#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:00:22 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180164 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/60/7106014.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_7106014
loop_
_publ_author_name
'Jingui Duan'
'Junfeng Bai'
'Baishu Zheng'
'Yizhi Li'
'Wenchao Ren'
_publ_section_title
;
 Controlling the Shifting Degree of Interpenetrated Metal-Organic
 Frameworks by Template and Temperature and Their Hydrogen Adsorption
 Properties
;
_journal_name_full               Chem.Commun.
_journal_page_first              2556
_journal_paper_doi               10.1039/c0cc04146g
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C51 H38 N5 O18 Zn4'
_chemical_formula_weight         1270.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.592(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.0893(15)
_cell_length_b                   26.952(2)
_cell_length_c                   31.7133(18)
_cell_measurement_reflns_used    122768
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26
_cell_measurement_theta_min      1.1
_cell_volume                     14188.1(18)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART, (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD'
_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  0.0669
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            95416
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  0.9087
_exptl_absorpt_correction_T_min  0.8848
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    0.595
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2572
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.375
_refine_diff_density_min         -0.597
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     707
_refine_ls_number_reflns         27890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0614
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0600P)²+1.8800P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1359
_refine_ls_wR_factor_ref         0.1428
_reflns_number_gt                18198
_reflns_number_total             27890
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC04146G.TXT
_cod_data_source_block           aa
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        14188.1(17)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7106014
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.41782(18) 0.58932(11) 0.45930(11) 0.0439(7) Uani 1 1 d . . .
C2 C 0.49471(19) 0.59058(11) 0.45739(10) 0.0429(7) Uani 1 1 d . . .
C3 C 0.51357(19) 0.63409(11) 0.44130(11) 0.0438(7) Uani 1 1 d . . .
H3 H 0.4776 0.6606 0.4306 0.053 Uiso 1 1 calc R . .
C4 C 0.58579(18) 0.63775(11) 0.44127(11) 0.0441(7) Uani 1 1 d . . .
H4 H 0.5980 0.6666 0.4301 0.053 Uiso 1 1 calc R . .
C5 C 0.64019(18) 0.59863(10) 0.45781(11) 0.0421(7) Uani 1 1 d . . .
C6 C 0.62131(18) 0.55564(11) 0.47409(11) 0.0469(8) Uani 1 1 d . . .
H6 H 0.6576 0.5293 0.4852 0.056 Uiso 1 1 calc R . .
C7 C 0.54864(18) 0.55167(12) 0.47386(11) 0.0476(8) Uani 1 1 d . . .
H7 H 0.5363 0.5227 0.4848 0.057 Uiso 1 1 calc R . .
C8 C 0.71762(18) 0.60239(11) 0.45745(11) 0.0432(7) Uani 1 1 d . . .
C9 C 0.86638(18) 0.60879(10) 0.50121(11) 0.0426(7) Uani 1 1 d . . .
C10 C 0.91377(17) 0.65135(11) 0.51565(11) 0.0436(7) Uani 1 1 d . . .
H10 H 0.8965 0.6794 0.5250 0.052 Uiso 1 1 calc R . .
C11 C 0.98705(18) 0.65203(10) 0.51614(10) 0.0409(7) Uani 1 1 d . . .
H11 H 1.0189 0.6804 0.5262 0.049 Uiso 1 1 calc R . .
C12 C 1.01272(19) 0.61068(11) 0.50175(10) 0.0430(7) Uani 1 1 d . . .
C13 C 0.96499(18) 0.56765(11) 0.48707(11) 0.0441(7) Uani 1 1 d . . .
H13 H 0.9822 0.5397 0.4775 0.053 Uiso 1 1 calc R . .
C14 C 0.89241(18) 0.56677(11) 0.48691(11) 0.0448(7) Uani 1 1 d . . .
H14 H 0.8609 0.5382 0.4773 0.054 Uiso 1 1 calc R . .
C15 C 1.09003(19) 0.61324(11) 0.50112(11) 0.0463(7) Uani 1 1 d . . .
C16 C 0.34835(19) 0.51170(11) 0.58528(11) 0.0471(8) Uani 1 1 d . . .
C17 C 0.38861(18) 0.47073(11) 0.62062(11) 0.0469(8) Uani 1 1 d . . .
C18 C 0.38853(19) 0.47145(12) 0.66455(11) 0.0513(8) Uani 1 1 d . . .
H18 H 0.3635 0.4974 0.6714 0.062 Uiso 1 1 calc R . .
C19 C 0.42548(19) 0.43373(12) 0.69815(12) 0.0504(8) Uani 1 1 d . . .
H19 H 0.4254 0.4343 0.7274 0.060 Uiso 1 1 calc R . .
C20 C 0.46265(18) 0.39497(10) 0.68772(10) 0.0421(7) Uani 1 1 d . . .
C21 C 0.4635(2) 0.39387(12) 0.64422(11) 0.0501(8) Uani 1 1 d . . .
H21 H 0.4889 0.3681 0.6376 0.060 Uiso 1 1 calc R . .
C22 C 0.4261(2) 0.43138(11) 0.61087(11) 0.0498(8) Uani 1 1 d . . .
H22 H 0.4260 0.4305 0.5815 0.060 Uiso 1 1 calc R . .
C23 C 0.50408(18) 0.85133(12) 0.73613(11) 0.0456(7) Uani 1 1 d . . .
C24 C 0.46471(19) 0.81083(11) 0.69878(11) 0.0444(7) Uani 1 1 d . . .
C25 C 0.38567(19) 0.81657(11) 0.66117(10) 0.0449(7) Uani 1 1 d . . .
H25 H 0.3585 0.8462 0.6581 0.054 Uiso 1 1 calc R . .
C26 C 0.34711(18) 0.77834(11) 0.62812(10) 0.0413(7) Uani 1 1 d . . .
H26 H 0.2939 0.7819 0.6036 0.050 Uiso 1 1 calc R . .
C27 C 0.38935(18) 0.73474(11) 0.63232(10) 0.0432(7) Uani 1 1 d . . .
C28 C 0.46895(17) 0.72907(11) 0.66969(10) 0.0425(7) Uani 1 1 d . . .
H28 H 0.4969 0.6998 0.6725 0.051 Uiso 1 1 calc R . .
C29 C 0.50588(18) 0.76757(11) 0.70251(11) 0.0503(9) Uani 1 1 d . . .
H29 H 0.5589 0.7641 0.7272 0.060 Uiso 1 1 calc R . .
C30 C 0.34962(18) 0.69667(11) 0.59473(10) 0.0416(7) Uani 1 1 d . . .
C31 C 0.17548(18) 0.51368(12) 0.40938(11) 0.0437(7) Uani 1 1 d . . .
C32 C 0.13262(17) 0.47507(11) 0.37276(10) 0.0416(7) Uani 1 1 d . . .
C33 C 0.10902(17) 0.43183(11) 0.38573(11) 0.0430(7) Uani 1 1 d . . .
H33 H 0.1184 0.4277 0.4172 0.052 Uiso 1 1 calc R . .
C34 C 0.07125(18) 0.39455(11) 0.35151(10) 0.0434(7) Uani 1 1 d . . .
H34 H 0.0554 0.3654 0.3600 0.052 Uiso 1 1 calc R . .
C35 C 0.05743(19) 0.40103(10) 0.30496(11) 0.0428(7) Uani 1 1 d . . .
C36 C 0.08083(18) 0.44406(11) 0.29143(11) 0.0426(7) Uani 1 1 d . . .
H36 H 0.0712 0.4480 0.2599 0.051 Uiso 1 1 calc R . .
C37 C 0.11898(18) 0.48154(11) 0.32571(10) 0.0443(7) Uani 1 1 d . . .
H37 H 0.1352 0.5106 0.3172 0.053 Uiso 1 1 calc R . .
C38 C 0.02004(18) 0.35903(11) 0.27086(11) 0.0455(7) Uani 1 1 d . . .
C39 C 0.06312(18) 0.82535(11) 0.30837(11) 0.0459(7) Uani 1 1 d . . .
C40 C 0.08485(18) 0.78347(11) 0.29306(11) 0.0431(7) Uani 1 1 d . . .
H40 H 0.0752 0.7815 0.2614 0.052 Uiso 1 1 calc R . .
C41 C 0.12148(18) 0.74357(11) 0.32494(10) 0.0441(7) Uani 1 1 d . . .
H41 H 0.1373 0.7155 0.3148 0.053 Uiso 1 1 calc R . .
C42 C 0.13396(18) 0.74661(11) 0.37236(10) 0.0434(7) Uani 1 1 d . . .
C43 C 0.11086(18) 0.78818(11) 0.38727(12) 0.0461(7) Uani 1 1 d . . .
H43 H 0.1186 0.7896 0.4186 0.055 Uiso 1 1 calc R . .
C44 C 0.07553(19) 0.82878(12) 0.35563(11) 0.0483(8) Uani 1 1 d . . .
H44 H 0.0608 0.8572 0.3659 0.058 Uiso 1 1 calc R . .
C45 C 0.17358(17) 0.70328(11) 0.40579(11) 0.0434(7) Uani 1 1 d . . .
C46 C 0.54806(16) 0.57261(11) 0.59435(10) 0.0406(7) Uani 1 1 d . . .
H46 H 0.5205 0.5426 0.5863 0.049 Uiso 1 1 calc R . .
C47 C 0.68170(18) 0.52411(11) 0.62854(11) 0.0464(8) Uani 1 1 d . . .
H47A H 0.6907 0.5109 0.6589 0.070 Uiso 1 1 calc R . .
H47B H 0.7326 0.5296 0.6301 0.070 Uiso 1 1 calc R . .
H47C H 0.6506 0.5009 0.6031 0.070 Uiso 1 1 calc R . .
C48 C 0.68522(18) 0.62003(10) 0.62965(11) 0.0432(7) Uani 1 1 d . . .
H48A H 0.6654 0.6394 0.6006 0.065 Uiso 1 1 calc R . .
H48B H 0.7410 0.6124 0.6417 0.065 Uiso 1 1 calc R . .
H48C H 0.6796 0.6385 0.6537 0.065 Uiso 1 1 calc R . .
C49 C 0.45184(17) 0.70220(10) 0.52444(11) 0.0424(7) Uani 1 1 d . . .
H49 H 0.4966 0.6964 0.5547 0.051 Uiso 1 1 calc R . .
C50 C 0.53517(17) 0.76377(11) 0.50495(11) 0.0428(7) Uani 1 1 d . . .
H50A H 0.5413 0.7960 0.5193 0.064 Uiso 1 1 calc R . .
H50B H 0.5375 0.7667 0.4755 0.064 Uiso 1 1 calc R . .
H50C H 0.5777 0.7424 0.5271 0.064 Uiso 1 1 calc R . .
C51 C 0.37799(18) 0.75890(10) 0.44972(11) 0.0439(7) Uani 1 1 d . . .
H51A H 0.3507 0.7308 0.4298 0.066 Uiso 1 1 calc R . .
H51B H 0.3908 0.7820 0.4315 0.066 Uiso 1 1 calc R . .
H51C H 0.3437 0.7747 0.4599 0.066 Uiso 1 1 calc R . .
N1 N 0.78770(15) 0.60560(9) 0.49946(9) 0.0451(6) Uani 1 1 d . . .
N2 N -0.01978(15) 0.36573(9) 0.22639(9) 0.0440(6) Uani 1 1 d . . .
N3 N 0.50252(15) 0.85211(9) 0.77681(9) 0.0428(6) Uani 1 1 d . . .
N4 N 0.63709(14) 0.57201(8) 0.61854(8) 0.0403(6) Uani 1 1 d . . .
N5 N 0.45463(14) 0.74200(8) 0.49374(8) 0.0401(6) Uani 1 1 d . . .
O1 O 0.27413(12) 0.61011(7) 0.49826(7) 0.0402(5) Uani 1 1 d . . .
O2 O 0.35842(12) 0.61148(7) 0.42729(7) 0.0429(5) Uani 1 1 d . . .
O4 O 0.71826(12) 0.60140(7) 0.41816(7) 0.0430(5) Uani 1 1 d . . .
O5 O 1.12271(12) 0.65277(7) 0.50498(7) 0.0436(5) Uani 1 1 d . . .
O6 O 1.12315(12) 0.57331(7) 0.49985(7) 0.0406(5) Uani 1 1 d . . .
O7 O 0.39279(12) 0.54573(7) 0.58495(7) 0.0394(5) Uani 1 1 d . . .
O8 O 0.27629(12) 0.50732(7) 0.55778(7) 0.0432(5) Uani 1 1 d . . .
O9 O 0.53916(12) 0.88550(7) 0.72623(7) 0.0401(5) Uani 1 1 d . . .
O10 O 0.28108(12) 0.70906(7) 0.56134(7) 0.0417(5) Uani 1 1 d . . .
O12 O 0.19755(12) 0.55302(7) 0.39707(7) 0.0406(5) Uani 1 1 d . . .
O13 O 0.18717(12) 0.50476(7) 0.45123(7) 0.0395(5) Uani 1 1 d . . .
O14 O 0.01946(12) 0.31191(7) 0.27575(7) 0.0413(5) Uani 1 1 d . . .
O15 O 0.18414(12) 0.70537(7) 0.44779(7) 0.0412(5) Uani 1 1 d . . .
O17 O 0.50929(12) 0.61121(7) 0.58453(7) 0.0427(5) Uani 1 1 d . . .
O18 O 0.39269(12) 0.67696(7) 0.51112(7) 0.0422(5) Uani 1 1 d . . .
Zn1 Zn 0.26501(2) 0.609406(12) 0.434883(12) 0.04186(9) Uani 1 1 d . . .
O16 O 0.19845(11) 0.66818(7) 0.39237(7) 0.0406(5) Uani 1 1 d . . .
Zn2 Zn 0.21945(2) 0.553006(12) 0.503833(12) 0.04124(9) Uani 1 1 d . . .
O3 O 0.41226(12) 0.56477(7) 0.49014(7) 0.0419(5) Uani 1 1 d . . .
Zn3 Zn 0.38863(2) 0.611770(12) 0.549624(12) 0.04213(9) Uani 1 1 d . . .
O11 O 0.38456(12) 0.65720(7) 0.60003(7) 0.0409(5) Uani 1 1 d . . .
Zn4 Zn 0.22157(2) 0.668665(12) 0.503853(12) 0.04273(10) 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
_geom_angle_publ_flag
O3 C1 O2 120.5(3) . . ?
O3 C1 C2 121.1(3) . . ?
O2 C1 C2 118.3(3) . . ?
C7 C2 C3 119.9(3) . . ?
C7 C2 C1 122.0(3) . . ?
C3 C2 C1 117.9(3) . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C6 C5 C4 119.5(3) . . ?
C6 C5 C8 120.1(3) . . ?
C4 C5 C8 120.4(3) . . ?
C5 C6 C7 120.4(3) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C2 C7 C6 120.0(3) . . ?
C2 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
O4 C8 N1 119.5(3) . . ?
O4 C8 C5 120.3(3) . . ?
N1 C8 C5 120.2(3) . . ?
C10 C9 C14 119.8(3) . . ?
C10 C9 N1 123.0(3) . . ?
C14 C9 N1 117.2(3) . . ?
C9 C10 C11 120.1(3) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 119.8(3) . . ?
C11 C12 C15 118.9(3) . . ?
C13 C12 C15 121.3(3) . . ?
C14 C13 C12 120.0(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C9 120.0(3) . . ?
C13 C14 H14 120.0 . . ?
C9 C14 H14 120.0 . . ?
O5 C15 O6 120.9(3) . . ?
O5 C15 C12 120.3(3) . . ?
O6 C15 C12 118.6(3) . . ?
O8 C16 O7 126.5(3) . . ?
O8 C16 C17 116.6(3) . . ?
O7 C16 C17 116.7(3) . . ?
C18 C17 C22 119.0(3) . . ?
C18 C17 C16 119.2(3) . . ?
C22 C17 C16 121.8(3) . . ?
C19 C18 C17 120.4(3) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 119.5(3) . . ?
C18 C19 H19 120.2 . . ?
C20 C19 H19 120.2 . . ?
C21 C20 C19 120.7(3) . . ?
C21 C20 N3 120.3(3) . 2_646 ?
C19 C20 N3 118.9(3) . 2_646 ?
C22 C21 C20 119.4(3) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C17 120.9(3) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
O9 C23 N3 120.4(3) . . ?
O9 C23 C24 116.8(3) . . ?
N3 C23 C24 122.8(3) . . ?
C29 C24 C25 119.8(3) . . ?
C29 C24 C23 120.2(3) . . ?
C25 C24 C23 120.0(3) . . ?
C26 C25 C24 120.5(3) . . ?
C26 C25 H25 119.7 . . ?
C24 C25 H25 119.7 . . ?
C25 C26 C27 119.1(3) . . ?
C25 C26 H26 120.5 . . ?
C27 C26 H26 120.5 . . ?
C26 C27 C28 120.5(3) . . ?
C26 C27 C30 118.0(3) . . ?
C28 C27 C30 121.4(3) . . ?
C29 C28 C27 119.3(3) . . ?
C29 C28 H28 120.3 . . ?
C27 C28 H28 120.3 . . ?
C24 C29 C28 120.7(3) . . ?
C24 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
O11 C30 O10 128.2(3) . . ?
O11 C30 C27 117.9(3) . . ?
O10 C30 C27 113.8(3) . . ?
O13 C31 O12 124.8(3) . . ?
O13 C31 C32 116.0(3) . . ?
O12 C31 C32 119.1(3) . . ?
C33 C32 C37 120.5(3) . . ?
C33 C32 C31 119.8(3) . . ?
C37 C32 C31 119.6(3) . . ?
C32 C33 C34 119.7(3) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C35 C34 C33 119.7(3) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 121.2(3) . . ?
C34 C35 C38 117.0(3) . . ?
C36 C35 C38 121.8(3) . . ?
C35 C36 C37 119.2(3) . . ?
C35 C36 H36 120.4 . . ?
C37 C36 H36 120.4 . . ?
C32 C37 C36 119.5(3) . . ?
C32 C37 H37 120.2 . . ?
C36 C37 H37 120.2 . . ?
N2 C38 O14 104.2(3) . . ?
N2 C38 C35 121.5(3) . . ?
O14 C38 C35 134.4(3) . . ?
C40 C39 C44 120.8(3) . . ?
C40 C39 N2 119.9(3) . 2 ?
C44 C39 N2 119.1(3) . 2 ?
C39 C40 C41 120.4(3) . . ?
C39 C40 H40 119.8 . . ?
C41 C40 H40 119.8 . . ?
C40 C41 C42 119.2(3) . . ?
C40 C41 H41 120.4 . . ?
C42 C41 H41 120.4 . . ?
C43 C42 C41 120.2(3) . . ?
C43 C42 C45 121.8(3) . . ?
C41 C42 C45 118.0(3) . . ?
C42 C43 C44 120.7(3) . . ?
C42 C43 H43 119.6 . . ?
C44 C43 H43 119.6 . . ?
C39 C44 C43 118.6(3) . . ?
C39 C44 H44 120.7 . . ?
C43 C44 H44 120.7 . . ?
O16 C45 O15 121.3(3) . . ?
O16 C45 C42 120.0(3) . . ?
O15 C45 C42 118.5(3) . . ?
O17 C46 N4 122.4(2) . . ?
O17 C46 H46 118.8 . . ?
N4 C46 H46 118.8 . . ?
N4 C47 H47A 109.5 . . ?
N4 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
N4 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
N4 C48 H48A 109.5 . . ?
N4 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
N4 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O18 C49 N5 121.1(2) . . ?
O18 C49 H49 119.5 . . ?
N5 C49 H49 119.5 . . ?
N5 C50 H50A 109.5 . . ?
N5 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
N5 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N5 C51 H51A 109.5 . . ?
N5 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
N5 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C8 N1 C9 122.4(3) . . ?
C38 N2 C39 122.9(3) . 2_545 ?
C23 N3 C20 122.0(3) . 2_656 ?
C46 N4 C47 120.6(2) . . ?
C46 N4 C48 121.2(2) . . ?
C47 N4 C48 118.0(2) . . ?
C49 N5 C51 119.9(2) . . ?
C49 N5 C50 119.5(2) . . ?
C51 N5 C50 120.5(3) . . ?
Zn2 O1 Zn4 108.51(10) . . ?
Zn2 O1 Zn1 108.37(9) . . ?
Zn4 O1 Zn1 108.72(9) . . ?
Zn2 O1 Zn3 111.89(9) . . ?
Zn4 O1 Zn3 108.64(9) . . ?
Zn1 O1 Zn3 110.63(10) . . ?
C1 O2 Zn1 114.5(2) . . ?
C15 O5 Zn4 130.2(2) . 1_655 ?
C15 O6 Zn2 138.1(2) . 1_655 ?
C16 O7 Zn3 141.59(19) . . ?
C16 O8 Zn2 120.7(2) . . ?
C30 O10 Zn4 121.78(19) . . ?
C31 O12 Zn1 132.27(19) . . ?
C31 O13 Zn2 126.15(19) . . ?
C45 O15 Zn4 142.0(2) . . ?
C46 O17 Zn3 122.18(19) . . ?
C49 O18 Zn3 123.41(19) . . ?
O2 Zn1 O1 121.34(8) . . ?
O2 Zn1 O12 108.38(8) . . ?
O1 Zn1 O12 109.70(9) . . ?
O2 Zn1 O16 101.94(9) . . ?
O1 Zn1 O16 112.52(8) . . ?
O12 Zn1 O16 100.85(8) . . ?
O2 Zn1 Zn2 134.59(6) . . ?
O1 Zn1 Zn2 35.67(6) . . ?
O12 Zn1 Zn2 74.09(6) . . ?
O16 Zn1 Zn2 122.53(6) . . ?
O2 Zn1 Zn4 131.08(6) . . ?
O1 Zn1 Zn4 35.59(6) . . ?
O12 Zn1 Zn4 119.96(6) . . ?
O16 Zn1 Zn4 76.97(6) . . ?
Zn2 Zn1 Zn4 59.825(12) . . ?
C45 O16 Zn1 125.9(2) . . ?
O6 Zn2 O1 108.80(8) 1_455 . ?
O6 Zn2 O8 110.42(9) 1_455 . ?
O1 Zn2 O8 119.78(8) . . ?
O6 Zn2 O13 104.63(8) 1_455 . ?
O1 Zn2 O13 114.27(9) . . ?
O8 Zn2 O13 97.65(8) . . ?
O6 Zn2 Zn4 73.64(6) 1_455 . ?
O1 Zn2 Zn4 35.84(6) . . ?
O8 Zn2 Zn4 129.12(6) . . ?
O13 Zn2 Zn4 131.48(6) . . ?
O6 Zn2 Zn1 114.65(6) 1_455 . ?
O1 Zn2 Zn1 35.96(6) . . ?
O8 Zn2 Zn1 134.21(7) . . ?
O13 Zn2 Zn1 78.80(6) . . ?
Zn4 Zn2 Zn1 60.310(12) . . ?
O1 Zn3 O17 162.91(9) . . ?
O1 Zn3 O11 101.78(8) . . ?
O17 Zn3 O11 92.85(8) . . ?
O1 Zn3 O7 99.01(8) . . ?
O17 Zn3 O7 88.18(8) . . ?
O11 Zn3 O7 95.58(8) . . ?
O1 Zn3 O18 83.49(8) . . ?
O17 Zn3 O18 88.06(8) . . ?
O11 Zn3 O18 88.90(8) . . ?
O7 Zn3 O18 174.29(8) . . ?
C30 O11 Zn3 129.95(19) . . ?
O15 Zn4 O1 108.82(9) . . ?
O15 Zn4 O10 111.96(9) . . ?
O1 Zn4 O10 117.22(8) . . ?
O15 Zn4 O5 102.57(9) . 1_455 ?
O1 Zn4 O5 111.98(9) . 1_455 ?
O10 Zn4 O5 103.24(9) . 1_455 ?
O15 Zn4 Zn2 122.54(6) . . ?
O1 Zn4 Zn2 35.65(6) . . ?
O10 Zn4 Zn2 124.30(6) . . ?
O5 Zn4 Zn2 76.59(6) 1_455 . ?
O15 Zn4 Zn1 73.16(7) . . ?
O1 Zn4 Zn1 35.69(6) . . ?
O10 Zn4 Zn1 135.16(7) . . ?
O5 Zn4 Zn1 119.49(6) 1_455 . ?
Zn2 Zn4 Zn1 59.865(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O3 1.228(4) . ?
C1 O2 1.239(4) . ?
C1 C2 1.499(5) . ?
C2 C7 1.379(4) . ?
C2 C3 1.395(5) . ?
C3 C4 1.383(5) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(4) . ?
C5 C8 1.487(5) . ?
C6 C7 1.388(5) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 O4 1.252(4) . ?
C8 N1 1.346(4) . ?
C9 C10 1.391(4) . ?
C9 C14 1.399(4) . ?
C9 N1 1.478(4) . ?
C10 C11 1.391(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.382(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.405(4) . ?
C12 C15 1.487(5) . ?
C13 C14 1.383(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 O5 1.210(4) . ?
C15 O6 1.259(4) . ?
C16 O8 1.217(4) . ?
C16 O7 1.253(4) . ?
C16 C17 1.488(4) . ?
C17 C18 1.394(5) . ?
C17 C22 1.397(5) . ?
C18 C19 1.387(4) . ?
C18 H18 0.9300 . ?
C19 C20 1.392(5) . ?
C19 H19 0.9300 . ?
C20 C21 1.387(5) . ?
C20 N3 1.518(4) 2_646 ?
C21 C22 1.380(4) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C23 O9 1.266(4) . ?
C23 N3 1.305(4) . ?
C23 C24 1.510(4) . ?
C24 C29 1.378(4) . ?
C24 C25 1.395(4) . ?
C25 C26 1.393(4) . ?
C25 H25 0.9300 . ?
C26 C27 1.394(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.399(4) . ?
C27 C30 1.468(4) . ?
C28 C29 1.390(4) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 O11 1.222(3) . ?
C30 O10 1.256(3) . ?
C31 O13 1.256(4) . ?
C31 O12 1.271(4) . ?
C31 C32 1.471(4) . ?
C32 C33 1.383(4) . ?
C32 C37 1.393(4) . ?
C33 C34 1.391(4) . ?
C33 H33 0.9300 . ?
C34 C35 1.377(4) . ?
C34 H34 0.9300 . ?
C35 C36 1.385(4) . ?
C35 C38 1.482(4) . ?
C36 C37 1.397(4) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 N2 1.241(4) . ?
C38 O14 1.280(3) . ?
C39 C40 1.371(4) . ?
C39 C44 1.400(5) . ?
C39 N2 1.478(4) 2 ?
C40 C41 1.403(4) . ?
C40 H40 0.9300 . ?
C41 C42 1.404(4) . ?
C41 H41 0.9300 . ?
C42 C43 1.371(4) . ?
C42 C45 1.506(4) . ?
C43 C44 1.411(4) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C45 O16 1.225(4) . ?
C45 O15 1.246(4) . ?
C46 O17 1.225(3) . ?
C46 N4 1.480(3) . ?
C46 H46 0.9300 . ?
C47 N4 1.492(4) . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 N4 1.524(3) . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 O18 1.202(4) . ?
C49 N5 1.467(4) . ?
C49 H49 0.9300 . ?
C50 N5 1.515(4) . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 N5 1.510(3) . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
N2 C39 1.478(4) 2_545 ?
N3 C20 1.518(4) 2_656 ?
O1 Zn2 1.916(2) . ?
O1 Zn4 1.9249(19) . ?
O1 Zn1 1.930(2) . ?
O1 Zn3 1.9791(19) . ?
O2 Zn1 1.914(2) . ?
O5 Zn4 1.953(2) 1_655 ?
O6 Zn2 1.862(2) 1_655 ?
O7 Zn3 2.084(2) . ?
O8 Zn2 1.946(2) . ?
O10 Zn4 1.9376(19) . ?
O12 Zn1 1.9700(19) . ?
O13 Zn2 1.9592(19) . ?
O15 Zn4 1.843(2) . ?
O17 Zn3 2.003(2) . ?
O18 Zn3 2.163(2) . ?
Zn1 O16 2.0614(19) . ?
Zn1 Zn2 3.1188(6) . ?
Zn1 Zn4 3.1328(5) . ?
Zn2 O6 1.862(2) 1_455 ?
Zn2 Zn4 3.1175(5) . ?
Zn3 O11 2.045(2) . ?
Zn4 O5 1.953(2) 1_455 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O3 C1 C2 C7 27.7(4) . . . . ?
O2 C1 C2 C7 -148.3(3) . . . . ?
O3 C1 C2 C3 -148.0(3) . . . . ?
O2 C1 C2 C3 36.0(4) . . . . ?
C7 C2 C3 C4 0.9(4) . . . . ?
C1 C2 C3 C4 176.8(3) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
C3 C4 C5 C6 0.4(5) . . . . ?
C3 C4 C5 C8 179.5(3) . . . . ?
C4 C5 C6 C7 0.0(5) . . . . ?
C8 C5 C6 C7 -179.1(3) . . . . ?
C3 C2 C7 C6 -0.5(5) . . . . ?
C1 C2 C7 C6 -176.1(3) . . . . ?
C5 C6 C7 C2 0.0(5) . . . . ?
C6 C5 C8 O4 108.1(3) . . . . ?
C4 C5 C8 O4 -71.0(4) . . . . ?
C6 C5 C8 N1 -70.2(4) . . . . ?
C4 C5 C8 N1 110.7(3) . . . . ?
C14 C9 C10 C11 -0.4(4) . . . . ?
N1 C9 C10 C11 -179.5(3) . . . . ?
C9 C10 C11 C12 0.8(4) . . . . ?
C10 C11 C12 C13 -0.7(4) . . . . ?
C10 C11 C12 C15 177.9(3) . . . . ?
C11 C12 C13 C14 0.2(4) . . . . ?
C15 C12 C13 C14 -178.4(3) . . . . ?
C12 C13 C14 C9 0.2(5) . . . . ?
C10 C9 C14 C13 -0.1(5) . . . . ?
N1 C9 C14 C13 179.1(3) . . . . ?
C11 C12 C15 O5 -12.5(4) . . . . ?
C13 C12 C15 O5 166.1(3) . . . . ?
C11 C12 C15 O6 162.7(3) . . . . ?
C13 C12 C15 O6 -18.7(4) . . . . ?
O8 C16 C17 C18 -85.6(4) . . . . ?
O7 C16 C17 C18 98.4(4) . . . . ?
O8 C16 C17 C22 94.0(4) . . . . ?
O7 C16 C17 C22 -81.9(4) . . . . ?
C22 C17 C18 C19 0.2(5) . . . . ?
C16 C17 C18 C19 179.9(3) . . . . ?
C17 C18 C19 C20 -0.1(5) . . . . ?
C18 C19 C20 C21 0.3(5) . . . . ?
C18 C19 C20 N3 -175.6(3) . . . 2_646 ?
C19 C20 C21 C22 -0.7(5) . . . . ?
N3 C20 C21 C22 175.2(3) 2_646 . . . ?
C20 C21 C22 C17 0.9(5) . . . . ?
C18 C17 C22 C21 -0.6(5) . . . . ?
C16 C17 C22 C21 179.7(3) . . . . ?
O9 C23 C24 C29 94.6(4) . . . . ?
N3 C23 C24 C29 -85.8(4) . . . . ?
O9 C23 C24 C25 -87.3(4) . . . . ?
N3 C23 C24 C25 92.3(4) . . . . ?
C29 C24 C25 C26 1.9(5) . . . . ?
C23 C24 C25 C26 -176.3(3) . . . . ?
C24 C25 C26 C27 -1.8(5) . . . . ?
C25 C26 C27 C28 1.0(5) . . . . ?
C25 C26 C27 C30 -175.1(3) . . . . ?
C26 C27 C28 C29 -0.5(5) . . . . ?
C30 C27 C28 C29 175.5(3) . . . . ?
C25 C24 C29 C28 -1.3(5) . . . . ?
C23 C24 C29 C28 176.9(3) . . . . ?
C27 C28 C29 C24 0.6(5) . . . . ?
C26 C27 C30 O11 -175.4(3) . . . . ?
C28 C27 C30 O11 8.5(5) . . . . ?
C26 C27 C30 O10 2.3(5) . . . . ?
C28 C27 C30 O10 -173.8(3) . . . . ?
O13 C31 C32 C33 -1.0(4) . . . . ?
O12 C31 C32 C33 179.3(3) . . . . ?
O13 C31 C32 C37 -178.4(3) . . . . ?
O12 C31 C32 C37 1.8(4) . . . . ?
C37 C32 C33 C34 -0.1(4) . . . . ?
C31 C32 C33 C34 -177.5(3) . . . . ?
C32 C33 C34 C35 -0.2(4) . . . . ?
C33 C34 C35 C36 0.3(5) . . . . ?
C33 C34 C35 C38 177.5(3) . . . . ?
C34 C35 C36 C37 -0.1(5) . . . . ?
C38 C35 C36 C37 -177.2(3) . . . . ?
C33 C32 C37 C36 0.3(4) . . . . ?
C31 C32 C37 C36 177.7(3) . . . . ?
C35 C36 C37 C32 -0.2(4) . . . . ?
C34 C35 C38 N2 154.4(3) . . . . ?
C36 C35 C38 N2 -28.4(5) . . . . ?
C34 C35 C38 O14 -27.7(6) . . . . ?
C36 C35 C38 O14 149.5(4) . . . . ?
C44 C39 C40 C41 -1.3(5) . . . . ?
N2 C39 C40 C41 -176.0(3) 2 . . . ?
C39 C40 C41 C42 1.4(5) . . . . ?
C40 C41 C42 C43 -0.3(5) . . . . ?
C40 C41 C42 C45 -179.8(3) . . . . ?
C41 C42 C43 C44 -1.1(5) . . . . ?
C45 C42 C43 C44 178.5(3) . . . . ?
C40 C39 C44 C43 0.0(5) . . . . ?
N2 C39 C44 C43 174.7(3) 2 . . . ?
C42 C43 C44 C39 1.2(5) . . . . ?
C43 C42 C45 O16 -175.0(3) . . . . ?
C41 C42 C45 O16 4.6(4) . . . . ?
C43 C42 C45 O15 1.2(5) . . . . ?
C41 C42 C45 O15 -179.2(3) . . . . ?
O4 C8 N1 C9 0.9(4) . . . . ?
C5 C8 N1 C9 179.2(2) . . . . ?
C10 C9 N1 C8 111.0(3) . . . . ?
C14 C9 N1 C8 -68.1(4) . . . . ?
O14 C38 N2 C39 6.5(4) . . . 2_545 ?
C35 C38 N2 C39 -175.1(3) . . . 2_545 ?
O9 C23 N3 C20 4.0(4) . . . 2_656 ?
C24 C23 N3 C20 -175.6(3) . . . 2_656 ?
O17 C46 N4 C47 -178.3(3) . . . . ?
O17 C46 N4 C48 -4.0(4) . . . . ?
O18 C49 N5 C51 12.8(4) . . . . ?
O18 C49 N5 C50 -163.8(3) . . . . ?
O3 C1 O2 Zn1 6.2(3) . . . . ?
C2 C1 O2 Zn1 -177.72(19) . . . . ?
O6 C15 O5 Zn4 6.7(4) . . . 1_655 ?
C12 C15 O5 Zn4 -178.27(19) . . . 1_655 ?
O5 C15 O6 Zn2 1.9(5) . . . 1_655 ?
C12 C15 O6 Zn2 -173.2(2) . . . 1_655 ?
O8 C16 O7 Zn3 3.3(6) . . . . ?
C17 C16 O7 Zn3 178.8(2) . . . . ?
O7 C16 O8 Zn2 4.6(5) . . . . ?
C17 C16 O8 Zn2 -170.9(2) . . . . ?
O11 C30 O10 Zn4 -9.7(5) . . . . ?
C27 C30 O10 Zn4 172.8(2) . . . . ?
O13 C31 O12 Zn1 7.9(5) . . . . ?
C32 C31 O12 Zn1 -172.33(19) . . . . ?
O12 C31 O13 Zn2 14.5(4) . . . . ?
C32 C31 O13 Zn2 -165.27(19) . . . . ?
O16 C45 O15 Zn4 -7.2(5) . . . . ?
C42 C45 O15 Zn4 176.7(2) . . . . ?
N4 C46 O17 Zn3 177.7(2) . . . . ?
N5 C49 O18 Zn3 171.75(18) . . . . ?
C1 O2 Zn1 O1 34.6(2) . . . . ?
C1 O2 Zn1 O12 -93.6(2) . . . . ?
C1 O2 Zn1 O16 160.53(19) . . . . ?
C1 O2 Zn1 Zn2 -8.1(2) . . . . ?
C1 O2 Zn1 Zn4 77.5(2) . . . . ?
Zn2 O1 Zn1 O2 -124.13(10) . . . . ?
Zn4 O1 Zn1 O2 118.10(10) . . . . ?
Zn3 O1 Zn1 O2 -1.12(13) . . . . ?
Zn2 O1 Zn1 O12 3.48(12) . . . . ?
Zn4 O1 Zn1 O12 -114.28(10) . . . . ?
Zn3 O1 Zn1 O12 126.49(9) . . . . ?
Zn2 O1 Zn1 O16 114.88(9) . . . . ?
Zn4 O1 Zn1 O16 -2.88(12) . . . . ?
Zn3 O1 Zn1 O16 -122.11(9) . . . . ?
Zn4 O1 Zn1 Zn2 -117.76(14) . . . . ?
Zn3 O1 Zn1 Zn2 123.01(14) . . . . ?
Zn2 O1 Zn1 Zn4 117.76(14) . . . . ?
Zn3 O1 Zn1 Zn4 -119.23(14) . . . . ?
C31 O12 Zn1 O2 117.2(3) . . . . ?
C31 O12 Zn1 O1 -17.3(3) . . . . ?
C31 O12 Zn1 O16 -136.2(3) . . . . ?
C31 O12 Zn1 Zn2 -15.2(3) . . . . ?
C31 O12 Zn1 Zn4 -55.0(3) . . . . ?
O15 C45 O16 Zn1 -3.2(4) . . . . ?
C42 C45 O16 Zn1 172.9(2) . . . . ?
O2 Zn1 O16 C45 -124.1(2) . . . . ?
O1 Zn1 O16 C45 7.4(3) . . . . ?
O12 Zn1 O16 C45 124.3(2) . . . . ?
Zn2 Zn1 O16 C45 46.3(3) . . . . ?
Zn4 Zn1 O16 C45 5.7(2) . . . . ?
Zn4 O1 Zn2 O6 11.58(12) . . . 1_455 ?
Zn1 O1 Zn2 O6 -106.32(10) . . . 1_455 ?
Zn3 O1 Zn2 O6 131.43(10) . . . 1_455 ?
Zn4 O1 Zn2 O8 -116.70(10) . . . . ?
Zn1 O1 Zn2 O8 125.41(10) . . . . ?
Zn3 O1 Zn2 O8 3.16(14) . . . . ?
Zn4 O1 Zn2 O13 128.08(9) . . . . ?
Zn1 O1 Zn2 O13 10.18(12) . . . . ?
Zn3 O1 Zn2 O13 -112.07(10) . . . . ?
Zn1 O1 Zn2 Zn4 -117.90(13) . . . . ?
Zn3 O1 Zn2 Zn4 119.85(15) . . . . ?
Zn4 O1 Zn2 Zn1 117.90(13) . . . . ?
Zn3 O1 Zn2 Zn1 -122.25(15) . . . . ?
C16 O8 Zn2 O6 -135.1(2) . . . 1_455 ?
C16 O8 Zn2 O1 -7.6(3) . . . . ?
C16 O8 Zn2 O13 116.1(2) . . . . ?
C16 O8 Zn2 Zn4 -49.9(3) . . . . ?
C16 O8 Zn2 Zn1 34.3(3) . . . . ?
C31 O13 Zn2 O6 95.1(2) . . . 1_455 ?
C31 O13 Zn2 O1 -23.8(3) . . . . ?
C31 O13 Zn2 O8 -151.4(2) . . . . ?
C31 O13 Zn2 Zn4 14.1(3) . . . . ?
C31 O13 Zn2 Zn1 -17.8(2) . . . . ?
O2 Zn1 Zn2 O6 171.42(10) . . . 1_455 ?
O1 Zn1 Zn2 O6 88.36(11) . . . 1_455 ?
O12 Zn1 Zn2 O6 -88.23(8) . . . 1_455 ?
O16 Zn1 Zn2 O6 4.66(9) . . . 1_455 ?
Zn4 Zn1 Zn2 O6 51.80(6) . . . 1_455 ?
O2 Zn1 Zn2 O1 83.06(12) . . . . ?
O12 Zn1 Zn2 O1 -176.59(11) . . . . ?
O16 Zn1 Zn2 O1 -83.70(12) . . . . ?
Zn4 Zn1 Zn2 O1 -36.56(10) . . . . ?
O2 Zn1 Zn2 O8 2.32(11) . . . . ?
O1 Zn1 Zn2 O8 -80.74(12) . . . . ?
O12 Zn1 Zn2 O8 102.67(10) . . . . ?
O16 Zn1 Zn2 O8 -164.44(10) . . . . ?
Zn4 Zn1 Zn2 O8 -117.29(8) . . . . ?
O2 Zn1 Zn2 O13 -87.48(10) . . . . ?
O1 Zn1 Zn2 O13 -170.54(11) . . . . ?
O12 Zn1 Zn2 O13 12.86(8) . . . . ?
O16 Zn1 Zn2 O13 105.75(8) . . . . ?
Zn4 Zn1 Zn2 O13 152.90(6) . . . . ?
O2 Zn1 Zn2 Zn4 119.62(8) . . . . ?
O1 Zn1 Zn2 Zn4 36.56(10) . . . . ?
O12 Zn1 Zn2 Zn4 -140.03(6) . . . . ?
O16 Zn1 Zn2 Zn4 -47.15(6) . . . . ?
Zn2 O1 Zn3 O17 115.3(3) . . . . ?
Zn4 O1 Zn3 O17 -124.9(2) . . . . ?
Zn1 O1 Zn3 O17 -5.6(3) . . . . ?
Zn2 O1 Zn3 O11 -96.31(11) . . . . ?
Zn4 O1 Zn3 O11 23.47(12) . . . . ?
Zn1 O1 Zn3 O11 142.74(9) . . . . ?
Zn2 O1 Zn3 O7 1.36(11) . . . . ?
Zn4 O1 Zn3 O7 121.14(10) . . . . ?
Zn1 O1 Zn3 O7 -119.58(9) . . . . ?
Zn2 O1 Zn3 O18 176.19(11) . . . . ?
Zn4 O1 Zn3 O18 -64.04(10) . . . . ?
Zn1 O1 Zn3 O18 55.24(9) . . . . ?
C46 O17 Zn3 O1 -81.7(4) . . . . ?
C46 O17 Zn3 O11 129.3(2) . . . . ?
C46 O17 Zn3 O7 33.8(2) . . . . ?
C46 O17 Zn3 O18 -141.9(2) . . . . ?
C16 O7 Zn3 O1 -6.5(3) . . . . ?
C16 O7 Zn3 O17 -171.0(3) . . . . ?
C16 O7 Zn3 O11 96.4(3) . . . . ?
C16 O7 Zn3 O18 -122.2(7) . . . . ?
C49 O18 Zn3 O1 177.3(2) . . . . ?
C49 O18 Zn3 O17 -17.6(2) . . . . ?
C49 O18 Zn3 O11 75.3(2) . . . . ?
C49 O18 Zn3 O7 -66.4(8) . . . . ?
O10 C30 O11 Zn3 38.6(5) . . . . ?
C27 C30 O11 Zn3 -144.1(2) . . . . ?
O1 Zn3 O11 C30 -45.0(3) . . . . ?
O17 Zn3 O11 C30 126.1(3) . . . . ?
O7 Zn3 O11 C30 -145.5(3) . . . . ?
O18 Zn3 O11 C30 38.1(3) . . . . ?
C45 O15 Zn4 O1 10.3(3) . . . . ?
C45 O15 Zn4 O10 141.5(3) . . . . ?
C45 O15 Zn4 O5 -108.5(3) . . . 1_455 ?
C45 O15 Zn4 Zn2 -26.5(4) . . . . ?
C45 O15 Zn4 Zn1 8.9(3) . . . . ?
Zn2 O1 Zn4 O15 -119.98(10) . . . . ?
Zn1 O1 Zn4 O15 -2.30(12) . . . . ?
Zn3 O1 Zn4 O15 118.16(10) . . . . ?
Zn2 O1 Zn4 O10 111.73(10) . . . . ?
Zn1 O1 Zn4 O10 -130.59(10) . . . . ?
Zn3 O1 Zn4 O10 -10.13(14) . . . . ?
Zn2 O1 Zn4 O5 -7.30(12) . . . 1_455 ?
Zn1 O1 Zn4 O5 110.37(10) . . . 1_455 ?
Zn3 O1 Zn4 O5 -129.16(10) . . . 1_455 ?
Zn1 O1 Zn4 Zn2 117.67(13) . . . . ?
Zn3 O1 Zn4 Zn2 -121.86(14) . . . . ?
Zn2 O1 Zn4 Zn1 -117.67(13) . . . . ?
Zn3 O1 Zn4 Zn1 120.47(15) . . . . ?
C30 O10 Zn4 O15 -129.9(2) . . . . ?
C30 O10 Zn4 O1 -3.1(3) . . . . ?
C30 O10 Zn4 O5 120.5(2) . . . 1_455 ?
C30 O10 Zn4 Zn2 37.8(3) . . . . ?
C30 O10 Zn4 Zn1 -42.0(3) . . . . ?
O6 Zn2 Zn4 O15 -92.04(10) 1_455 . . . ?
O1 Zn2 Zn4 O15 76.54(12) . . . . ?
O8 Zn2 Zn4 O15 164.66(12) . . . . ?
O13 Zn2 Zn4 O15 3.23(12) . . . . ?
Zn1 Zn2 Zn4 O15 39.85(8) . . . . ?
O6 Zn2 Zn4 O1 -168.58(12) 1_455 . . . ?
O8 Zn2 Zn4 O1 88.13(13) . . . . ?
O13 Zn2 Zn4 O1 -73.31(13) . . . . ?
Zn1 Zn2 Zn4 O1 -36.69(10) . . . . ?
O6 Zn2 Zn4 O10 101.49(10) 1_455 . . . ?
O1 Zn2 Zn4 O10 -89.93(13) . . . . ?
O8 Zn2 Zn4 O10 -1.80(12) . . . . ?
O13 Zn2 Zn4 O10 -163.24(12) . . . . ?
Zn1 Zn2 Zn4 O10 -126.62(8) . . . . ?
O6 Zn2 Zn4 O5 4.46(8) 1_455 . . 1_455 ?
O1 Zn2 Zn4 O5 173.04(11) . . . 1_455 ?
O8 Zn2 Zn4 O5 -98.83(11) . . . 1_455 ?
O13 Zn2 Zn4 O5 99.73(10) . . . 1_455 ?
Zn1 Zn2 Zn4 O5 136.36(6) . . . 1_455 ?
O6 Zn2 Zn4 Zn1 -131.89(6) 1_455 . . . ?
O1 Zn2 Zn4 Zn1 36.69(10) . . . . ?
O8 Zn2 Zn4 Zn1 124.81(9) . . . . ?
O13 Zn2 Zn4 Zn1 -36.62(8) . . . . ?
O2 Zn1 Zn4 O15 89.59(10) . . . . ?
O1 Zn1 Zn4 O15 177.72(12) . . . . ?
O12 Zn1 Zn4 O15 -100.15(9) . . . . ?
O16 Zn1 Zn4 O15 -5.01(8) . . . . ?
Zn2 Zn1 Zn4 O15 -145.64(6) . . . . ?
O2 Zn1 Zn4 O1 -88.14(13) . . . . ?
O12 Zn1 Zn4 O1 82.13(12) . . . . ?
O16 Zn1 Zn4 O1 177.27(12) . . . . ?
Zn2 Zn1 Zn4 O1 36.64(10) . . . . ?
O2 Zn1 Zn4 O10 -14.87(12) . . . . ?
O1 Zn1 Zn4 O10 73.26(13) . . . . ?
O12 Zn1 Zn4 O10 155.39(11) . . . . ?
O16 Zn1 Zn4 O10 -109.47(10) . . . . ?
Zn2 Zn1 Zn4 O10 109.90(9) . . . . ?
O2 Zn1 Zn4 O5 -175.25(10) . . . 1_455 ?
O1 Zn1 Zn4 O5 -87.11(12) . . . 1_455 ?
O12 Zn1 Zn4 O5 -4.99(9) . . . 1_455 ?
O16 Zn1 Zn4 O5 90.16(9) . . . 1_455 ?
Zn2 Zn1 Zn4 O5 -50.47(7) . . . 1_455 ?
O2 Zn1 Zn4 Zn2 -124.78(8) . . . . ?
O1 Zn1 Zn4 Zn2 -36.64(10) . . . . ?
O12 Zn1 Zn4 Zn2 45.48(6) . . . . ?
O16 Zn1 Zn4 Zn2 140.63(6) . . . . ?
