##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section C. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section C, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     'SHELXL-2018/1'
_chemical_name_systematic
;\
Poly[tris(μ₄-2,5-dimethylbenzene-1,4-dicarboxylato)bis(N,\
N-dimethylformamide)-μ₄-oxido-tetrazinc(II)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C36 H38 N2 O15 Zn4'
_chemical_formula_sum     'C36 H38 N2 O15 Zn4'
_chemical_formula_iupac     '[Zn4 (C10 H8 O4)3 O (C3 H7 N O)2]'
_chemical_formula_weight     1000.16
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 21/c'
_space_group_name_Hall     '-P 2ybc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     17.8530(9)
_cell_length_b     18.5810(11)
_cell_length_c     25.3020(15)
_cell_angle_alpha     90
_cell_angle_beta     91.504(2)
_cell_angle_gamma     90
_cell_volume     8390.5(8)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     6314
_cell_measurement_theta_min     2.5050
_cell_measurement_theta_max     29.9060
_cell_measurement_temperature     103(2)
_exptl_crystal_description     'block'
_exptl_crystal_colour     'colourless'
_exptl_crystal_size_max     0.100
_exptl_crystal_size_mid     0.100
_exptl_crystal_size_min     0.100
_exptl_crystal_density_diffrn     1.584
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     4064
_exptl_absorpt_coefficient_mu     2.327
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_absorpt_correction_T_min     0.88326
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     103(2)
_diffrn_source     'fine-focus sealed tube'
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Bruker APEXII CCD'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     76309
_diffrn_reflns_av_R_equivalents     0.0694
_diffrn_reflns_av_unetI/netI     0.0605
_diffrn_reflns_theta_min     2.472
_diffrn_reflns_theta_max     27.484
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -22
_diffrn_reflns_limit_h_max     23
_diffrn_reflns_limit_k_min     -23
_diffrn_reflns_limit_k_max     24
_diffrn_reflns_limit_l_min     -32
_diffrn_reflns_limit_l_max     32
_refine_special_details
;
The diffraction data
for Me₂MOF-5-int were collected using a Bruker APEXII
diffractometer equipped with an APEX II CCD detector using Mo-Ka
radiation (l = 0.71073 Å). The structure was solved using a direct method
(SHELXT) and refined by a full-matrix least-squares method on F² for
all reflections using the program SHELXL2018 (Sheldrick, 2015b). All
hydrogen atoms were placed using AFIX instructions, while all other atoms were
refined anisotropically. Supplementary crystallographic data were deposited at
the Cambridge Crystallographic Data Centre (CCDC) under reference number
CCDC-1972122, and this data can be obtained free of charge at
www.ccdc.cam.ac.uk/data_request.cif.
;
_reflns_number_total     19165
_reflns_number_gt     14438
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0694
_refine_ls_R_factor_gt     0.0424
_refine_ls_wR_factor_gt     0.0851
_refine_ls_wR_factor_ref     0.0969
_refine_ls_goodness_of_fit_ref     1.032
_refine_ls_restrained_S_all     1.039
_refine_ls_number_reflns     19165
_refine_ls_number_parameters     1064
_refine_ls_number_restraints     66
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
             'w=1/[σ²(Fo²)+(0.0296P)²+22.8476P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.227
_refine_diff_density_min     -0.844
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
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'
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_molecular_graphics     ?
_computing_publication_material
;
SHELXL2018 (Sheldrick, 2015b)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    O O1 0.74714(12) 0.69517(12) 0.25161(9) 0.0064(5) Uani d 1 . .
    Zn Zn1 0.74815(2) 0.61997(2) 0.19865(2) 0.00622(8) Uani d 1 . .
    Zn Zn2 0.83670(2) 0.69352(2) 0.29501(2) 0.00592(8) Uani d 1 . .
    Zn Zn3 0.66094(2) 0.68483(2) 0.29543(2) 0.00663(8) Uani d 1 . .
    Zn Zn4 0.73605(2) 0.78890(2) 0.21286(2) 0.00708(8) Uani d 1 . .
    O O2 0.66429(13) 0.55307(13) 0.20670(10) 0.0141(5) Uani d 1 . .
    C C1 0.61568(19) 0.55029(19) 0.24245(14) 0.0110(7) Uani d 1 . .
    O O3 0.61241(14) 0.59172(14) 0.28139(10) 0.0146(5) Uani d 1 . .
    C C2 0.55846(19) 0.49102(19) 0.23734(14) 0.0104(7) Uani d 1 . .
    C C3 0.4903(2) 0.4931(2) 0.26421(16) 0.0172(8) Uani d 1 . .
    C C4 0.4410(2) 0.4353(2) 0.25557(16) 0.0191(9) Uani d 1 . .
    H H39 0.393835 0.436272 0.272144 0.023 Uiso calc 1 . .
    C C5 0.45769(19) 0.3767(2) 0.22396(15) 0.0131(7) Uani d 1 . .
    C C6 0.5265(2) 0.3743(2) 0.19787(15) 0.0132(7) Uani d 1 . .
    C C7 0.5742(2) 0.4329(2) 0.20481(15) 0.0136(8) Uani d 1 . .
    H H40 0.619842 0.433335 0.186359 0.016 Uiso calc 1 . .
    C C8 0.4663(3) 0.5534(3) 0.3002(2) 0.0411(14) Uani d 1 . .
    H H41 0.414272 0.545655 0.310269 0.062 Uiso calc 1 . .
    H H42 0.470297 0.599470 0.281692 0.062 Uiso calc 1 . .
    H H43 0.498792 0.554026 0.332047 0.062 Uiso calc 1 . .
    C C9 0.5499(2) 0.3136(2) 0.16181(17) 0.0227(9) Uani d 1 . .
    H H44 0.593852 0.328527 0.142104 0.034 Uiso calc 1 . .
    H H45 0.508633 0.302173 0.136953 0.034 Uiso calc 1 . .
    H H46 0.562462 0.270994 0.183057 0.034 Uiso calc 1 . .
    O O4 0.42034(13) 0.25573(14) 0.20743(11) 0.0156(5) Uani d 1 . .
    C C10 0.3989(2) 0.3181(2) 0.21972(14) 0.0130(7) Uani d 1 . .
    O O5 0.33259(13) 0.33477(14) 0.23001(11) 0.0158(6) Uani d 1 . .
    O O6 0.69154(14) 0.68903(14) 0.37151(10) 0.0156(6) Uani d 1 . .
    C C11 0.7537(2) 0.70385(19) 0.39331(14) 0.0113(7) Uani d 1 . .
    O O7 0.81628(14) 0.70118(15) 0.37056(10) 0.0165(6) Uani d 1 . .
    C C12 0.7559(2) 0.7260(2) 0.45050(14) 0.0142(8) Uani d 1 . .
    C C13 0.8237(2) 0.7172(2) 0.47887(15) 0.0173(8) Uani d 1 . .
    H H47 0.864989 0.696732 0.461365 0.021 Uiso calc 1 . .
    C C14 0.8331(2) 0.7372(2) 0.53142(15) 0.0198(9) Uani d 1 . .
    C C15 0.7720(2) 0.7698(2) 0.55561(15) 0.0163(8) Uani d 1 . .
    C C16 0.7062(2) 0.7807(2) 0.52743(16) 0.0208(9) Uani d 1 . .
    H H48 0.666266 0.804417 0.544440 0.025 Uiso calc 1 . .
    C C17 0.6950(2) 0.7589(2) 0.47521(15) 0.0195(9) Uani d 1 . .
    C C18 0.6197(2) 0.7731(3) 0.44856(18) 0.0368(13) Uani d 1 . .
    H H49 0.588479 0.801254 0.472257 0.055 Uiso calc 1 . .
    H H50 0.594878 0.727227 0.440364 0.055 Uiso calc 1 . .
    H H51 0.626776 0.800058 0.415783 0.055 Uiso calc 1 . .
    C C19 0.9088(2) 0.7254(3) 0.55857(17) 0.0328(11) Uani d 1 . .
    H H52 0.907841 0.680500 0.578869 0.049 Uiso calc 1 . .
    H H53 0.919924 0.765718 0.582462 0.049 Uiso calc 1 . .
    H H54 0.947495 0.722332 0.531913 0.049 Uiso calc 1 . .
    C C20 0.77595(19) 0.7935(2) 0.61308(14) 0.0143(8) Uani d 1 . .
    O O8 0.74955(15) 0.85483(14) 0.62340(10) 0.0154(6) Uani d 1 . .
    O O9 0.80237(14) 0.75048(15) 0.64700(10) 0.0163(6) Uani d 1 . .
    O O10 0.82967(13) 0.84375(13) 0.23941(10) 0.0127(5) Uani d 1 . .
    C C21 0.89052(19) 0.83015(19) 0.26232(14) 0.0108(7) Uani d 1 . .
    O O11 0.90789(14) 0.77170(14) 0.28458(11) 0.0160(6) Uani d 1 . .
    C C22 0.94907(19) 0.88921(19) 0.26278(15) 0.0127(7) Uani d 1 . .
    C C23 0.93687(19) 0.9466(2) 0.22813(15) 0.0135(8) Uani d 1 . .
    H H55 0.892151 0.946577 0.206937 0.016 Uiso calc 1 . .
    C C24 0.9859(2) 1.0037(2) 0.22272(15) 0.0138(8) Uani d 1 . .
    C C25 1.0512(2) 1.00305(19) 0.25513(14) 0.0124(7) Uani d 1 . .
    C C26 1.0625(2) 0.9470(2) 0.29099(16) 0.0185(8) Uani d 1 . .
    H H56 1.106037 0.948339 0.313375 0.022 Uiso calc 1 . .
    C C27 1.0133(2) 0.8889(2) 0.29589(16) 0.0178(8) Uani d 1 . .
    C C28 0.9648(2) 1.0624(2) 0.18331(18) 0.0278(10) Uani d 1 . .
    H H57 0.915633 1.051657 0.167022 0.042 Uiso calc 1 . .
    H H58 1.002403 1.064671 0.155850 0.042 Uiso calc 1 . .
    H H59 0.962663 1.108813 0.201632 0.042 Uiso calc 1 . .
    C C29 1.0321(3) 0.8319(3) 0.3367(2) 0.0369(13) Uani d 1 . .
    H H60 1.044273 0.786763 0.318878 0.055 Uiso calc 1 . .
    H H61 0.988971 0.824429 0.359252 0.055 Uiso calc 1 . .
    H H62 1.075261 0.847633 0.358497 0.055 Uiso calc 1 . .
    O O12 1.10518(14) 1.10574(14) 0.21639(10) 0.0156(6) Uani d 1 . .
    C C30 1.11001(18) 1.06096(19) 0.25360(14) 0.0106(7) Uani d 1 . .
    O O13 1.16027(14) 1.06050(14) 0.28960(10) 0.0156(6) Uani d 1 . .
    O O14 0.71142(14) 0.87651(15) 0.16365(11) 0.0200(6) Uani d 1 . .
    C C31 0.7600(2) 0.9021(2) 0.13546(16) 0.0222(9) Uani d 1 . .
    H H63 0.810219 0.886839 0.141723 0.027 Uiso calc 1 . .
    N N1 0.7472(2) 0.9490(2) 0.09730(15) 0.0356(10) Uani d 1 . .
    C C32 0.8084(4) 0.9761(4) 0.0651(2) 0.0625(19) Uani d 1 . .
    H H64 0.856108 0.955917 0.078240 0.094 Uiso calc 1 . .
    H H65 0.810261 1.028678 0.067410 0.094 Uiso calc 1 . .
    H H66 0.799721 0.961652 0.028197 0.094 Uiso calc 1 . .
    C C33 0.6723(3) 0.9739(3) 0.0852(3) 0.0606(18) Uani d 1 . .
    H H67 0.654085 0.951783 0.052093 0.091 Uiso calc 1 . .
    H H68 0.672625 1.026333 0.081284 0.091 Uiso calc 1 . .
    H H69 0.639304 0.960394 0.113882 0.091 Uiso calc 1 . .
    C C34 0.5928(2) 0.7645(3) 0.14705(19) 0.0346(12) Uani d 1 . .
    H H70 0.603446 0.810790 0.133253 0.052 Uiso calc 0.745(8) A 1
    H H71 0.612266 0.784740 0.115785 0.052 Uiso calc 0.255(8) A 2
    N N2A 0.5309(3) 0.7319(4) 0.1297(3) 0.0447(18) Uani d 0.745(8) A 1
    N N2B 0.5146(12) 0.7656(14) 0.1530(10) 0.057(3) Uani d 0.255(8) A 2
    O O15 0.63663(14) 0.73940(14) 0.17902(11) 0.0183(6) Uani d 1 . .
    C C35A 0.4848(4) 0.7595(5) 0.0867(3) 0.057(2) Uani d 0.745(8) A 1
    H H72 0.442025 0.727294 0.080454 0.085 Uiso calc 0.745(8) A 1
    H H73 0.466710 0.807582 0.095773 0.085 Uiso calc 0.745(8) A 1
    H H74 0.514462 0.762228 0.054745 0.085 Uiso calc 0.745(8) A 1
    C C35B 0.4576(13) 0.8128(14) 0.1324(11) 0.060(4) Uani d 0.255(8) A 2
    H H75 0.408698 0.797285 0.144867 0.090 Uiso calc 0.255(8) A 2
    H H76 0.467833 0.862000 0.144522 0.090 Uiso calc 0.255(8) A 2
    H H77 0.457375 0.811414 0.093672 0.090 Uiso calc 0.255(8) A 2
    C C36 0.4981(4) 0.6781(5) 0.1634(4) 0.100(2) Uani d 1 . .
    H H78 0.452872 0.658497 0.145983 0.150 Uiso calc 0.745(8) A 1
    H H79 0.534284 0.639259 0.169927 0.150 Uiso calc 0.745(8) A 1
    H H80 0.484934 0.700149 0.197108 0.150 Uiso calc 0.745(8) A 1
    H H81 0.444388 0.670683 0.168357 0.150 Uiso calc 0.255(8) A 2
    H H82 0.514127 0.650231 0.132835 0.150 Uiso calc 0.255(8) A 2
    H H83 0.526133 0.662223 0.195115 0.150 Uiso calc 0.255(8) A 2
    O O16 0.24938(12) 0.74791(12) 0.01387(9) 0.0083(5) Uani d 1 . .
    Zn Zn5 0.24390(2) 0.66382(2) 0.06287(2) 0.01125(9) Uani d 1 . .
    Zn Zn6 0.15880(2) 0.74767(2) -0.02957(2) 0.01027(9) Uani d 1 . .
    Zn Zn7 0.25138(2) 0.83523(2) 0.05389(2) 0.00887(9) Uani d 1 . .
    Zn Zn8 0.33704(2) 0.74856(2) -0.02806(2) 0.00890(9) Uani d 1 . .
    O O17 0.33585(15) 0.60670(15) 0.03966(11) 0.0222(6) Uani d 1 . .
    C C37 0.3876(2) 0.6116(2) 0.00808(16) 0.0181(8) Uani d 1 . .
    O O18 0.39698(16) 0.66344(16) -0.02418(13) 0.0297(7) Uani d 1 . .
    C C38 0.4449(2) 0.5521(2) 0.00557(17) 0.0217(9) Uani d 1 . .
    C C39 0.4881(2) 0.5495(2) -0.03949(19) 0.0286(10) Uani d 1 . .
    H H31 0.479481 0.584429 -0.066419 0.034 Uiso calc 1 . .
    C C40 0.4563(2) 0.5023(2) 0.04666(19) 0.0283(10) Uani d 1 . .
    C C41 0.4128(3) 0.4992(3) 0.0972(2) 0.0478(16) Uani d 1 . .
    H H1 0.364155 0.476311 0.090112 0.072 Uiso calc 1 . .
    H H2 0.405138 0.548123 0.110459 0.072 Uiso calc 1 . .
    H H3 0.441109 0.471135 0.123782 0.072 Uiso calc 1 . .
    O O19 0.17434(15) 0.60462(15) 0.00584(13) 0.0254(7) Uani d 1 . .
    C C42 0.1072(2) 0.6154(2) -0.00806(16) 0.0208(9) Uani d 1 . .
    O O20 0.08075(15) 0.67533(15) -0.02315(12) 0.0244(7) Uani d 1 . .
    C C43 0.0529(2) 0.5541(2) -0.00562(17) 0.0222(9) Uani d 1 . .
    C C44 -0.0169(2) 0.5684(2) 0.01477(19) 0.0299(11) Uani d 1 . .
    H H32 -0.028352 0.616534 0.024282 0.036 Uiso calc 1 . .
    C C45 -0.0709(2) 0.5156(2) 0.0219(2) 0.0299(11) Uani d 1 . .
    C C46 -0.1427(3) 0.5350(3) 0.0501(2) 0.0460(15) Uani d 1 . .
    H H4 -0.132054 0.572925 0.076151 0.069 Uiso calc 1 . .
    H H5 -0.161773 0.492308 0.068112 0.069 Uiso calc 1 . .
    H H6 -0.180301 0.552125 0.024179 0.069 Uiso calc 1 . .
    O O21 0.10617(17) 0.83972(16) -0.02433(13) 0.0318(8) Uani d 1 . .
    O O22 0.16034(16) 0.89177(16) 0.04551(12) 0.0283(7) Uani d 1 . .
    C C47 0.1111(2) 0.8881(2) 0.00957(15) 0.0145(8) Uani d 1 . .
    C C48 0.0543(2) 0.9477(2) 0.00687(15) 0.0149(8) Uani d 1 . .
    C C49 0.0587(2) 1.0089(2) 0.03908(16) 0.0169(8) Uani d 1 . .
    C C50 0.0035(2) 1.0602(2) 0.03106(15) 0.0157(8) Uani d 1 . .
    H H33 0.004853 1.102442 0.052166 0.019 Uiso calc 1 . .
    C C51 0.1189(2) 1.0235(2) 0.08125(17) 0.0241(9) Uani d 1 . .
    H H7 0.111549 1.071585 0.096153 0.036 Uiso calc 1 . .
    H H8 0.168382 1.020894 0.065461 0.036 Uiso calc 1 . .
    H H9 0.115650 0.987423 0.109349 0.036 Uiso calc 1 . .
    C C52 0.3891(2) 0.8880(2) 0.00708(14) 0.0135(8) Uani d 1 . .
    O O23 0.32577(16) 0.90266(15) 0.02487(13) 0.0278(7) Uani d 1 . .
    O O24 0.40699(15) 0.82778(15) -0.01117(12) 0.0239(7) Uani d 1 . .
    C C53 0.4456(2) 0.9469(2) 0.00561(15) 0.0140(8) Uani d 1 . .
    C C54 0.4414(2) 1.0086(2) 0.03722(15) 0.0164(8) Uani d 1 . .
    C C55 0.5030(2) 0.9398(2) -0.03057(16) 0.0167(8) Uani d 1 . .
    H H34 0.504119 0.897645 -0.051739 0.020 Uiso calc 1 . .
    C C56 0.3824(2) 1.0225(2) 0.07791(18) 0.0293(10) Uani d 1 . .
    H H10 0.397652 1.063502 0.100055 0.044 Uiso calc 1 . .
    H H11 0.376920 0.979710 0.100115 0.044 Uiso calc 1 . .
    H H12 0.334462 1.033278 0.059882 0.044 Uiso calc 1 . .
    O O25 0.26939(18) 0.83281(16) 0.12854(11) 0.0268(7) Uani d 1 . .
    C C57 0.2810(2) 0.7723(2) 0.15021(15) 0.0186(8) Uani d 1 . .
    O O26 0.30100(15) 0.71699(15) 0.12622(10) 0.0200(6) Uani d 1 . .
    C C58 0.2701(2) 0.7689(2) 0.20913(15) 0.0180(8) Uani d 1 . .
    C C59 0.2562(2) 0.8305(2) 0.23991(15) 0.0175(8) Uani d 1 . .
    C C60 0.2463(2) 0.8185(2) 0.29386(16) 0.0193(8) Uani d 1 . .
    H H35 0.235926 0.858505 0.315872 0.023 Uiso calc 1 . .
    C C61 0.2508(2) 0.7510(2) 0.31650(15) 0.0187(8) Uani d 1 . .
    C C62 0.2630(2) 0.6901(2) 0.28556(16) 0.0228(9) Uani d 1 . .
    C C63 0.2721(2) 0.7009(2) 0.23201(16) 0.0212(9) Uani d 1 . .
    H H36 0.280086 0.660291 0.210042 0.025 Uiso calc 1 . .
    C C64 0.2507(3) 0.9066(2) 0.21963(17) 0.0270(10) Uani d 1 . .
    H H13 0.247350 0.939822 0.249533 0.040 Uiso calc 1 . .
    H H14 0.205947 0.911450 0.196674 0.040 Uiso calc 1 . .
    H H15 0.295350 0.917916 0.199477 0.040 Uiso calc 1 . .
    C C65 0.2646(3) 0.6157(3) 0.30981(18) 0.0376(12) Uani d 1 . .
    H H16 0.273858 0.579924 0.282274 0.056 Uiso calc 1 . .
    H H17 0.216261 0.605735 0.325824 0.056 Uiso calc 1 . .
    H H18 0.304561 0.613179 0.337019 0.056 Uiso calc 1 . .
    O O27 0.18616(16) 0.7598(2) 0.39560(11) 0.0365(9) Uani d 1 . .
    C C66 0.2466(2) 0.7456(2) 0.37518(15) 0.0172(8) Uani d 1 . .
    O O28 0.30596(16) 0.72682(19) 0.39933(11) 0.0322(8) Uani d 1 . .
    O O29 0.14471(15) 0.71927(15) 0.09210(11) 0.0207(6) Uani d 1 . .
    C C67 0.0970(2) 0.6923(2) 0.12020(18) 0.0254(10) Uani d 1 . .
    H H37 0.089692 0.641712 0.117972 0.030 Uiso calc 1 . .
    N N3 0.0552(2) 0.7286(2) 0.15323(15) 0.0321(9) Uani d 1 . .
    C C68 0.0640(3) 0.8063(3) 0.1599(2) 0.0457(14) Uani d 1 . .
    H H19 0.100483 0.824196 0.134752 0.069 Uiso calc 1 . .
    H H20 0.081818 0.816648 0.196021 0.069 Uiso calc 1 . .
    H H21 0.015660 0.830018 0.153245 0.069 Uiso calc 1 . .
    C C69 -0.0001(3) 0.6922(4) 0.1852(2) 0.0600(19) Uani d 1 . .
    H H22 -0.000632 0.640766 0.176750 0.090 Uiso calc 1 . .
    H H23 -0.049827 0.712734 0.177608 0.090 Uiso calc 1 . .
    H H24 0.012930 0.698768 0.222768 0.090 Uiso calc 1 . .
    O O30 0.22187(16) 0.58336(14) 0.11552(12) 0.0248(7) Uani d 1 . .
    C C70 0.2147(2) 0.5192(2) 0.10222(18) 0.0264(10) Uani d 1 . .
    H H38 0.205789 0.508132 0.065951 0.032 Uiso calc 1 . .
    N N4 0.2191(2) 0.46582(19) 0.13698(16) 0.0287(9) Uani d 1 . .
    C C71 0.2095(3) 0.3913(3) 0.1203(2) 0.0484(15) Uani d 1 . .
    H H25 0.198825 0.389612 0.082138 0.073 Uiso calc 1 . .
    H H26 0.167615 0.369761 0.139035 0.073 Uiso calc 1 . .
    H H27 0.255444 0.364268 0.128565 0.073 Uiso calc 1 . .
    C C72 0.2363(3) 0.4816(3) 0.1922(2) 0.0411(13) Uani d 1 . .
    H H28 0.279217 0.514451 0.194729 0.062 Uiso calc 1 . .
    H H29 0.248663 0.436775 0.210961 0.062 Uiso calc 1 . .
    H H30 0.192814 0.504119 0.208249 0.062 Uiso calc 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    O1 Zn2 . 1.916(2) ?
    O1 Zn3 . 1.930(2) ?
    O1 Zn1 . 1.936(2) ?
    O1 Zn4 . 2.006(2) ?
    Zn1 O2 . 1.961(2) ?
    Zn1 O8 4_575 1.962(2) ?
    Zn1 O13 2_745 1.989(2) ?
    Zn2 O11 . 1.953(2) ?
    Zn2 O12 2_745 1.958(2) ?
    Zn2 O7 . 1.960(2) ?
    Zn2 Zn3 . 3.1424(5) ?
    Zn3 O4 2_655 1.960(2) ?
    Zn3 O3 . 1.963(2) ?
    Zn3 O6 . 1.989(3) ?
    Zn4 O10 . 2.055(2) ?
    Zn4 O14 . 2.089(3) ?
    Zn4 O5 2_655 2.100(3) ?
    Zn4 O15 . 2.156(2) ?
    Zn4 O9 4_575 2.195(3) ?
    O2 C1 . 1.271(4) ?
    C1 O3 . 1.253(4) ?
    C1 C2 . 1.505(5) ?
    C2 C7 . 1.390(5) ?
    C2 C3 . 1.410(5) ?
    C3 C4 . 1.403(5) ?
    C3 C8 . 1.512(5) ?
    C4 C5 . 1.388(5) ?
    C4 H39 . 0.9500 ?
    C5 C6 . 1.411(5) ?
    C5 C10 . 1.513(5) ?
    C6 C7 . 1.391(5) ?
    C6 C9 . 1.515(5) ?
    C7 H40 . 0.9500 ?
    C8 H41 . 0.9800 ?
    C8 H42 . 0.9800 ?
    C8 H43 . 0.9800 ?
    C9 H44 . 0.9800 ?
    C9 H45 . 0.9800 ?
    C9 H46 . 0.9800 ?
    O4 C10 . 1.262(4) ?
    C10 O5 . 1.258(4) ?
    O6 C11 . 1.256(4) ?
    C11 O7 . 1.271(4) ?
    C11 C12 . 1.504(5) ?
    C12 C13 . 1.400(5) ?
    C12 C17 . 1.408(5) ?
    C13 C14 . 1.386(5) ?
    C13 H47 . 0.9500 ?
    C14 C15 . 1.403(5) ?
    C14 C19 . 1.516(6) ?
    C15 C16 . 1.373(5) ?
    C15 C20 . 1.519(5) ?
    C16 C17 . 1.392(5) ?
    C16 H48 . 0.9500 ?
    C17 C18 . 1.511(5) ?
    C18 H49 . 0.9800 ?
    C18 H50 . 0.9800 ?
    C18 H51 . 0.9800 ?
    C19 H52 . 0.9800 ?
    C19 H53 . 0.9800 ?
    C19 H54 . 0.9800 ?
    C20 O9 . 1.256(5) ?
    C20 O8 . 1.263(5) ?
    O10 C21 . 1.244(4) ?
    C21 O11 . 1.259(4) ?
    C21 C22 . 1.515(5) ?
    C22 C23 . 1.394(5) ?
    C22 C27 . 1.402(5) ?
    C23 C24 . 1.384(5) ?
    C23 H55 . 0.9500 ?
    C24 C25 . 1.408(5) ?
    C24 C28 . 1.519(5) ?
    C25 C26 . 1.392(5) ?
    C25 C30 . 1.505(5) ?
    C26 C27 . 1.400(5) ?
    C26 H56 . 0.9500 ?
    C27 C29 . 1.511(6) ?
    C28 H57 . 0.9800 ?
    C28 H58 . 0.9800 ?
    C28 H59 . 0.9800 ?
    C29 H60 . 0.9800 ?
    C29 H61 . 0.9800 ?
    C29 H62 . 0.9800 ?
    O12 C30 . 1.258(4) ?
    C30 O13 . 1.262(4) ?
    O14 C31 . 1.232(5) ?
    C31 N1 . 1.316(5) ?
    C31 H63 . 0.9500 ?
    N1 C33 . 1.441(7) ?
    N1 C32 . 1.468(6) ?
    C32 H64 . 0.9800 ?
    C32 H65 . 0.9800 ?
    C32 H66 . 0.9800 ?
    C33 H67 . 0.9800 ?
    C33 H68 . 0.9800 ?
    C33 H69 . 0.9800 ?
    C34 O15 . 1.204(5) ?
    C34 N2A . 1.325(7) ?
    C34 N2B . 1.41(2) ?
    C34 H70 . 0.9500 ?
    C34 H71 . 0.9500 ?
    N2A C35A . 1.440(8) ?
    N2A C36 . 1.447(9) ?
    N2B C35B . 1.43(3) ?
    N2B C36 . 1.67(2) ?
    C35A H72 . 0.9800 ?
    C35A H73 . 0.9800 ?
    C35A H74 . 0.9800 ?
    C35B H75 . 0.9800 ?
    C35B H76 . 0.9800 ?
    C35B H77 . 0.9800 ?
    C36 H78 . 0.9800 ?
    C36 H79 . 0.9800 ?
    C36 H80 . 0.9800 ?
    C36 H81 . 0.9800 ?
    C36 H82 . 0.9800 ?
    C36 H83 . 0.9800 ?
    O16 Zn7 . 1.912(2) ?
    O16 Zn8 . 1.914(2) ?
    O16 Zn6 . 1.931(2) ?
    O16 Zn5 . 1.999(2) ?
    Zn5 O30 . 2.047(3) ?
    Zn5 O17 . 2.053(3) ?
    Zn5 O26 . 2.121(3) ?
    Zn5 O19 . 2.177(3) ?
    Zn5 O29 . 2.194(3) ?
    Zn6 O20 . 1.946(3) ?
    Zn6 O21 . 1.958(3) ?
    Zn6 O27 4_575 1.973(3) ?
    Zn6 Zn7 . 3.1073(6) ?
    Zn7 O25 . 1.908(3) ?
    Zn7 O22 . 1.942(3) ?
    Zn7 O23 . 1.981(3) ?
    Zn7 Zn8 . 3.0656(6) ?
    Zn8 O18 . 1.911(3) ?
    Zn8 O28 4_575 1.959(3) ?
    Zn8 O24 . 1.970(3) ?
    O17 C37 . 1.240(4) ?
    C37 O18 . 1.277(5) ?
    C37 C38 . 1.508(5) ?
    C38 C39 . 1.395(6) ?
    C38 C40 . 1.404(6) ?
    C39 C40 3_665 1.397(6) ?
    C39 H31 . 0.9500 ?
    C40 C41 . 1.515(6) ?
    C41 H1 . 0.9800 ?
    C41 H2 . 0.9800 ?
    C41 H3 . 0.9800 ?
    O19 C42 . 1.256(5) ?
    C42 O20 . 1.265(5) ?
    C42 C43 . 1.498(5) ?
    C43 C44 . 1.386(6) ?
    C43 C45 3_565 1.399(6) ?
    C44 C45 . 1.390(6) ?
    C44 H32 . 0.9500 ?
    C45 C46 . 1.526(6) ?
    C46 H4 . 0.9800 ?
    C46 H5 . 0.9800 ?
    C46 H6 . 0.9800 ?
    O21 C47 . 1.243(5) ?
    O22 C47 . 1.250(5) ?
    C47 C48 . 1.503(5) ?
    C48 C50 3_575 1.399(5) ?
    C48 C49 . 1.400(5) ?
    C49 C50 . 1.382(5) ?
    C49 C51 . 1.518(5) ?
    C50 H33 . 0.9500 ?
    C51 H7 . 0.9800 ?
    C51 H8 . 0.9800 ?
    C51 H9 . 0.9800 ?
    C52 O24 . 1.254(5) ?
    C52 O23 . 1.258(5) ?
    C52 C53 . 1.490(5) ?
    C53 C55 . 1.398(5) ?
    C53 C54 . 1.401(5) ?
    C54 C55 3_675 1.392(5) ?
    C54 C56 . 1.515(5) ?
    C55 H34 . 0.9500 ?
    C56 H10 . 0.9800 ?
    C56 H11 . 0.9800 ?
    C56 H12 . 0.9800 ?
    O25 C57 . 1.266(5) ?
    C57 O26 . 1.250(5) ?
    C57 C58 . 1.510(5) ?
    C58 C63 . 1.391(6) ?
    C58 C59 . 1.410(6) ?
    C59 C60 . 1.399(5) ?
    C59 C64 . 1.505(6) ?
    C60 C61 . 1.380(6) ?
    C60 H35 . 0.9500 ?
    C61 C62 . 1.396(6) ?
    C61 C66 . 1.492(5) ?
    C62 C63 . 1.384(6) ?
    C62 C65 . 1.513(6) ?
    C63 H36 . 0.9500 ?
    C64 H13 . 0.9800 ?
    C64 H14 . 0.9800 ?
    C64 H15 . 0.9800 ?
    C65 H16 . 0.9800 ?
    C65 H17 . 0.9800 ?
    C65 H18 . 0.9800 ?
    O27 C66 . 1.237(5) ?
    C66 O28 . 1.258(5) ?
    O29 C67 . 1.231(5) ?
    C67 N3 . 1.321(5) ?
    C67 H37 . 0.9500 ?
    N3 C69 . 1.459(6) ?
    N3 C68 . 1.461(7) ?
    C68 H19 . 0.9800 ?
    C68 H20 . 0.9800 ?
    C68 H21 . 0.9800 ?
    C69 H22 . 0.9800 ?
    C69 H23 . 0.9800 ?
    C69 H24 . 0.9800 ?
    O30 C70 . 1.244(5) ?
    C70 N4 . 1.327(5) ?
    C70 H38 . 0.9500 ?
    N4 C72 . 1.453(6) ?
    N4 C71 . 1.457(6) ?
    C71 H25 . 0.9800 ?
    C71 H26 . 0.9800 ?
    C71 H27 . 0.9800 ?
    C72 H28 . 0.9800 ?
    C72 H29 . 0.9800 ?
    C72 H30 . 0.9800 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    Zn2 O1 Zn3 . . 109.58(11) ?
    Zn2 O1 Zn1 . . 111.24(11) ?
    Zn3 O1 Zn1 . . 110.35(11) ?
    Zn2 O1 Zn4 . . 111.36(11) ?
    Zn3 O1 Zn4 . . 107.30(10) ?
    Zn1 O1 Zn4 . . 106.91(11) ?
    O1 Zn1 O2 . . 111.38(10) ?
    O1 Zn1 O8 . 4_575 120.00(10) ?
    O2 Zn1 O8 . 4_575 106.35(11) ?
    O1 Zn1 O13 . 2_745 108.66(10) ?
    O2 Zn1 O13 . 2_745 105.02(11) ?
    O8 Zn1 O13 4_575 2_745 104.26(11) ?
    O1 Zn2 O11 . . 116.55(10) ?
    O1 Zn2 O12 . 2_745 111.49(10) ?
    O11 Zn2 O12 . 2_745 104.50(11) ?
    O1 Zn2 O7 . . 112.57(10) ?
    O11 Zn2 O7 . . 102.48(12) ?
    O12 Zn2 O7 2_745 . 108.47(11) ?
    O1 Zn2 Zn3 . . 35.35(7) ?
    O11 Zn2 Zn3 . . 133.81(8) ?
    O12 Zn2 Zn3 2_745 . 119.38(8) ?
    O7 Zn2 Zn3 . . 77.82(7) ?
    O1 Zn3 O4 . 2_655 120.84(10) ?
    O1 Zn3 O3 . . 109.79(10) ?
    O4 Zn3 O3 2_655 . 105.24(11) ?
    O1 Zn3 O6 . . 110.45(10) ?
    O4 Zn3 O6 2_655 . 101.17(11) ?
    O3 Zn3 O6 . . 108.57(11) ?
    O1 Zn3 Zn2 . . 35.07(7) ?
    O4 Zn3 Zn2 2_655 . 134.73(8) ?
    O3 Zn3 Zn2 . . 118.73(8) ?
    O6 Zn3 Zn2 . . 75.66(7) ?
    O1 Zn4 O10 . . 101.64(9) ?
    O1 Zn4 O14 . . 169.85(10) ?
    O10 Zn4 O14 . . 88.00(10) ?
    O1 Zn4 O5 . 2_655 93.89(10) ?
    O10 Zn4 O5 . 2_655 93.32(10) ?
    O14 Zn4 O5 . 2_655 88.65(11) ?
    O1 Zn4 O15 . . 83.88(10) ?
    O10 Zn4 O15 . . 174.33(10) ?
    O14 Zn4 O15 . . 86.42(10) ?
    O5 Zn4 O15 2_655 . 87.55(10) ?
    O1 Zn4 O9 . 4_575 91.91(10) ?
    O10 Zn4 O9 . 4_575 87.90(10) ?
    O14 Zn4 O9 . 4_575 85.22(11) ?
    O5 Zn4 O9 2_655 4_575 173.71(10) ?
    O15 Zn4 O9 . 4_575 90.64(10) ?
    C1 O2 Zn1 . . 129.6(2) ?
    O3 C1 O2 . . 125.6(3) ?
    O3 C1 C2 . . 118.1(3) ?
    O2 C1 C2 . . 116.3(3) ?
    C1 O3 Zn3 . . 130.9(2) ?
    C7 C2 C3 . . 119.8(3) ?
    C7 C2 C1 . . 118.1(3) ?
    C3 C2 C1 . . 122.0(3) ?
    C4 C3 C2 . . 116.7(3) ?
    C4 C3 C8 . . 118.3(3) ?
    C2 C3 C8 . . 124.9(3) ?
    C5 C4 C3 . . 123.2(3) ?
    C5 C4 H39 . . 118.4 ?
    C3 C4 H39 . . 118.4 ?
    C4 C5 C6 . . 119.8(3) ?
    C4 C5 C10 . . 116.5(3) ?
    C6 C5 C10 . . 123.7(3) ?
    C7 C6 C5 . . 117.0(3) ?
    C7 C6 C9 . . 118.8(3) ?
    C5 C6 C9 . . 124.2(3) ?
    C6 C7 C2 . . 123.4(3) ?
    C6 C7 H40 . . 118.3 ?
    C2 C7 H40 . . 118.3 ?
    C3 C8 H41 . . 109.5 ?
    C3 C8 H42 . . 109.5 ?
    H41 C8 H42 . . 109.5 ?
    C3 C8 H43 . . 109.5 ?
    H41 C8 H43 . . 109.5 ?
    H42 C8 H43 . . 109.5 ?
    C6 C9 H44 . . 109.5 ?
    C6 C9 H45 . . 109.5 ?
    H44 C9 H45 . . 109.5 ?
    C6 C9 H46 . . 109.5 ?
    H44 C9 H46 . . 109.5 ?
    H45 C9 H46 . . 109.5 ?
    C10 O4 Zn3 . 2_645 113.5(2) ?
    O5 C10 O4 . . 124.7(3) ?
    O5 C10 C5 . . 117.6(3) ?
    O4 C10 C5 . . 117.7(3) ?
    C10 O5 Zn4 . 2_645 127.8(2) ?
    C11 O6 Zn3 . . 130.6(2) ?
    O6 C11 O7 . . 124.7(3) ?
    O6 C11 C12 . . 118.9(3) ?
    O7 C11 C12 . . 116.4(3) ?
    C11 O7 Zn2 . . 129.2(2) ?
    C13 C12 C17 . . 119.4(3) ?
    C13 C12 C11 . . 117.5(3) ?
    C17 C12 C11 . . 123.0(3) ?
    C14 C13 C12 . . 122.8(4) ?
    C14 C13 H47 . . 118.6 ?
    C12 C13 H47 . . 118.6 ?
    C13 C14 C15 . . 117.3(4) ?
    C13 C14 C19 . . 118.7(4) ?
    C15 C14 C19 . . 124.0(4) ?
    C16 C15 C14 . . 120.1(4) ?
    C16 C15 C20 . . 118.2(3) ?
    C14 C15 C20 . . 121.7(3) ?
    C15 C16 C17 . . 123.3(4) ?
    C15 C16 H48 . . 118.3 ?
    C17 C16 H48 . . 118.3 ?
    C16 C17 C12 . . 117.0(3) ?
    C16 C17 C18 . . 118.5(4) ?
    C12 C17 C18 . . 124.5(4) ?
    C17 C18 H49 . . 109.5 ?
    C17 C18 H50 . . 109.5 ?
    H49 C18 H50 . . 109.5 ?
    C17 C18 H51 . . 109.5 ?
    H49 C18 H51 . . 109.5 ?
    H50 C18 H51 . . 109.5 ?
    C14 C19 H52 . . 109.5 ?
    C14 C19 H53 . . 109.5 ?
    H52 C19 H53 . . 109.5 ?
    C14 C19 H54 . . 109.5 ?
    H52 C19 H54 . . 109.5 ?
    H53 C19 H54 . . 109.5 ?
    O9 C20 O8 . . 124.6(3) ?
    O9 C20 C15 . . 118.5(3) ?
    O8 C20 C15 . . 116.8(3) ?
    C20 O8 Zn1 . 4_576 115.5(2) ?
    C20 O9 Zn4 . 4_576 122.0(2) ?
    C21 O10 Zn4 . . 138.1(2) ?
    O10 C21 O11 . . 125.9(3) ?
    O10 C21 C22 . . 116.8(3) ?
    O11 C21 C22 . . 117.4(3) ?
    C21 O11 Zn2 . . 123.3(2) ?
    C23 C22 C27 . . 119.4(3) ?
    C23 C22 C21 . . 116.9(3) ?
    C27 C22 C21 . . 123.7(3) ?
    C24 C23 C22 . . 124.0(3) ?
    C24 C23 H55 . . 118.0 ?
    C22 C23 H55 . . 118.0 ?
    C23 C24 C25 . . 116.9(3) ?
    C23 C24 C28 . . 118.0(3) ?
    C25 C24 C28 . . 125.2(3) ?
    C26 C25 C24 . . 119.3(3) ?
    C26 C25 C30 . . 117.5(3) ?
    C24 C25 C30 . . 123.2(3) ?
    C25 C26 C27 . . 123.6(3) ?
    C25 C26 H56 . . 118.2 ?
    C27 C26 H56 . . 118.2 ?
    C26 C27 C22 . . 116.7(3) ?
    C26 C27 C29 . . 118.2(3) ?
    C22 C27 C29 . . 125.1(3) ?
    C24 C28 H57 . . 109.5 ?
    C24 C28 H58 . . 109.5 ?
    H57 C28 H58 . . 109.5 ?
    C24 C28 H59 . . 109.5 ?
    H57 C28 H59 . . 109.5 ?
    H58 C28 H59 . . 109.5 ?
    C27 C29 H60 . . 109.5 ?
    C27 C29 H61 . . 109.5 ?
    H60 C29 H61 . . 109.5 ?
    C27 C29 H62 . . 109.5 ?
    H60 C29 H62 . . 109.5 ?
    H61 C29 H62 . . 109.5 ?
    C30 O12 Zn2 . 2_755 129.4(2) ?
    O12 C30 O13 . . 125.3(3) ?
    O12 C30 C25 . . 117.3(3) ?
    O13 C30 C25 . . 117.4(3) ?
    C30 O13 Zn1 . 2_755 132.1(2) ?
    C31 O14 Zn4 . . 120.3(3) ?
    O14 C31 N1 . . 124.7(4) ?
    O14 C31 H63 . . 117.6 ?
    N1 C31 H63 . . 117.6 ?
    C31 N1 C33 . . 120.7(4) ?
    C31 N1 C32 . . 121.1(4) ?
    C33 N1 C32 . . 118.1(4) ?
    N1 C32 H64 . . 109.5 ?
    N1 C32 H65 . . 109.5 ?
    H64 C32 H65 . . 109.5 ?
    N1 C32 H66 . . 109.5 ?
    H64 C32 H66 . . 109.5 ?
    H65 C32 H66 . . 109.5 ?
    N1 C33 H67 . . 109.5 ?
    N1 C33 H68 . . 109.5 ?
    H67 C33 H68 . . 109.5 ?
    N1 C33 H69 . . 109.5 ?
    H67 C33 H69 . . 109.5 ?
    H68 C33 H69 . . 109.5 ?
    O15 C34 N2A . . 124.6(5) ?
    O15 C34 N2B . . 124.2(10) ?
    O15 C34 H70 . . 117.7 ?
    N2A C34 H70 . . 117.7 ?
    O15 C34 H71 . . 117.9 ?
    N2B C34 H71 . . 117.9 ?
    C34 N2A C35A . . 122.9(6) ?
    C34 N2A C36 . . 117.9(5) ?
    C35A N2A C36 . . 117.3(5) ?
    C34 N2B C35B . . 131.9(19) ?
    C34 N2B C36 . . 100.4(16) ?
    C35B N2B C36 . . 121.8(17) ?
    C34 O15 Zn4 . . 128.0(3) ?
    N2A C35A H72 . . 109.5 ?
    N2A C35A H73 . . 109.5 ?
    H72 C35A H73 . . 109.5 ?
    N2A C35A H74 . . 109.5 ?
    H72 C35A H74 . . 109.5 ?
    H73 C35A H74 . . 109.5 ?
    N2B C35B H75 . . 109.5 ?
    N2B C35B H76 . . 109.5 ?
    H75 C35B H76 . . 109.5 ?
    N2B C35B H77 . . 109.5 ?
    H75 C35B H77 . . 109.5 ?
    H76 C35B H77 . . 109.5 ?
    N2A C36 H78 . . 109.5 ?
    N2A C36 H79 . . 109.5 ?
    H78 C36 H79 . . 109.5 ?
    N2A C36 H80 . . 109.5 ?
    H78 C36 H80 . . 109.5 ?
    H79 C36 H80 . . 109.5 ?
    N2B C36 H81 . . 109.5 ?
    N2B C36 H82 . . 109.5 ?
    H81 C36 H82 . . 109.5 ?
    N2B C36 H83 . . 109.5 ?
    H81 C36 H83 . . 109.5 ?
    H82 C36 H83 . . 109.5 ?
    Zn7 O16 Zn8 . . 106.50(11) ?
    Zn7 O16 Zn6 . . 107.89(11) ?
    Zn8 O16 Zn6 . . 111.66(12) ?
    Zn7 O16 Zn5 . . 109.60(11) ?
    Zn8 O16 Zn5 . . 113.76(11) ?
    Zn6 O16 Zn5 . . 107.30(11) ?
    O16 Zn5 O30 . . 171.05(10) ?
    O16 Zn5 O17 . . 100.03(10) ?
    O30 Zn5 O17 . . 88.71(11) ?
    O16 Zn5 O26 . . 94.26(10) ?
    O30 Zn5 O26 . . 86.86(12) ?
    O17 Zn5 O26 . . 94.87(11) ?
    O16 Zn5 O19 . . 91.15(11) ?
    O30 Zn5 O19 . . 86.92(12) ?
    O17 Zn5 O19 . . 89.76(11) ?
    O26 Zn5 O19 . . 172.16(11) ?
    O16 Zn5 O29 . . 83.97(10) ?
    O30 Zn5 O29 . . 87.31(11) ?
    O17 Zn5 O29 . . 175.99(11) ?
    O26 Zn5 O29 . . 84.42(11) ?
    O19 Zn5 O29 . . 90.53(11) ?
    O16 Zn6 O20 . . 123.01(11) ?
    O16 Zn6 O21 . . 110.83(11) ?
    O20 Zn6 O21 . . 104.59(13) ?
    O16 Zn6 O27 . 4_575 108.77(11) ?
    O20 Zn6 O27 . 4_575 103.15(13) ?
    O21 Zn6 O27 . 4_575 104.93(15) ?
    O16 Zn6 Zn7 . . 35.85(7) ?
    O20 Zn6 Zn7 . . 132.40(9) ?
    O21 Zn6 Zn7 . . 75.18(9) ?
    O27 Zn6 Zn7 4_575 . 123.26(9) ?
    O25 Zn7 O16 . . 120.30(11) ?
    O25 Zn7 O22 . . 103.87(13) ?
    O16 Zn7 O22 . . 113.40(11) ?
    O25 Zn7 O23 . . 106.53(13) ?
    O16 Zn7 O23 . . 110.11(11) ?
    O22 Zn7 O23 . . 100.64(13) ?
    O25 Zn7 Zn8 . . 125.67(10) ?
    O16 Zn7 Zn8 . . 36.77(7) ?
    O22 Zn7 Zn8 . . 129.87(9) ?
    O23 Zn7 Zn8 . . 74.35(8) ?
    O25 Zn7 Zn6 . . 137.16(9) ?
    O16 Zn7 Zn6 . . 36.26(7) ?
    O22 Zn7 Zn6 . . 77.31(9) ?
    O23 Zn7 Zn6 . . 115.41(9) ?
    Zn8 Zn7 Zn6 . . 62.040(13) ?
    O18 Zn8 O16 . . 115.55(11) ?
    O18 Zn8 O28 . 4_575 112.70(14) ?
    O16 Zn8 O28 . 4_575 107.81(11) ?
    O18 Zn8 O24 . . 104.85(13) ?
    O16 Zn8 O24 . . 114.05(11) ?
    O28 Zn8 O24 4_575 . 101.03(13) ?
    O18 Zn8 Zn7 . . 133.52(9) ?
    O16 Zn8 Zn7 . . 36.73(7) ?
    O28 Zn8 Zn7 4_575 . 112.19(10) ?
    O24 Zn8 Zn7 . . 77.61(8) ?
    C37 O17 Zn5 . . 139.5(3) ?
    O17 C37 O18 . . 125.4(3) ?
    O17 C37 C38 . . 119.4(3) ?
    O18 C37 C38 . . 115.2(3) ?
    C37 O18 Zn8 . . 125.1(2) ?
    C39 C38 C40 . . 120.6(4) ?
    C39 C38 C37 . . 116.8(4) ?
    C40 C38 C37 . . 122.6(4) ?
    C38 C39 C40 . 3_665 122.7(4) ?
    C38 C39 H31 . . 118.7 ?
    C40 C39 H31 3_665 . 118.7 ?
    C39 C40 C38 3_665 . 116.7(4) ?
    C39 C40 C41 3_665 . 117.7(4) ?
    C38 C40 C41 . . 125.6(4) ?
    C40 C41 H1 . . 109.5 ?
    C40 C41 H2 . . 109.5 ?
    H1 C41 H2 . . 109.5 ?
    C40 C41 H3 . . 109.5 ?
    H1 C41 H3 . . 109.5 ?
    H2 C41 H3 . . 109.5 ?
    C42 O19 Zn5 . . 128.9(3) ?
    O19 C42 O20 . . 124.8(4) ?
    O19 C42 C43 . . 118.8(4) ?
    O20 C42 C43 . . 116.4(4) ?
    C42 O20 Zn6 . . 111.8(2) ?
    C44 C43 C45 . 3_565 120.2(4) ?
    C44 C43 C42 . . 117.3(4) ?
    C45 C43 C42 3_565 . 122.5(4) ?
    C43 C44 C45 . . 123.1(4) ?
    C43 C44 H32 . . 118.5 ?
    C45 C44 H32 . . 118.5 ?
    C44 C45 C43 . 3_565 116.7(4) ?
    C44 C45 C46 . . 119.3(4) ?
    C43 C45 C46 3_565 . 123.9(4) ?
    C45 C46 H4 . . 109.5 ?
    C45 C46 H5 . . 109.5 ?
    H4 C46 H5 . . 109.5 ?
    C45 C46 H6 . . 109.5 ?
    H4 C46 H6 . . 109.5 ?
    H5 C46 H6 . . 109.5 ?
    C47 O21 Zn6 . . 130.7(3) ?
    C47 O22 Zn7 . . 128.3(3) ?
    O21 C47 O22 . . 125.3(4) ?
    O21 C47 C48 . . 117.8(3) ?
    O22 C47 C48 . . 116.9(3) ?
    C50 C48 C49 3_575 . 120.9(3) ?
    C50 C48 C47 3_575 . 116.0(3) ?
    C49 C48 C47 . . 123.0(3) ?
    C50 C49 C48 . . 116.4(3) ?
    C50 C49 C51 . . 118.0(4) ?
    C48 C49 C51 . . 125.6(3) ?
    C49 C50 C48 . 3_575 122.7(4) ?
    C49 C50 H33 . . 118.7 ?
    C48 C50 H33 3_575 . 118.7 ?
    C49 C51 H7 . . 109.5 ?
    C49 C51 H8 . . 109.5 ?
    H7 C51 H8 . . 109.5 ?
    C49 C51 H9 . . 109.5 ?
    H7 C51 H9 . . 109.5 ?
    H8 C51 H9 . . 109.5 ?
    O24 C52 O23 . . 124.4(3) ?
    O24 C52 C53 . . 117.8(3) ?
    O23 C52 C53 . . 117.7(3) ?
    C52 O23 Zn7 . . 127.8(3) ?
    C52 O24 Zn8 . . 125.4(2) ?
    C55 C53 C54 . . 120.1(3) ?
    C55 C53 C52 . . 117.1(3) ?
    C54 C53 C52 . . 122.8(3) ?
    C55 C54 C53 3_675 . 116.5(3) ?
    C55 C54 C56 3_675 . 118.4(4) ?
    C53 C54 C56 . . 125.1(3) ?
    C54 C55 C53 3_675 . 123.5(4) ?
    C54 C55 H34 3_675 . 118.3 ?
    C53 C55 H34 . . 118.3 ?
    C54 C56 H10 . . 109.5 ?
    C54 C56 H11 . . 109.5 ?
    H10 C56 H11 . . 109.5 ?
    C54 C56 H12 . . 109.5 ?
    H10 C56 H12 . . 109.5 ?
    H11 C56 H12 . . 109.5 ?
    C57 O25 Zn7 . . 118.1(3) ?
    O26 C57 O25 . . 124.4(4) ?
    O26 C57 C58 . . 119.4(4) ?
    O25 C57 C58 . . 116.1(4) ?
    C57 O26 Zn5 . . 127.7(3) ?
    C63 C58 C59 . . 120.7(4) ?
    C63 C58 C57 . . 116.5(4) ?
    C59 C58 C57 . . 122.8(4) ?
    C60 C59 C58 . . 115.9(4) ?
    C60 C59 C64 . . 118.3(4) ?
    C58 C59 C64 . . 125.7(4) ?
    C61 C60 C59 . . 122.9(4) ?
    C61 C60 H35 . . 118.6 ?
    C59 C60 H35 . . 118.6 ?
    C60 C61 C62 . . 120.8(4) ?
    C60 C61 C66 . . 118.0(4) ?
    C62 C61 C66 . . 121.1(4) ?
    C63 C62 C61 . . 117.1(4) ?
    C63 C62 C65 . . 121.9(4) ?
    C61 C62 C65 . . 121.0(4) ?
    C62 C63 C58 . . 122.5(4) ?
    C62 C63 H36 . . 118.8 ?
    C58 C63 H36 . . 118.8 ?
    C59 C64 H13 . . 109.5 ?
    C59 C64 H14 . . 109.5 ?
    H13 C64 H14 . . 109.5 ?
    C59 C64 H15 . . 109.5 ?
    H13 C64 H15 . . 109.5 ?
    H14 C64 H15 . . 109.5 ?
    C62 C65 H16 . . 109.5 ?
    C62 C65 H17 . . 109.5 ?
    H16 C65 H17 . . 109.5 ?
    C62 C65 H18 . . 109.5 ?
    H16 C65 H18 . . 109.5 ?
    H17 C65 H18 . . 109.5 ?
    C66 O27 Zn6 . 4_576 128.8(3) ?
    O27 C66 O28 . . 126.1(4) ?
    O27 C66 C61 . . 117.9(3) ?
    O28 C66 C61 . . 116.0(3) ?
    C66 O28 Zn8 . 4_576 127.2(3) ?
    C67 O29 Zn5 . . 125.5(3) ?
    O29 C67 N3 . . 124.7(4) ?
    O29 C67 H37 . . 117.7 ?
    N3 C67 H37 . . 117.7 ?
    C67 N3 C69 . . 121.1(5) ?
    C67 N3 C68 . . 121.1(4) ?
    C69 N3 C68 . . 117.8(4) ?
    N3 C68 H19 . . 109.5 ?
    N3 C68 H20 . . 109.5 ?
    H19 C68 H20 . . 109.5 ?
    N3 C68 H21 . . 109.5 ?
    H19 C68 H21 . . 109.5 ?
    H20 C68 H21 . . 109.5 ?
    N3 C69 H22 . . 109.5 ?
    N3 C69 H23 . . 109.5 ?
    H22 C69 H23 . . 109.5 ?
    N3 C69 H24 . . 109.5 ?
    H22 C69 H24 . . 109.5 ?
    H23 C69 H24 . . 109.5 ?
    C70 O30 Zn5 . . 122.9(3) ?
    O30 C70 N4 . . 122.2(4) ?
    O30 C70 H38 . . 118.9 ?
    N4 C70 H38 . . 118.9 ?
    C70 N4 C72 . . 119.6(4) ?
    C70 N4 C71 . . 121.0(4) ?
    C72 N4 C71 . . 119.4(4) ?
    N4 C71 H25 . . 109.5 ?
    N4 C71 H26 . . 109.5 ?
    H25 C71 H26 . . 109.5 ?
    N4 C71 H27 . . 109.5 ?
    H25 C71 H27 . . 109.5 ?
    H26 C71 H27 . . 109.5 ?
    N4 C72 H28 . . 109.5 ?
    N4 C72 H29 . . 109.5 ?
    H28 C72 H29 . . 109.5 ?
    N4 C72 H30 . . 109.5 ?
    H28 C72 H30 . . 109.5 ?
    H29 C72 H30 . . 109.5 ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    Zn1 O2 C1 O3 . . . . -0.4(5) ?
    Zn1 O2 C1 C2 . . . . -179.3(2) ?
    O2 C1 O3 Zn3 . . . . 15.1(6) ?
    C2 C1 O3 Zn3 . . . . -166.0(2) ?
    O3 C1 C2 C7 . . . . -160.8(3) ?
    O2 C1 C2 C7 . . . . 18.2(5) ?
    O3 C1 C2 C3 . . . . 19.4(5) ?
    O2 C1 C2 C3 . . . . -161.6(3) ?
    C7 C2 C3 C4 . . . . -0.8(6) ?
    C1 C2 C3 C4 . . . . 179.0(3) ?
    C7 C2 C3 C8 . . . . -179.4(4) ?
    C1 C2 C3 C8 . . . . 0.4(6) ?
    C2 C3 C4 C5 . . . . 2.3(6) ?
    C8 C3 C4 C5 . . . . -179.0(4) ?
    C3 C4 C5 C6 . . . . -1.3(6) ?
    C3 C4 C5 C10 . . . . 178.7(4) ?
    C4 C5 C6 C7 . . . . -1.2(5) ?
    C10 C5 C6 C7 . . . . 178.7(3) ?
    C4 C5 C6 C9 . . . . -179.0(4) ?
    C10 C5 C6 C9 . . . . 0.9(6) ?
    C5 C6 C7 C2 . . . . 2.7(6) ?
    C9 C6 C7 C2 . . . . -179.4(4) ?
    C3 C2 C7 C6 . . . . -1.7(6) ?
    C1 C2 C7 C6 . . . . 178.5(3) ?
    Zn3 O4 C10 O5 2_645 . . . 0.9(5) ?
    Zn3 O4 C10 C5 2_645 . . . 179.0(2) ?
    C4 C5 C10 O5 . . . . 21.8(5) ?
    C6 C5 C10 O5 . . . . -158.1(4) ?
    C4 C5 C10 O4 . . . . -156.4(4) ?
    C6 C5 C10 O4 . . . . 23.7(5) ?
    O4 C10 O5 Zn4 . . . 2_645 55.7(5) ?
    C5 C10 O5 Zn4 . . . 2_645 -122.4(3) ?
    Zn3 O6 C11 O7 . . . . -19.8(5) ?
    Zn3 O6 C11 C12 . . . . 160.6(2) ?
    O6 C11 O7 Zn2 . . . . 13.5(5) ?
    C12 C11 O7 Zn2 . . . . -166.9(2) ?
    O6 C11 C12 C13 . . . . 157.5(4) ?
    O7 C11 C12 C13 . . . . -22.1(5) ?
    O6 C11 C12 C17 . . . . -26.5(6) ?
    O7 C11 C12 C17 . . . . 153.9(4) ?
    C17 C12 C13 C14 . . . . 2.4(6) ?
    C11 C12 C13 C14 . . . . 178.5(4) ?
    C12 C13 C14 C15 . . . . -2.4(6) ?
    C12 C13 C14 C19 . . . . -180.0(4) ?
    C13 C14 C15 C16 . . . . 0.2(6) ?
    C19 C14 C15 C16 . . . . 177.6(4) ?
    C13 C14 C15 C20 . . . . 179.7(4) ?
    C19 C14 C15 C20 . . . . -2.9(6) ?
    C14 C15 C16 C17 . . . . 2.1(7) ?
    C20 C15 C16 C17 . . . . -177.4(4) ?
    C15 C16 C17 C12 . . . . -2.0(6) ?
    C15 C16 C17 C18 . . . . 179.3(4) ?
    C13 C12 C17 C16 . . . . -0.2(6) ?
    C11 C12 C17 C16 . . . . -176.1(4) ?
    C13 C12 C17 C18 . . . . 178.4(4) ?
    C11 C12 C17 C18 . . . . 2.5(7) ?
    C16 C15 C20 O9 . . . . 132.6(4) ?
    C14 C15 C20 O9 . . . . -46.9(5) ?
    C16 C15 C20 O8 . . . . -44.9(5) ?
    C14 C15 C20 O8 . . . . 135.6(4) ?
    O9 C20 O8 Zn1 . . . 4_576 -2.2(5) ?
    C15 C20 O8 Zn1 . . . 4_576 175.1(2) ?
    O8 C20 O9 Zn4 . . . 4_576 58.0(5) ?
    C15 C20 O9 Zn4 . . . 4_576 -119.3(3) ?
    Zn4 O10 C21 O11 . . . . -12.2(6) ?
    Zn4 O10 C21 C22 . . . . 167.1(2) ?
    O10 C21 O11 Zn2 . . . . -7.8(5) ?
    C22 C21 O11 Zn2 . . . . 172.9(2) ?
    O10 C21 C22 C23 . . . . -14.0(5) ?
    O11 C21 C22 C23 . . . . 165.4(3) ?
    O10 C21 C22 C27 . . . . 165.7(4) ?
    O11 C21 C22 C27 . . . . -15.0(5) ?
    C27 C22 C23 C24 . . . . 2.2(6) ?
    C21 C22 C23 C24 . . . . -178.2(3) ?
    C22 C23 C24 C25 . . . . -0.9(6) ?
    C22 C23 C24 C28 . . . . -179.9(4) ?
    C23 C24 C25 C26 . . . . -1.2(5) ?
    C28 C24 C25 C26 . . . . 177.8(4) ?
    C23 C24 C25 C30 . . . . 179.6(3) ?
    C28 C24 C25 C30 . . . . -1.5(6) ?
    C24 C25 C26 C27 . . . . 2.1(6) ?
    C30 C25 C26 C27 . . . . -178.6(4) ?
    C25 C26 C27 C22 . . . . -0.9(6) ?
    C25 C26 C27 C29 . . . . -179.6(4) ?
    C23 C22 C27 C26 . . . . -1.2(6) ?
    C21 C22 C27 C26 . . . . 179.1(4) ?
    C23 C22 C27 C29 . . . . 177.5(4) ?
    C21 C22 C27 C29 . . . . -2.2(7) ?
    Zn2 O12 C30 O13 2_755 . . . -7.5(5) ?
    Zn2 O12 C30 C25 2_755 . . . 172.7(2) ?
    C26 C25 C30 O12 . . . . 170.2(3) ?
    C24 C25 C30 O12 . . . . -10.5(5) ?
    C26 C25 C30 O13 . . . . -9.6(5) ?
    C24 C25 C30 O13 . . . . 169.7(3) ?
    O12 C30 O13 Zn1 . . . 2_755 -4.7(6) ?
    C25 C30 O13 Zn1 . . . 2_755 175.0(2) ?
    Zn4 O14 C31 N1 . . . . 168.5(4) ?
    O14 C31 N1 C33 . . . . -0.7(8) ?
    O14 C31 N1 C32 . . . . -179.2(5) ?
    O15 C34 N2A C35A . . . . -171.9(7) ?
    O15 C34 N2A C36 . . . . 24.4(12) ?
    O15 C34 N2B C35B . . . . 153(2) ?
    O15 C34 N2B C36 . . . . -54.8(19) ?
    N2A C34 O15 Zn4 . . . . -176.8(6) ?
    N2B C34 O15 Zn4 . . . . -129.3(15) ?
    Zn5 O17 C37 O18 . . . . -0.9(7) ?
    Zn5 O17 C37 C38 . . . . 180.0(3) ?
    O17 C37 O18 Zn8 . . . . 4.2(6) ?
    C38 C37 O18 Zn8 . . . . -176.7(3) ?
    O17 C37 C38 C39 . . . . 162.2(4) ?
    O18 C37 C38 C39 . . . . -16.9(6) ?
    O17 C37 C38 C40 . . . . -19.2(6) ?
    O18 C37 C38 C40 . . . . 161.6(4) ?
    C40 C38 C39 C40 . . . 3_665 0.8(8) ?
    C37 C38 C39 C40 . . . 3_665 179.4(4) ?
    C39 C38 C40 C39 . . . 3_665 -0.8(8) ?
    C37 C38 C40 C39 . . . 3_665 -179.2(4) ?
    C39 C38 C40 C41 . . . . -179.6(5) ?
    C37 C38 C40 C41 . . . . 2.0(8) ?
    Zn5 O19 C42 O20 . . . . 51.1(6) ?
    Zn5 O19 C42 C43 . . . . -127.3(3) ?
    O19 C42 O20 Zn6 . . . . 6.0(5) ?
    C43 C42 O20 Zn6 . . . . -175.6(3) ?
    O19 C42 C43 C44 . . . . 136.6(4) ?
    O20 C42 C43 C44 . . . . -41.9(6) ?
    O19 C42 C43 C45 . . . 3_565 -42.1(6) ?
    O20 C42 C43 C45 . . . 3_565 139.4(5) ?
    C45 C43 C44 C45 3_565 . . . 2.4(8) ?
    C42 C43 C44 C45 . . . . -176.3(4) ?
    C43 C44 C45 C43 . . . 3_565 -2.3(8) ?
    C43 C44 C45 C46 . . . . 173.4(5) ?
    Zn6 O21 C47 O22 . . . . 10.3(6) ?
    Zn6 O21 C47 C48 . . . . -170.8(3) ?
    Zn7 O22 C47 O21 . . . . 10.6(6) ?
    Zn7 O22 C47 C48 . . . . -168.3(3) ?
    O21 C47 C48 C50 . . . 3_575 5.6(5) ?
    O22 C47 C48 C50 . . . 3_575 -175.4(4) ?
    O21 C47 C48 C49 . . . . -172.9(4) ?
    O22 C47 C48 C49 . . . . 6.1(6) ?
    C50 C48 C49 C50 3_575 . . . -0.2(6) ?
    C47 C48 C49 C50 . . . . 178.3(3) ?
    C50 C48 C49 C51 3_575 . . . -179.7(4) ?
    C47 C48 C49 C51 . . . . -1.2(6) ?
    C48 C49 C50 C48 . . . 3_575 0.2(6) ?
    C51 C49 C50 C48 . . . 3_575 179.7(4) ?
    O24 C52 O23 Zn7 . . . . 24.2(6) ?
    C53 C52 O23 Zn7 . . . . -158.3(3) ?
    O23 C52 O24 Zn8 . . . . 11.5(6) ?
    C53 C52 O24 Zn8 . . . . -165.9(2) ?
    O24 C52 C53 C55 . . . . 20.9(5) ?
    O23 C52 C53 C55 . . . . -156.7(4) ?
    O24 C52 C53 C54 . . . . -161.4(4) ?
    O23 C52 C53 C54 . . . . 21.0(5) ?
    C55 C53 C54 C55 . . . 3_675 -0.6(6) ?
    C52 C53 C54 C55 . . . 3_675 -178.2(3) ?
    C55 C53 C54 C56 . . . . -179.7(4) ?
    C52 C53 C54 C56 . . . . 2.6(6) ?
    C54 C53 C55 C54 . . . 3_675 0.6(7) ?
    C52 C53 C55 C54 . . . 3_675 178.4(4) ?
    Zn7 O25 C57 O26 . . . . 19.7(5) ?
    Zn7 O25 C57 C58 . . . . -160.9(3) ?
    O25 C57 O26 Zn5 . . . . -59.6(5) ?
    C58 C57 O26 Zn5 . . . . 121.0(3) ?
    O26 C57 C58 C63 . . . . -9.5(6) ?
    O25 C57 C58 C63 . . . . 171.0(4) ?
    O26 C57 C58 C59 . . . . 172.5(4) ?
    O25 C57 C58 C59 . . . . -7.0(6) ?
    C63 C58 C59 C60 . . . . 1.2(6) ?
    C57 C58 C59 C60 . . . . 179.1(4) ?
    C63 C58 C59 C64 . . . . -178.4(4) ?
    C57 C58 C59 C64 . . . . -0.5(6) ?
    C58 C59 C60 C61 . . . . 1.0(6) ?
    C64 C59 C60 C61 . . . . -179.4(4) ?
    C59 C60 C61 C62 . . . . -2.5(6) ?
    C59 C60 C61 C66 . . . . 174.2(4) ?
    C60 C61 C62 C63 . . . . 1.6(6) ?
    C66 C61 C62 C63 . . . . -174.9(4) ?
    C60 C61 C62 C65 . . . . -177.2(4) ?
    C66 C61 C62 C65 . . . . 6.3(6) ?
    C61 C62 C63 C58 . . . . 0.5(6) ?
    C65 C62 C63 C58 . . . . 179.4(4) ?
    C59 C58 C63 C62 . . . . -2.0(6) ?
    C57 C58 C63 C62 . . . . 180.0(4) ?
    Zn6 O27 C66 O28 4_576 . . . -4.4(7) ?
    Zn6 O27 C66 C61 4_576 . . . 175.6(3) ?
    C60 C61 C66 O27 . . . . 68.7(5) ?
    C62 C61 C66 O27 . . . . -114.6(5) ?
    C60 C61 C66 O28 . . . . -111.3(4) ?
    C62 C61 C66 O28 . . . . 65.4(5) ?
    O27 C66 O28 Zn8 . . . 4_576 -28.0(7) ?
    C61 C66 O28 Zn8 . . . 4_576 152.0(3) ?
    Zn5 O29 C67 N3 . . . . 153.2(3) ?
    O29 C67 N3 C69 . . . . -179.9(5) ?
    O29 C67 N3 C68 . . . . -1.4(7) ?
    Zn5 O30 C70 N4 . . . . 162.8(3) ?
    O30 C70 N4 C72 . . . . -3.0(7) ?
    O30 C70 N4 C71 . . . . 179.2(4) ?
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     0.801
_shelx_estimated_absorpt_T_max     0.801
data_global
_journal_date_recd_electronic     2020-05-08
_journal_date_accepted     2020-07-23
_journal_name_full     'Acta Crystallographica, Section C'
_journal_year     2020
_journal_volume     76
_journal_issue      9
_journal_page_first               845
_journal_page_last                849
_journal_paper_category     FA
_journal_paper_doi     10.1107/S2053229620010177
_journal_coeditor_code     UK3198
loop_
    _publ_contact_author_name
    _publ_contact_author_address
    _publ_contact_author_email
    'Sugamata, Koh'
;
Department of Chemistry
Rikkyo University
3-34-1 Nishi-Ikebukuro
Toshima-ku
Tokyo 171-8501
Japan
;
 sugamata@rikkyo.ac.jp
    'Minoura, Mao'
;
Department of Chemistry
Rikkyo University
3-34-1 Nishi-Ikebukuro
Toshima-ku
Tokyo 171-8501
Japan
;
 minoura@rikkyo.ac.jp
_publ_contact_author_fax     '+81-3-3985-2406'
_publ_contact_author_phone     '+81-3-3985-2406'
_publ_section_title
;
Structural analysis of interpenetrated methyl-modified MOF-5 and its
gas-adsorption properties
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Sugamata, Koh' .
;
Department of Chemistry
Rikkyo University
3-34-1 Nishi-Ikebukuro
Toshima-ku
Tokyo 171-8501
Japan
;
    'Yanagisawa, Daichi' .
;
Department of Chemistry
Rikkyo University
3-34-1 Nishi-Ikebukuro
Toshima-ku
Tokyo 171-8501
Japan
;
    'Awano, Keiko' .
;
Department of Chemistry
Rikkyo University
3-34-1 Nishi-Ikebukuro
Toshima-ku
Tokyo 171-8501
Japan
;
    'Iihama, Teruyuki' .
;
Department of Chemistry
Rikkyo University
3-34-1 Nishi-Ikebukuro
Toshima-ku
Tokyo 171-8501
Japan
;
    'Minoura, Mao' .
;
Department of Chemistry
Rikkyo University
3-34-1 Nishi-Ikebukuro
Toshima-ku
Tokyo 171-8501
Japan
;
_publ_section_synopsis
;
We report the controlled synthesis of non-interpenetrated and interpenetrated
methyl-modified MOF-5, which exhibit different pore structures. These
compounds were prepared via a hydrothermal synthesis, in which the
choice of solvent is of critical importance.
;
