C41 C42 H42 120.4 . .
C44 C43 H43A 109.5 . .
C44 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C44 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
O15 C44 N7 119.0(8) . .
O15 C44 C43 119.9(8) . .
N7 C44 C43 121.2(8) . .
N7 C45 H45A 109.5 . .
N7 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
N7 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
N7 C46 H46A 109.5 . .
N7 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
N7 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
N2 N1 C4 114.2(6) . .
N1 N2 C9 116.9(7) . .
N4 N3 C18 114.9(6) . .
N3 N4 C23 115.0(7) . .
N6 N5 C32 113.9(4) . .
N5 N6 C37 114.4(5) . .
C44 N7 C46 121.0(8) . .
C44 N7 C45 122.4(9) . .
C46 N7 C45 116.7(9) . .
C1 O1 Zn1 95.9(3) . .
C1 O2 Zn1 119.0(3) . 18_554
C1 O2 Zn1 84.0(3) . .
Zn1 O2 Zn1 95.76(16) 18_554 .
C8 O3 Zn5 125.8(4) . 19_765
C8 O4 Zn5 128.9(4) . 21_545
C15 O5 Zn1 140.7(4) . .
C15 O6 Zn4 117.2(4) . .
C22 O7 Zn3 125.0(4) . .
C22 O8 Zn5 134.4(4) . .
C29 O9 Zn1 130.8(3) . .
C29 O10 Zn4 126.8(3) . .
C36 O11 Zn4 122.6(3) . 3_775
C36 O12 Zn2 147.0(4) . 3_775
Zn4 O13 Zn1 101.44(14) . .
Zn4 O13 Zn2 115.25(15) . .
Zn1 O13 Zn2 128.32(16) . .
Zn5 O14 Zn5 106.56(18) 3_775 2_755
Zn5 O14 Zn5 106.56(18) 3_775 .
Zn5 O14 Zn5 106.56(18) 2_755 .
Zn5 O14 Zn3 112.24(17) 3_775 .
Zn5 O14 Zn3 112.24(17) 2_755 .
Zn5 O14 Zn3 112.24(17) . .
C44 O15 Zn2 143.5(6) . .
O9 Zn1 O13 98.43(15) . .
O9 Zn1 O5 95.62(18) . .
O13 Zn1 O5 95.41(15) . .
O9 Zn1 O1 98.93(16) . .
O13 Zn1 O1 162.22(14) . .
O5 Zn1 O1 86.67(16) . .
O9 Zn1 O2 93.11(16) . 18_554
O13 Zn1 O2 82.62(13) . 18_554
O5 Zn1 O2 171.24(18) . 18_554
O1 Zn1 O2 92.64(15) . 18_554
O9 Zn1 O2 156.66(14) . .
O13 Zn1 O2 103.45(12) . .
O5 Zn1 O2 90.35(16) . .
O1 Zn1 O2 58.83(14) . .
O2 Zn1 O2 81.85(17) 18_554 .
O9 Zn1 Zn1 136.72(12) . 18_554
O13 Zn1 Zn1 83.94(9) . 18_554
O5 Zn1 Zn1 127.34(14) . 18_554
O1 Zn1 Zn1 80.82(10) . 18_554
O2 Zn1 Zn1 44.05(11) 18_554 18_554
O2 Zn1 Zn1 40.20(9) . 18_554
O12 Zn2 O12 83.7(2) 2_755 17_754
O12 Zn2 O13 89.28(14) 2_755 .
O12 Zn2 O13 172.47(14) 17_754 .
O12 Zn2 O13 172.47(14) 2_755 18_554
O12 Zn2 O13 89.27(14) 17_754 18_554
O13 Zn2 O13 97.86(17) . 18_554
O12 Zn2 O15 99.3(2) 2_755 18_554
O12 Zn2 O15 89.6(2) 17_754 18_554
O13 Zn2 O15 88.87(17) . 18_554
O13 Zn2 O15 83.26(17) 18_554 18_554
O12 Zn2 O15 89.6(2) 2_755 .
O12 Zn2 O15 99.3(2) 17_754 .
O13 Zn2 O15 83.27(17) . .
O13 Zn2 O15 88.87(17) 18_554 .
O15 Zn2 O15 168.0(3) 18_554 .
O14 Zn3 O7 111.42(13) . 3_775
O14 Zn3 O7 111.42(13) . 2_755
O7 Zn3 O7 107.46(13) 3_775 2_755
O14 Zn3 O7 111.41(13) . .
O7 Zn3 O7 107.46(13) 3_775 .
O7 Zn3 O7 107.46(13) 2_755 .
O14 Zn3 Zn5 33.718(15) . 3_775
O7 Zn3 Zn5 78.45(12) 3_775 3_775
O7 Zn3 Zn5 117.16(13) 2_755 3_775
O7 Zn3 Zn5 130.90(12) . 3_775
O14 Zn3 Zn5 33.719(15) . 2_755
O7 Zn3 Zn5 130.91(12) 3_775 2_755
O7 Zn3 Zn5 78.45(12) 2_755 2_755
O7 Zn3 Zn5 117.16(13) . 2_755
Zn5 Zn3 Zn5 57.47(2) 3_775 2_755
O11 Zn4 O10 120.20(18) 2_755 .
O11 Zn4 O6 109.4(2) 2_755 .
O10 Zn4 O6 102.3(2) . .
O11 Zn4 O13 109.47(15) 2_755 .
O10 Zn4 O13 106.43(15) . .
O6 Zn4 O13 108.35(16) . .
O4 Zn5 O14 111.98(16) 20_665 .
O4 Zn5 O3 125.0(2) 20_665 19_765
O14 Zn5 O3 113.51(14) . 19_765
O4 Zn5 O8 97.7(2) 20_665 .
O14 Zn5 O8 105.1(2) . .
O3 Zn5 O8 98.8(2) 19_765 .
O4 Zn5 Zn5 132.87(16) 20_665 3_775
O14 Zn5 Zn5 36.72(9) . 3_775
O3 Zn5 Zn5 77.86(13) 19_765 3_775
O8 Zn5 Zn5 120.78(15) . 3_775
O4 Zn5 Zn5 77.20(15) 20_665 2_755
O14 Zn5 Zn5 36.72(9) . 2_755
O3 Zn5 Zn5 131.28(13) 19_765 2_755
O8 Zn5 Zn5 122.56(14) . 2_755
Zn5 Zn5 Zn5 60.000(1) 3_775 2_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.247(7) .
C1 O2 1.277(6) .
C1 C2 1.486(7) .
C2 C7 1.389(7) .
C2 C3 1.396(8) .
C3 C4 1.398(8) .
C3 H3 0.9300 .
C4 C5 1.396(8) .
C4 N1 1.410(8) .
C5 C6 1.370(9) .
C5 H5 0.9300 .
C6 C7 1.403(8) .
C6 C8 1.503(8) .
C7 H7 0.9300 .
C8 O3 1.260(7) .
C8 O4 1.278(7) .
C9 C14 1.350(14) .
C9 C10 1.377(15) .
C9 N2 1.424(10) .
C10 C11 1.404(16) .
C10 H10 0.9300 .
C11 C12 1.376(17) .
C11 H11 0.9300 .
C12 C13 1.327(18) .
C12 H12 0.9300 .
C13 C14 1.343(15) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O5 1.248(6) .
C15 O6 1.256(7) .
C15 C16 1.508(8) .
C16 C17 1.391(8) .
C16 C21 1.403(7) .
C17 C18 1.364(9) .
C17 H17 0.9300 .
C18 C19 1.394(8) .
C18 N3 1.434(8) .
C19 C20 1.383(8) .
C19 H19 0.9300 .
C20 C21 1.384(8) .
C20 C22 1.501(7) .
C21 H21 0.9300 .
C22 O7 1.252(7) .
C22 O8 1.251(7) .
C23 C24 1.364(11) .
C23 C28 1.372(13) .
C23 N4 1.437(9) .
C24 C25 1.410(12) .
C24 H24 0.9300 .
C25 C26 1.340(15) .
C25 H25 0.9300 .
C26 C27 1.364(13) .
C26 H26 0.9300 .
C27 C28 1.381(11) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 O9 1.249(6) .
C29 O10 1.254(6) .
C29 C30 1.510(5) .
C30 C31 1.3900 .
C30 C35 1.3900 .
C31 C32 1.3900 .
C31 H31 0.9300 .
C32 C33 1.3900 .
C32 N5 1.432(5) .
C33 C34 1.3900 .
C33 H33 0.9300 .
C34 C35 1.3900 .
C34 C36 1.501(5) .
C35 H35 0.9300 .
C36 O12 1.237(6) .
C36 O11 1.258(6) .
C37 C42 1.393(9) .
C37 C38 1.394(9) .
C37 N6 1.422(7) .
C38 C39 1.386(10) .
C38 H38 0.9300 .
C39 C40 1.396(12) .
C39 H39 0.9300 .
C40 C41 1.351(11) .
C40 H40 0.9300 .
C41 C42 1.406(9) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.487(13) .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 O15 1.237(9) .
C44 N7 1.348(12) .
C45 N7 1.473(12) .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 N7 1.435(13) .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
N1 N2 1.243(8) .
N3 N4 1.207(8) .
N5 N6 1.230(7) .
O1 Zn1 2.103(4) .
O2 Zn1 2.179(4) 18_554
O2 Zn1 2.347(4) .
O3 Zn5 1.934(4) 19_765
O4 Zn5 1.902(5) 21_545
O5 Zn1 2.044(4) .
O6 Zn4 1.975(4) .
O7 Zn3 1.964(3) .
O8 Zn5 1.969(4) .
O9 Zn1 2.008(4) .
O10 Zn4 1.967(4) .
O11 Zn4 1.918(4) 3_775
O12 Zn2 2.068(4) 3_775
O13 Zn4 1.994(3) .
O13 Zn1 2.018(3) .
O13 Zn2 2.091(3) .
O14 Zn5 1.930(2) 3_775
O14 Zn5 1.931(2) 2_755
O14 Zn5 1.931(2) .
O14 Zn3 1.947(6) .
O15 Zn2 2.116(5) .
Zn1 O2 2.179(4) 18_554
Zn1 Zn1 3.3584(10) 18_554
Zn2 O12 2.068(4) 2_755
Zn2 O12 2.068(4) 17_754
Zn2 O13 2.091(3) 18_554
Zn2 O15 2.116(5) 18_554
Zn3 O7 1.964(3) 3_775
Zn3 O7 1.964(3) 2_755
Zn3 Zn5 3.2189(11) 3_775
Zn3 Zn5 3.2190(11) 2_755
Zn4 O11 1.918(4) 2_755
Zn5 O4 1.902(5) 20_665
Zn5 O3 1.934(4) 19_765
Zn5 Zn5 3.0950(9) 3_775
Zn5 Zn5 3.0950(10) 2_755
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
O1 C1 C2 C7 -5.9(8) . .
O2 C1 C2 C7 173.0(5) . .
O1 C1 C2 C3 174.5(5) . .
O2 C1 C2 C3 -6.7(8) . .
C7 C2 C3 C4 -1.3(9) . .
C1 C2 C3 C4 178.4(6) . .
C2 C3 C4 C5 -1.6(10) . .
C2 C3 C4 N1 -179.7(6) . .
C3 C4 C5 C6 3.1(10) . .
N1 C4 C5 C6 -178.9(7) . .
C4 C5 C6 C7 -1.8(10) . .
C4 C5 C6 C8 176.5(6) . .
C3 C2 C7 C6 2.6(9) . .
C1 C2 C7 C6 -177.1(5) . .
C5 C6 C7 C2 -1.1(10) . .
C8 C6 C7 C2 -179.4(6) . .
C5 C6 C8 O3 -153.2(7) . .
C7 C6 C8 O3 25.1(10) . .
C5 C6 C8 O4 27.6(10) . .
C7 C6 C8 O4 -154.1(7) . .
C14 C9 C10 C11 -7(2) . .
N2 C9 C10 C11 -174.0(13) . .
C9 C10 C11 C12 -1(2) . .
C10 C11 C12 C13 7(3) . .
C11 C12 C13 C14 -4(3) . .
C10 C9 C14 C13 11(2) . .
N2 C9 C14 C13 178.5(13) . .
C12 C13 C14 C9 -6(2) . .
O5 C15 C16 C17 -11.3(8) . .
O6 C15 C16 C17 168.7(5) . .
O5 C15 C16 C21 168.0(5) . .
O6 C15 C16 C21 -12.0(8) . .
C21 C16 C17 C18 1.2(9) . .
C15 C16 C17 C18 -179.4(6) . .
C16 C17 C18 C19 -1.9(10) . .
C16 C17 C18 N3 177.3(6) . .
C17 C18 C19 C20 1.0(10) . .
N3 C18 C19 C20 -178.2(6) . .
C18 C19 C20 C21 0.5(10) . .
C18 C19 C20 C22 -178.8(6) . .
C19 C20 C21 C16 -1.1(9) . .
C22 C20 C21 C16 178.2(5) . .
C17 C16 C21 C20 0.2(9) . .
C15 C16 C21 C20 -179.1(5) . .
C21 C20 C22 O7 -4.3(8) . .
C19 C20 C22 O7 174.9(6) . .
C21 C20 C22 O8 176.9(6) . .
C19 C20 C22 O8 -3.9(8) . .
C28 C23 C24 C25 0.3(14) . .
N4 C23 C24 C25 -179.8(9) . .
C23 C24 C25 C26 -1.0(16) . .
C24 C25 C26 C27 0.2(16) . .
C25 C26 C27 C28 1.2(16) . .
C24 C23 C28 C27 1.0(14) . .
N4 C23 C28 C27 -178.8(8) . .
C26 C27 C28 C23 -1.8(15) . .
O9 C29 C30 C31 10.3(6) . .
O10 C29 C30 C31 -170.3(4) . .
O9 C29 C30 C35 -164.9(4) . .
O10 C29 C30 C35 14.5(6) . .
C35 C30 C31 C32 0.0 . .
C29 C30 C31 C32 -175.2(4) . .
C30 C31 C32 C33 0.0 . .
C30 C31 C32 N5 -178.9(4) . .
C31 C32 C33 C34 0.0 . .
N5 C32 C33 C34 178.8(5) . .
C32 C33 C34 C35 0.0 . .
C32 C33 C34 C36 177.1(4) . .
C33 C34 C35 C30 0.0 . .
C36 C34 C35 C30 -177.1(4) . .
C31 C30 C35 C34 0.0 . .
C29 C30 C35 C34 175.2(4) . .
C33 C34 C36 O12 -9.6(7) . .
C35 C34 C36 O12 167.5(5) . .
C33 C34 C36 O11 171.9(4) . .
C35 C34 C36 O11 -11.0(7) . .
C42 C37 C38 C39 3.9(12) . .
N6 C37 C38 C39 -178.3(7) . .
C37 C38 C39 C40 -1.5(13) . .
C38 C39 C40 C41 -0.3(13) . .
C39 C40 C41 C42 -0.2(13) . .
C38 C37 C42 C41 -4.4(12) . .
N6 C37 C42 C41 177.6(7) . .
C40 C41 C42 C37 2.6(12) . .
C5 C4 N1 N2 -6.2(11) . .
C3 C4 N1 N2 171.9(7) . .
C4 N1 N2 C9 178.8(8) . .
C14 C9 N2 N1 173.7(11) . .
C10 C9 N2 N1 -19.7(16) . .
C17 C18 N3 N4 0.6(11) . .
C19 C18 N3 N4 179.8(7) . .
C18 N3 N4 C23 -179.4(6) . .
C24 C23 N4 N3 -177.1(8) . .
C28 C23 N4 N3 2.8(12) . .
C31 C32 N5 N6 -179.2(4) . .
C33 C32 N5 N6 2.0(7) . .
C32 N5 N6 C37 178.3(5) . .
C42 C37 N6 N5 -161.4(7) . .
C38 C37 N6 N5 20.7(10) . .
O15 C44 N7 C46 -3.7(12) . .
C43 C44 N7 C46 176.4(9) . .
O15 C44 N7 C45 177.4(8) . .
C43 C44 N7 C45 -2.4(13) . .
O2 C1 O1 Zn1 6.4(6) . .
C2 C1 O1 Zn1 -174.8(4) . .
O1 C1 O2 Zn1 87.6(5) . 18_554
C2 C1 O2 Zn1 -91.3(6) . 18_554
O1 C1 O2 Zn1 -5.7(5) . .
C2 C1 O2 Zn1 175.5(5) . .
O4 C8 O3 Zn5 -24.1(11) . 19_765
C6 C8 O3 Zn5 156.8(5) . 19_765
O3 C8 O4 Zn5 16.3(12) . 21_545
C6 C8 O4 Zn5 -164.5(5) . 21_545
O6 C15 O5 Zn1 1.2(11) . .
C16 C15 O5 Zn1 -178.8(5) . .
O5 C15 O6 Zn4 -12.4(8) . .
C16 C15 O6 Zn4 167.6(4) . .
O8 C22 O7 Zn3 6.4(9) . .
C20 C22 O7 Zn3 -172.2(4) . .
O7 C22 O8 Zn5 19.4(10) . .
C20 C22 O8 Zn5 -161.9(5) . .
O10 C29 O9 Zn1 -18.8(9) . .
C30 C29 O9 Zn1 160.5(3) . .
O9 C29 O10 Zn4 6.2(9) . .
C30 C29 O10 Zn4 -173.1(3) . .
O12 C36 O11 Zn4 1.8(10) . 3_775
C34 C36 O11 Zn4 -179.9(4) . 3_775
O11 C36 O12 Zn2 -6.7(14) . 3_775
C34 C36 O12 Zn2 175.0(6) . 3_775
N7 C44 O15 Zn2 -177.0(5) . .
C43 C44 O15 Zn2 2.9(13) . .
C29 O9 Zn1 O13 46.1(5) . .
C29 O9 Zn1 O5 -50.3(5) . .
C29 O9 Zn1 O1 -137.8(5) . .
C29 O9 Zn1 O2 129.1(5) . 18_554
C29 O9 Zn1 O2 -154.4(4) . .
C29 O9 Zn1 Zn1 136.2(5) . 18_554
Zn4 O13 Zn1 O9 -52.53(18) . .
Zn2 O13 Zn1 O9 171.8(2) . .
Zn4 O13 Zn1 O5 43.99(19) . .
Zn2 O13 Zn1 O5 -91.6(2) . .
Zn4 O13 Zn1 O1 140.0(4) . .
Zn2 O13 Zn1 O1 4.4(6) . .
Zn4 O13 Zn1 O2 -144.60(18) . 18_554
Zn2 O13 Zn1 O2 79.8(2) . 18_554
Zn4 O13 Zn1 O2 135.65(15) . .
Zn2 O13 Zn1 O2 0.0(2) . .
Zn4 O13 Zn1 Zn1 171.05(14) . 18_554
Zn2 O13 Zn1 Zn1 35.43(19) . 18_554
C15 O5 Zn1 O9 77.2(7) . .
C15 O5 Zn1 O13 -21.8(7) . .
C15 O5 Zn1 O1 175.9(7) . .
C15 O5 Zn1 O2 -98.4(12) . 18_554
C15 O5 Zn1 O2 -125.4(7) . .
C15 O5 Zn1 Zn1 -108.3(6) . 18_554
C1 O1 Zn1 O9 -175.9(3) . .
C1 O1 Zn1 O13 -8.4(7) . .
C1 O1 Zn1 O5 89.0(4) . .
C1 O1 Zn1 O2 -82.3(3) . 18_554
C1 O1 Zn1 O2 -3.5(3) . .
C1 O1 Zn1 Zn1 -39.7(3) . 18_554
C1 O2 Zn1 O9 22.7(6) . .
Zn1 O2 Zn1 O9 -96.0(4) 18_554 .
C1 O2 Zn1 O13 -178.1(3) . .
Zn1 O2 Zn1 O13 63.18(15) 18_554 .
C1 O2 Zn1 O5 -82.5(3) . .
Zn1 O2 Zn1 O5 158.83(16) 18_554 .
C1 O2 Zn1 O1 3.4(3) . .
Zn1 O2 Zn1 O1 -115.27(19) 18_554 .
C1 O2 Zn1 O2 101.5(3) . 18_554
Zn1 O2 Zn1 O2 -17.17(18) 18_554 18_554
C1 O2 Zn1 Zn1 118.7(3) . 18_554
Zn4 O13 Zn2 O12 28.8(2) . 2_755
Zn1 O13 Zn2 O12 159.5(3) . 2_755
Zn4 O13 Zn2 O12 7.6(15) . 17_754
Zn1 O13 Zn2 O12 138.3(14) . 17_754
Zn4 O13 Zn2 O13 -153.6(2) . 18_554
Zn1 O13 Zn2 O13 -22.93(13) . 18_554
Zn4 O13 Zn2 O15 -70.6(2) . 18_554
Zn1 O13 Zn2 O15 60.1(2) . 18_554
Zn4 O13 Zn2 O15 118.4(2) . .
Zn1 O13 Zn2 O15 -110.9(2) . .
C44 O15 Zn2 O12 -69.0(8) . 2_755
C44 O15 Zn2 O12 14.5(8) . 17_754
C44 O15 Zn2 O13 -158.4(8) . .
C44 O15 Zn2 O13 103.6(8) . 18_554
C44 O15 Zn2 O15 152.4(8) . 18_554
Zn5 O14 Zn3 O7 12.80(13) 3_775 3_775
Zn5 O14 Zn3 O7 132.81(13) 2_755 3_775
Zn5 O14 Zn3 O7 -107.20(13) . 3_775
Zn5 O14 Zn3 O7 -107.20(13) 3_775 2_755
Zn5 O14 Zn3 O7 12.80(13) 2_755 2_755
Zn5 O14 Zn3 O7 132.80(13) . 2_755
Zn5 O14 Zn3 O7 132.80(13) 3_775 .
Zn5 O14 Zn3 O7 -107.20(13) 2_755 .
Zn5 O14 Zn3 O7 12.80(13) . .
Zn5 O14 Zn3 Zn5 120.0 2_755 3_775
Zn5 O14 Zn3 Zn5 -120.0 . 3_775
Zn5 O14 Zn3 Zn5 -120.0 3_775 2_755
Zn5 O14 Zn3 Zn5 120.0 . 2_755
C22 O7 Zn3 O14 -21.7(5) . .
C22 O7 Zn3 O7 100.6(5) . 3_775
C22 O7 Zn3 O7 -144.0(5) . 2_755
C22 O7 Zn3 Zn5 10.9(5) . 3_775
C22 O7 Zn3 Zn5 -58.3(5) . 2_755
C29 O10 Zn4 O11 -151.2(5) . 2_755
C29 O10 Zn4 O6 87.4(5) . .
C29 O10 Zn4 O13 -26.2(6) . .
C15 O6 Zn4 O11 164.6(4) . 2_755
C15 O6 Zn4 O10 -66.9(4) . .
C15 O6 Zn4 O13 45.3(4) . .
Zn1 O13 Zn4 O11 -179.39(19) . 2_755
Zn2 O13 Zn4 O11 -36.7(3) . 2_755
Zn1 O13 Zn4 O10 49.3(2) . .
Zn2 O13 Zn4 O10 -168.1(2) . .
Zn1 O13 Zn4 O6 -60.12(19) . .
Zn2 O13 Zn4 O6 82.5(2) . .
Zn5 O14 Zn5 O4 133.3(2) 3_775 20_665
Zn5 O14 Zn5 O4 19.8(3) 2_755 20_665
Zn3 O14 Zn5 O4 -103.4(2) . 20_665
Zn5 O14 Zn5 O3 -14.8(3) 3_775 19_765
Zn5 O14 Zn5 O3 -128.3(2) 2_755 19_765
Zn3 O14 Zn5 O3 108.42(17) . 19_765
Zn5 O14 Zn5 O8 -121.7(3) 3_775 .
Zn5 O14 Zn5 O8 124.8(3) 2_755 .
Zn3 O14 Zn5 O8 1.57(17) . .
Zn5 O14 Zn5 Zn5 -113.5(4) 2_755 3_775
Zn3 O14 Zn5 Zn5 123.25(19) . 3_775
Zn5 O14 Zn5 Zn5 113.5(4) 3_775 2_755
Zn3 O14 Zn5 Zn5 -123.25(19) . 2_755
C22 O8 Zn5 O4 92.8(6) . 20_665
C22 O8 Zn5 O14 -22.5(7) . .
C22 O8 Zn5 O3 -139.9(6) . 19_765
C22 O8 Zn5 Zn5 -58.8(7) . 3_775
C22 O8 Zn5 Zn5 13.1(7) . 2_755
