#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:18:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180033 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/27/7032719.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_7032719
loop_
_publ_author_name
'Liu, Jian-Jun'
'Wang, Yao'
'Hong, Yu-Jian'
'Lin, Mei-Jin'
'Huang, Chang-Cang'
'Dai, Wen-Xin'
_publ_section_title
;
 A photochromic naphthalene diimide coordination network sensitized by
 polyoxometalates.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17908
_journal_page_last               17911
_journal_paper_doi               10.1039/c4dt02641a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C68 H60 F N12 O14 Zn2, Mo12 O40 P'
_chemical_formula_sum            'C68 H60 F Mo12 N12 O54 P Zn2'
_chemical_formula_weight         3241.27
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 132.800(18)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.693(4)
_cell_length_b                   16.245(3)
_cell_length_c                   26.761(8)
_cell_measurement_reflns_used    20525
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      27.5865
_cell_measurement_theta_min      3.5807
_cell_volume                     6282(3)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2004)'
_computing_publication_material  'SHELXL97 and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Saturn 724 CCD area-detector'
_diffrn_measurement_method       ω
_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  0.0795
_diffrn_reflns_av_unetI/netI     0.0703
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            52158
_diffrn_reflns_theta_full        27.60
_diffrn_reflns_theta_max         27.60
_diffrn_reflns_theta_min         3.58
_exptl_absorpt_coefficient_mu    1.624
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7187
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear; Rigaku Inc., 2007'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3144
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_platon_squeeze_details
;
The mixed solvent was used when synthesis, 
so content of the solvent is unable to provide precise.
Combined with TGA data and volume/count_electrons analysis, 
there are approximately twelve NMP molecules per unit cell was squeezed
;
_refine_diff_density_max         1.663
_refine_diff_density_min         -1.446
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     681
_refine_ls_number_reflns         14511
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.1089
_refine_ls_R_factor_gt           0.0914
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0735P)²+107.5059P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2212
_refine_ls_wR_factor_ref         0.2318
_reflns_number_gt                12011
_reflns_number_total             14511
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt02641a2.cif
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032719.cif.
;
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7032719
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mo1 Mo 0.15863(8) 0.17971(5) 0.30471(5) 0.0395(2) Uani 1 1 d .
Mo2 Mo 0.22587(7) 0.02414(6) 0.41502(5) 0.0342(2) Uani 1 1 d .
Mo3 Mo 0.06418(8) 0.16286(5) 0.37392(5) 0.0373(2) Uani 1 1 d .
Mo4 Mo 0.05038(6) -0.12838(5) 0.37084(4) 0.02724(19) Uani 1 1 d .
Mo5 Mo -0.12309(7) 0.01013(5) 0.30425(5) 0.0326(2) Uani 1 1 d .
Mo6 Mo -0.15273(6) -0.14522(5) 0.20525(4) 0.02685(19) Uani 1 1 d .
Zn1 Zn 0.5000 0.60209(10) 0.2500 0.0298(3) Uani 1 2 d S
Zn2 Zn 0.5000 0.84836(11) 0.2500 0.0354(4) Uani 1 2 d S
F1 F 0.5000 0.7254(5) 0.2500 0.0341(18) Uani 1 2 d S
P1 P 0.0000 0.01705(19) 0.2500 0.0231(6) Uani 1 2 d S
O1 O 0.5000 0.4657(6) 0.2500 0.042(3) Uani 1 2 d S
O2 O 0.5000 0.9798(8) 0.2500 0.055(3) Uani 1 2 d S
O3 O 0.0669(6) 0.5747(5) -0.0634(4) 0.0415(18) Uani 1 1 d .
O4 O 0.2831(6) 0.6051(5) -0.0779(5) 0.051(2) Uani 1 1 d .
O5 O 0.9171(6) 0.6330(5) 0.3588(5) 0.048(2) Uani 1 1 d .
O6 O 0.7144(5) 0.5996(5) 0.1288(4) 0.046(2) Uani 1 1 d .
O7 O 0.3571(5) 0.8426(5) 0.1933(4) 0.0375(17) Uani 1 1 d .
O8 O 0.5271(6) 0.8446(6) 0.3412(4) 0.050(2) Uani 1 1 d .
O9 O 0.2309(7) 0.2476(5) 0.3149(5) 0.050(2) Uani 1 1 d .
O10 O 0.1706(6) 0.0887(5) 0.2612(4) 0.0390(17) Uani 1 1 d .
O11 O 0.2507(5) 0.1107(4) 0.3854(4) 0.0362(17) Uani 1 1 d .
O12 O 0.1300(6) 0.2249(5) 0.3518(4) 0.0450(19) Uani 1 1 d .
O13 O 0.3267(7) 0.0054(6) 0.4929(4) 0.051(2) Uani 1 1 d .
O14 O 0.1739(6) 0.1066(4) 0.4368(4) 0.0407(18) Uani 1 1 d .
O15 O 0.0698(7) 0.2348(5) 0.4214(5) 0.050(2) Uani 1 1 d .
O16 O -0.0468(6) 0.2005(4) 0.2804(4) 0.0432(19) Uani 1 1 d .
O17 O 0.0781(5) 0.0717(4) 0.3099(3) 0.0285(14) Uani 1 1 d .
O18 O 0.1407(5) -0.0511(4) 0.4116(4) 0.0338(15) Uani 1 1 d .
O19 O -0.0114(6) 0.0850(4) 0.3638(4) 0.0361(17) Uani 1 1 d .
O20 O 0.0974(5) -0.1997(4) 0.4314(3) 0.0338(16) Uani 1 1 d .
O21 O -0.0261(5) -0.0722(4) 0.3747(4) 0.0338(16) Uani 1 1 d .
O22 O -0.0374(5) -0.0375(4) 0.2726(3) 0.0279(14) Uani 1 1 d .
O23 O -0.1759(6) 0.0302(4) 0.3321(4) 0.0423(19) Uani 1 1 d .
O24 O -0.0636(5) -0.1900(4) 0.2904(3) 0.0292(14) Uani 1 1 d .
O25 O -0.1875(5) -0.0772(5) 0.2478(4) 0.0342(16) Uani 1 1 d .
O26 O -0.0965(5) -0.1656(4) 0.1734(3) 0.0284(14) Uani 1 1 d .
O27 O -0.2180(5) -0.0543(4) 0.1385(4) 0.0322(15) Uani 1 1 d .
O28 O -0.2371(5) -0.2146(4) 0.1663(4) 0.0329(15) Uani 1 1 d .
N1 N 0.3894(6) 0.5979(5) 0.1407(5) 0.0344(19) Uani 1 1 d .
N2 N 0.1737(6) 0.5935(5) -0.0723(5) 0.0358(19) Uani 1 1 d .
N3 N 0.6007(6) 0.6029(5) 0.2421(4) 0.0313(18) Uani 1 1 d .
N4 N 0.8150(6) 0.6207(5) 0.2432(5) 0.0313(18) Uani 1 1 d .
N5 N 0.2022(6) 0.8609(6) 0.1135(5) 0.038(2) Uani 1 1 d .
N6 N 0.5248(10) 0.8476(9) 0.4225(7) 0.067(4) Uani 1 1 d .
C1 C 0.3809(9) 0.5375(8) 0.1044(6) 0.047(3) Uani 1 1 d .
H1 H 0.4262 0.4952 0.1277 0.057 Uiso 1 1 calc R
C2 C 0.3103(10) 0.5311(8) 0.0343(7) 0.054(3) Uani 1 1 d .
H2 H 0.3064 0.4860 0.0098 0.065 Uiso 1 1 calc R
C3 C 0.2461(7) 0.5939(7) 0.0022(5) 0.037(2) Uani 1 1 d .
C4 C 0.2539(9) 0.6544(8) 0.0395(6) 0.051(3) Uani 1 1 d .
H4 H 0.2073 0.6955 0.0181 0.061 Uiso 1 1 calc R
C5 C 0.3277(8) 0.6577(7) 0.1078(6) 0.044(3) Uani 1 1 d .
H5 H 0.3351 0.7043 0.1325 0.053 Uiso 1 1 calc R
C6 C 0.0816(7) 0.5843(6) -0.1006(6) 0.034(2) Uani 1 1 d .
C7 C 0.0098(8) 0.5879(6) -0.1758(6) 0.034(2) Uani 1 1 d .
C8 C -0.0810(7) 0.5863(6) -0.2069(6) 0.034(2) Uani 1 1 d .
H8 H -0.0968 0.5840 -0.1804 0.041 Uiso 1 1 calc R
C9 C 0.0353(7) 0.5899(5) -0.2140(5) 0.029(2) Uani 1 1 d .
C10 C 0.1281(7) 0.5899(6) -0.1831(5) 0.030(2) Uani 1 1 d .
C11 C 0.1507(9) 0.5881(7) -0.2218(6) 0.041(3) Uani 1 1 d .
H11 H 0.2139 0.5881 -0.2000 0.049 Uiso 1 1 calc R
C12 C 0.2022(8) 0.5968(6) -0.1073(6) 0.038(2) Uani 1 1 d .
C13 C 0.6034(7) 0.6664(6) 0.2108(6) 0.036(2) Uani 1 1 d .
H13 H 0.5567 0.7074 0.1892 0.043 Uiso 1 1 calc R
C14 C 0.6713(7) 0.6735(7) 0.2093(6) 0.039(3) Uani 1 1 d .
H14 H 0.6708 0.7183 0.1862 0.046 Uiso 1 1 calc R
C15 C 0.7419(8) 0.6137(7) 0.2424(6) 0.038(2) Uani 1 1 d .
C16 C 0.7355(8) 0.5481(7) 0.2718(7) 0.046(3) Uani 1 1 d .
H16 H 0.7801 0.5052 0.2930 0.055 Uiso 1 1 calc R
C17 C 0.6644(8) 0.5452(7) 0.2702(7) 0.045(3) Uani 1 1 d .
H17 H 0.6610 0.4993 0.2904 0.055 Uiso 1 1 calc R
C18 C 0.9058(8) 0.6273(6) 0.3086(7) 0.039(3) Uani 1 1 d .
C19 C 0.9837(7) 0.6273(6) 0.3108(6) 0.031(2) Uani 1 1 d .
C20 C 1.0716(7) 0.6262(6) 0.3721(5) 0.030(2) Uani 1 1 d .
H20 H 1.0836 0.6272 0.4129 0.036 Uiso 1 1 calc R
C21 C 0.9614(7) 0.6241(5) 0.2480(5) 0.0255(19) Uani 1 1 d .
C22 C 0.8702(7) 0.6237(6) 0.1844(6) 0.034(2) Uani 1 1 d .
C23 C 0.8538(8) 0.6235(6) 0.1257(6) 0.036(2) Uani 1 1 d .
H23 H 0.7918 0.6216 0.0828 0.043 Uiso 1 1 calc R
C24 C 0.7928(7) 0.6133(6) 0.1808(6) 0.036(2) Uani 1 1 d .
C25 C 0.2873(7) 0.8798(6) 0.1418(5) 0.032(2) Uani 1 1 d .
C26 C 0.2837(8) 0.9451(8) 0.1026(6) 0.046(3) Uani 1 1 d .
H26A H 0.2967 0.9227 0.0754 0.055 Uiso 1 1 calc R
H26B H 0.3297 0.9884 0.1332 0.055 Uiso 1 1 calc R
C27 C 0.1873(10) 0.9795(8) 0.0567(6) 0.051(3) Uani 1 1 d .
H27A H 0.1639 0.9929 0.0112 0.061 Uiso 1 1 calc R
H27B H 0.1850 1.0296 0.0766 0.061 Uiso 1 1 calc R
C28 C 0.1315(8) 0.9095(7) 0.0523(5) 0.043(3) Uani 1 1 d .
H28A H 0.0849 0.9310 0.0528 0.051 Uiso 1 1 calc R
H28B H 0.0997 0.8764 0.0105 0.051 Uiso 1 1 calc R
C29 C 0.1790(9) 0.7952(7) 0.1367(7) 0.048(3) Uani 1 1 d .
H29A H 0.1566 0.7472 0.1069 0.072 Uiso 1 1 calc R
H29B H 0.1305 0.8143 0.1354 0.072 Uiso 1 1 calc R
H29C H 0.2341 0.7800 0.1835 0.072 Uiso 1 1 calc R
C30 C 0.4934(8) 0.8720(8) 0.3631(7) 0.050(3) Uani 1 1 d .
C31 C 0.4150(10) 0.9298(10) 0.3301(8) 0.065(4) Uani 1 1 d .
H31A H 0.3553 0.9011 0.2950 0.078 Uiso 1 1 calc R
H31B H 0.4198 0.9757 0.3083 0.078 Uiso 1 1 calc R
C32 C 0.4219(12) 0.9612(12) 0.3862(9) 0.075(5) Uani 1 1 d .
H32A H 0.3600 0.9711 0.3700 0.090 Uiso 1 1 calc R
H32B H 0.4589 1.0124 0.4065 0.090 Uiso 1 1 calc R
C33 C 0.4716(15) 0.8889(12) 0.4368(10) 0.095(7) Uani 1 1 d .
H33A H 0.5137 0.9091 0.4844 0.114 Uiso 1 1 calc R
H33B H 0.4263 0.8505 0.4293 0.114 Uiso 1 1 calc R
C34 C 0.5951(14) 0.7881(12) 0.4658(9) 0.090(6) Uani 1 1 d .
H34A H 0.6123 0.7627 0.4425 0.135 Uiso 1 1 calc R
H34B H 0.5722 0.7456 0.4772 0.135 Uiso 1 1 calc R
H34C H 0.6495 0.8148 0.5077 0.135 Uiso 1 1 calc R
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'
Mo Mo -1.6832 0.6857 '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'
P P 0.1023 0.0942 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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
O9 Mo1 O16 104.6(4) . 2
O9 Mo1 O12 104.3(4) . .
O16 Mo1 O12 96.3(4) 2 .
O9 Mo1 O11 98.6(4) . .
O16 Mo1 O11 154.6(3) 2 .
O12 Mo1 O11 87.6(3) . .
O9 Mo1 O10 99.2(4) . .
O16 Mo1 O10 86.0(3) 2 .
O12 Mo1 O10 154.9(3) . .
O11 Mo1 O10 80.3(3) . .
O9 Mo1 O17 169.7(4) . .
O16 Mo1 O17 85.7(3) 2 .
O12 Mo1 O17 74.7(3) . .
O11 Mo1 O17 71.2(3) . .
O10 Mo1 O17 80.7(3) . .
O13 Mo2 O11 103.9(4) . .
O13 Mo2 O27 104.2(4) . 2
O11 Mo2 O27 95.8(3) . 2
O13 Mo2 O14 99.8(4) . .
O11 Mo2 O14 87.2(3) . .
O27 Mo2 O14 154.3(3) 2 .
O13 Mo2 O18 101.2(4) . .
O11 Mo2 O18 153.8(3) . .
O27 Mo2 O18 85.3(3) 2 .
O14 Mo2 O18 81.1(3) . .
O13 Mo2 O17 170.5(3) . .
O11 Mo2 O17 73.5(3) . .
O27 Mo2 O17 85.2(3) 2 .
O14 Mo2 O17 71.1(3) . .
O18 Mo2 O17 80.5(3) . .
O15 Mo3 O19 102.9(4) . .
O15 Mo3 O14 102.8(4) . .
O19 Mo3 O14 97.1(3) . .
O15 Mo3 O16 100.9(4) . .
O19 Mo3 O16 86.5(3) . .
O14 Mo3 O16 154.6(3) . .
O15 Mo3 O12 98.6(4) . .
O19 Mo3 O12 157.1(3) . .
O14 Mo3 O12 85.9(4) . .
O16 Mo3 O12 81.6(3) . .
O15 Mo3 O17 170.1(3) . .
O19 Mo3 O17 86.8(3) . .
O14 Mo3 O17 73.5(3) . .
O16 Mo3 O17 81.6(3) . .
O12 Mo3 O17 72.2(3) . .
O20 Mo4 O18 103.1(3) . .
O20 Mo4 O21 103.1(3) . .
O18 Mo4 O21 97.4(3) . .
O20 Mo4 O26 100.9(3) . 2
O18 Mo4 O26 85.0(3) . 2
O21 Mo4 O26 154.6(3) . 2
O20 Mo4 O24 99.9(3) . .
O18 Mo4 O24 155.0(3) . .
O21 Mo4 O24 86.9(3) . .
O26 Mo4 O24 81.0(3) 2 .
O20 Mo4 O22 171.7(3) . .
O18 Mo4 O22 85.2(3) . .
O21 Mo4 O22 75.4(3) . .
O26 Mo4 O22 79.6(2) 2 .
O24 Mo4 O22 72.0(2) . .
O23 Mo5 O25 103.2(4) . .
O23 Mo5 O10 102.9(4) . 2
O25 Mo5 O10 97.7(3) . 2
O23 Mo5 O19 101.8(3) . .
O25 Mo5 O19 153.6(3) . .
O10 Mo5 O19 84.8(3) 2 .
O23 Mo5 O21 101.1(3) . .
O25 Mo5 O21 86.7(3) . .
O10 Mo5 O21 153.8(3) 2 .
O19 Mo5 O21 80.2(3) . .
O23 Mo5 O22 171.9(3) . .
O25 Mo5 O22 74.0(3) . .
O10 Mo5 O22 85.1(3) 2 .
O19 Mo5 O22 80.1(2) . .
O21 Mo5 O22 71.3(2) . .
O28 Mo6 O26 104.4(3) . .
O28 Mo6 O24 102.4(3) . .
O26 Mo6 O24 97.8(3) . .
O28 Mo6 O27 100.4(3) . .
O26 Mo6 O27 86.6(3) . .
O24 Mo6 O27 154.8(3) . .
O28 Mo6 O25 98.5(3) . .
O26 Mo6 O25 155.5(3) . .
O24 Mo6 O25 85.4(3) . .
O27 Mo6 O25 80.8(3) . .
O28 Mo6 O22 170.1(3) . .
O26 Mo6 O22 85.4(3) . .
O24 Mo6 O22 75.0(3) . .
O27 Mo6 O22 80.7(3) . .
O25 Mo6 O22 72.0(3) . .
F1 Zn1 N3 89.6(2) . 2_655
F1 Zn1 N3 89.6(2) . .
N3 Zn1 N3 179.3(5) 2_655 .
F1 Zn1 N1 91.8(2) . 2_655
N3 Zn1 N1 90.9(3) 2_655 2_655
N3 Zn1 N1 89.1(3) . 2_655
F1 Zn1 N1 91.8(2) . .
N3 Zn1 N1 89.1(3) 2_655 .
N3 Zn1 N1 90.9(3) . .
N1 Zn1 N1 176.4(4) 2_655 .
F1 Zn1 O1 180.000(2) . .
N3 Zn1 O1 90.4(2) 2_655 .
N3 Zn1 O1 90.4(2) . .
N1 Zn1 O1 88.2(2) 2_655 .
N1 Zn1 O1 88.2(2) . .
F1 Zn2 O7 87.5(2) . .
F1 Zn2 O7 87.5(2) . 2_655
O7 Zn2 O7 174.9(4) . 2_655
F1 Zn2 O8 88.3(2) . .
O7 Zn2 O8 89.8(3) . .
O7 Zn2 O8 90.0(3) 2_655 .
F1 Zn2 O8 88.3(2) . 2_655
O7 Zn2 O8 90.0(3) . 2_655
O7 Zn2 O8 89.8(3) 2_655 2_655
O8 Zn2 O8 176.7(5) . 2_655
F1 Zn2 O2 180.000(3) . .
O7 Zn2 O2 92.5(2) . .
O7 Zn2 O2 92.5(2) 2_655 .
O8 Zn2 O2 91.7(2) . .
O8 Zn2 O2 91.7(2) 2_655 .
Zn2 F1 Zn1 180.0 . .
O22 P1 O22 108.5(5) . 2
O22 P1 O17 109.5(3) . .
O22 P1 O17 109.8(4) 2 .
O22 P1 O17 109.8(4) . 2
O22 P1 O17 109.5(3) 2 2
O17 P1 O17 109.6(5) . 2
C25 O7 Zn2 134.5(7) . .
C30 O8 Zn2 138.1(10) . .
Mo5 O10 Mo1 153.0(5) 2 .
Mo2 O11 Mo1 126.3(4) . .
Mo1 O12 Mo3 123.7(4) . .
Mo3 O14 Mo2 125.5(4) . .
Mo1 O16 Mo3 150.8(4) 2 .
P1 O17 Mo3 125.2(4) . .
P1 O17 Mo2 126.0(4) . .
Mo3 O17 Mo2 89.8(2) . .
P1 O17 Mo1 125.9(3) . .
Mo3 O17 Mo1 89.4(2) . .
Mo2 O17 Mo1 88.9(2) . .
Mo4 O18 Mo2 152.5(4) . .
Mo3 O19 Mo5 150.8(4) . .
Mo4 O21 Mo5 124.9(4) . .
P1 O22 Mo4 127.2(4) . .
P1 O22 Mo6 125.9(4) . .
Mo4 O22 Mo6 89.11(19) . .
P1 O22 Mo5 125.7(3) . .
Mo4 O22 Mo5 88.3(2) . .
Mo6 O22 Mo5 88.2(2) . .
Mo6 O24 Mo4 123.9(3) . .
Mo5 O25 Mo6 125.9(4) . .
Mo6 O26 Mo4 151.4(4) . 2
Mo2 O27 Mo6 151.6(4) 2 .
C1 N1 C5 117.5(10) . .
C1 N1 Zn1 122.1(8) . .
C5 N1 Zn1 120.4(7) . .
C12 N2 C6 127.0(9) . .
C12 N2 C3 117.0(9) . .
C6 N2 C3 115.9(9) . .
C17 N3 C13 118.2(8) . .
C17 N3 Zn1 121.9(7) . .
C13 N3 Zn1 119.8(6) . .
C24 N4 C18 125.5(8) . .
C24 N4 C15 118.4(9) . .
C18 N4 C15 115.9(9) . .
C25 N5 C29 124.6(10) . .
C25 N5 C28 112.9(9) . .
C29 N5 C28 122.4(10) . .
C30 N6 C34 126.2(15) . .
C30 N6 C33 109.7(15) . .
C34 N6 C33 124.1(15) . .
N1 C1 C2 124.5(11) . .
N1 C1 H1 117.8 . .
C2 C1 H1 117.8 . .
C3 C2 C1 116.1(11) . .
C3 C2 H2 122.0 . .
C1 C2 H2 122.0 . .
C4 C3 C2 119.2(11) . .
C4 C3 N2 122.2(10) . .
C2 C3 N2 118.6(10) . .
C3 C4 C5 120.7(11) . .
C3 C4 H4 119.7 . .
C5 C4 H4 119.7 . .
N1 C5 C4 121.8(11) . .
N1 C5 H5 119.1 . .
C4 C5 H5 119.1 . .
O3 C6 N2 120.1(10) . .
O3 C6 C7 125.3(10) . .
N2 C6 C7 114.6(9) . .
C8 C7 C9 121.4(10) . .
C8 C7 C6 118.4(10) . .
C9 C7 C6 120.2(10) . .
C7 C8 C11 119.7(10) . 2_554
C7 C8 H8 120.2 . .
C11 C8 H8 120.2 2_554 .
C10 C9 C7 122.3(10) . .
C10 C9 C9 119.0(11) . 2_554
C7 C9 C9 118.7(12) . 2_554
C11 C10 C9 120.9(10) . .
C11 C10 C12 120.3(10) . .
C9 C10 C12 118.7(9) . .
C10 C11 C8 120.3(11) . 2_554
C10 C11 H11 119.8 . .
C8 C11 H11 119.8 2_554 .
O4 C12 N2 121.6(11) . .
O4 C12 C10 121.9(10) . .
N2 C12 C10 116.4(9) . .
N3 C13 C14 122.2(9) . .
N3 C13 H13 118.9 . .
C14 C13 H13 118.9 . .
C13 C14 C15 119.3(10) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
C16 C15 C14 117.2(9) . .
C16 C15 N4 122.3(9) . .
C14 C15 N4 120.5(9) . .
C17 C16 C15 119.7(10) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
N3 C17 C16 123.4(11) . .
N3 C17 H17 118.3 . .
C16 C17 H17 118.3 . .
O5 C18 N4 120.1(10) . .
O5 C18 C19 123.2(11) . .
N4 C18 C19 116.6(9) . .
C20 C19 C21 123.1(9) . .
C20 C19 C18 118.8(10) . .
C21 C19 C18 118.0(9) . .
C19 C20 C23 119.0(10) . 2_755
C19 C20 H20 120.5 . .
C23 C20 H20 120.5 2_755 .
C22 C21 C19 123.2(8) . .
C22 C21 C21 120.2(11) . 2_755
C19 C21 C21 116.5(11) . 2_755
C23 C22 C21 120.1(9) . .
C23 C22 C24 119.8(10) . .
C21 C22 C24 119.7(9) . .
C22 C23 C20 121.0(11) . 2_755
C22 C23 H23 119.5 . .
C20 C23 H23 119.5 2_755 .
O6 C24 N4 120.1(9) . .
O6 C24 C22 123.9(11) . .
N4 C24 C22 116.0(9) . .
O7 C25 N5 122.3(10) . .
O7 C25 C26 128.2(10) . .
N5 C25 C26 109.4(9) . .
C25 C26 C27 105.9(10) . .
C25 C26 H26A 110.5 . .
C27 C26 H26A 110.5 . .
C25 C26 H26B 110.5 . .
C27 C26 H26B 110.5 . .
H26A C26 H26B 108.7 . .
C26 C27 C28 103.3(9) . .
C26 C27 H27A 111.1 . .
C28 C27 H27A 111.1 . .
C26 C27 H27B 111.1 . .
C28 C27 H27B 111.1 . .
H27A C27 H27B 109.1 . .
N5 C28 C27 103.1(9) . .
N5 C28 H28A 111.1 . .
C27 C28 H28A 111.1 . .
N5 C28 H28B 111.2 . .
C27 C28 H28B 111.1 . .
H28A C28 H28B 109.1 . .
N5 C29 H29A 109.5 . .
N5 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
N5 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
O8 C30 N6 120.2(14) . .
O8 C30 C31 128.9(14) . .
N6 C30 C31 110.9(13) . .
C30 C31 C32 105.7(14) . .
C30 C31 H31A 110.6 . .
C32 C31 H31A 110.6 . .
C30 C31 H31B 110.6 . .
C32 C31 H31B 110.6 . .
H31A C31 H31B 108.7 . .
C31 C32 C33 101.1(14) . .
C31 C32 H32A 111.6 . .
C33 C32 H32A 111.6 . .
C31 C32 H32B 111.6 . .
C33 C32 H32B 111.6 . .
H32A C32 H32B 109.4 . .
N6 C33 C32 104.7(13) . .
N6 C33 H33A 110.8 . .
C32 C33 H33A 110.8 . .
N6 C33 H33B 110.8 . .
C32 C33 H33B 110.8 . .
H33A C33 H33B 108.9 . .
N6 C34 H34A 109.5 . .
N6 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N6 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 O9 1.670(8) .
Mo1 O16 1.827(9) 2
Mo1 O12 1.847(8) .
Mo1 O11 1.971(8) .
Mo1 O10 1.993(7) .
Mo1 O17 2.431(6) .
Mo2 O13 1.660(9) .
Mo2 O11 1.837(7) .
Mo2 O27 1.841(7) 2
Mo2 O14 1.998(8) .
Mo2 O18 2.027(7) .
Mo2 O17 2.420(7) .
Mo3 O15 1.674(8) .
Mo3 O19 1.828(7) .
Mo3 O14 1.843(9) .
Mo3 O16 1.995(9) .
Mo3 O12 2.023(8) .
Mo3 O17 2.419(6) .
Mo4 O20 1.670(7) .
Mo4 O18 1.815(7) .
Mo4 O21 1.822(7) .
Mo4 O26 2.015(7) 2
Mo4 O24 2.027(7) .
Mo4 O22 2.429(6) .
Mo5 O23 1.673(7) .
Mo5 O25 1.817(8) .
Mo5 O10 1.829(7) 2
Mo5 O19 2.023(8) .
Mo5 O21 2.024(7) .
Mo5 O22 2.470(7) .
Mo6 O28 1.662(7) .
Mo6 O26 1.827(7) .
Mo6 O24 1.835(6) .
Mo6 O27 1.977(7) .
Mo6 O25 2.011(7) .
Mo6 O22 2.430(7) .
Zn1 F1 2.003(8) .
Zn1 N3 2.132(8) 2_655
Zn1 N3 2.132(8) .
Zn1 N1 2.156(10) 2_655
Zn1 N1 2.156(10) .
Zn1 O1 2.216(10) .
Zn2 F1 1.998(8) .
Zn2 O7 2.104(7) .
Zn2 O7 2.104(7) 2_655
Zn2 O8 2.116(9) .
Zn2 O8 2.116(9) 2_655
Zn2 O2 2.135(12) .
P1 O22 1.517(6) .
P1 O22 1.517(6) 2
P1 O17 1.540(7) .
P1 O17 1.540(7) 2
O3 C6 1.220(12) .
O4 C12 1.213(14) .
O5 C18 1.208(14) .
O6 C24 1.204(13) .
O7 C25 1.256(12) .
O8 C30 1.230(14) .
O10 Mo5 1.829(7) 2
O16 Mo1 1.827(9) 2
O26 Mo4 2.015(7) 2
O27 Mo2 1.841(7) 2
N1 C1 1.309(14) .
N1 C5 1.318(14) .
N2 C12 1.382(14) .
N2 C6 1.421(13) .
N2 C3 1.463(14) .
N3 C17 1.318(14) .
N3 C13 1.351(12) .
N4 C24 1.416(15) .
N4 C18 1.421(15) .
N4 C15 1.429(11) .
N5 C25 1.322(13) .
N5 C29 1.458(13) .
N5 C28 1.465(14) .
N6 C30 1.314(18) .
N6 C34 1.42(2) .
N6 C33 1.50(2) .
C1 C2 1.385(18) .
C1 H1 0.9500 .
C2 C3 1.379(15) .
C2 H2 0.9500 .
C3 C4 1.334(16) .
C4 C5 1.359(17) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 C7 1.478(16) .
C7 C8 1.365(14) .
C7 C9 1.415(14) .
C8 C11 1.404(16) 2_554
C8 H8 0.9500 .
C9 C10 1.403(14) .
C9 C9 1.41(2) 2_554
C10 C11 1.377(15) .
C10 C12 1.496(15) .
C11 C8 1.404(16) 2_554
C11 H11 0.9500 .
C13 C14 1.370(12) .
C13 H13 0.9500 .
C14 C15 1.410(14) .
C14 H14 0.9500 .
C15 C16 1.380(15) .
C16 C17 1.372(13) .
C16 H16 0.9500 .
C17 H17 0.9500 .
C18 C19 1.495(14) .
C19 C20 1.352(15) .
C19 C21 1.420(14) .
C20 C23 1.429(13) 2_755
C20 H20 0.9500 .
C21 C22 1.403(14) .
C21 C21 1.448(16) 2_755
C22 C23 1.372(15) .
C22 C24 1.470(12) .
C23 C20 1.429(13) 2_755
C23 H23 0.9500 .
C25 C26 1.461(15) .
C26 C27 1.502(17) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.529(18) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 C31 1.48(2) .
C31 C32 1.503(19) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.54(3) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
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
O7 Zn2 F1 Zn1 148(100) . .
O7 Zn2 F1 Zn1 -32(100) 2_655 .
O8 Zn2 F1 Zn1 -122(100) . .
O8 Zn2 F1 Zn1 58(100) 2_655 .
O2 Zn2 F1 Zn1 0(100) . .
N3 Zn1 F1 Zn2 176(100) 2_655 .
N3 Zn1 F1 Zn2 -4(100) . .
N1 Zn1 F1 Zn2 85(100) 2_655 .
N1 Zn1 F1 Zn2 -95(100) . .
O1 Zn1 F1 Zn2 0(100) . .
F1 Zn2 O7 C25 -135.9(9) . .
O7 Zn2 O7 C25 -135.9(9) 2_655 .
O8 Zn2 O7 C25 135.7(10) . .
O8 Zn2 O7 C25 -47.6(10) 2_655 .
O2 Zn2 O7 C25 44.1(9) . .
F1 Zn2 O8 C30 -125.1(12) . .
O7 Zn2 O8 C30 -37.6(12) . .
O7 Zn2 O8 C30 147.5(12) 2_655 .
O8 Zn2 O8 C30 -125.1(12) 2_655 .
O2 Zn2 O8 C30 54.9(12) . .
O9 Mo1 O10 Mo5 -131.9(9) . 2
O16 Mo1 O10 Mo5 -27.7(9) 2 2
O12 Mo1 O10 Mo5 68.5(13) . 2
O11 Mo1 O10 Mo5 130.9(9) . 2
O17 Mo1 O10 Mo5 58.6(9) . 2
O13 Mo2 O11 Mo1 -167.1(5) . .
O27 Mo2 O11 Mo1 86.6(5) 2 .
O14 Mo2 O11 Mo1 -67.8(5) . .
O18 Mo2 O11 Mo1 -4.5(10) . .
O17 Mo2 O11 Mo1 3.4(4) . .
O9 Mo1 O11 Mo2 175.3(5) . .
O16 Mo1 O11 Mo2 -28.5(10) 2 .
O12 Mo1 O11 Mo2 71.2(5) . .
O10 Mo1 O11 Mo2 -86.7(5) . .
O17 Mo1 O11 Mo2 -3.4(4) . .
O9 Mo1 O12 Mo3 -168.2(5) . .
O16 Mo1 O12 Mo3 84.9(6) 2 .
O11 Mo1 O12 Mo3 -69.9(5) . .
O10 Mo1 O12 Mo3 -9.0(13) . .
O17 Mo1 O12 Mo3 1.2(5) . .
O15 Mo3 O12 Mo1 175.1(6) . .
O19 Mo3 O12 Mo1 -25.6(12) . .
O14 Mo3 O12 Mo1 72.8(6) . .
O16 Mo3 O12 Mo1 -85.1(6) . .
O17 Mo3 O12 Mo1 -1.2(5) . .
O15 Mo3 O14 Mo2 -168.7(5) . .
O19 Mo3 O14 Mo2 86.3(5) . .
O16 Mo3 O14 Mo2 -10.4(11) . .
O12 Mo3 O14 Mo2 -70.8(5) . .
O17 Mo3 O14 Mo2 1.8(4) . .
O13 Mo2 O14 Mo3 175.3(5) . .
O11 Mo2 O14 Mo3 71.7(5) . .
O27 Mo2 O14 Mo3 -26.0(10) 2 .
O18 Mo2 O14 Mo3 -84.8(5) . .
O17 Mo2 O14 Mo3 -1.8(4) . .
O15 Mo3 O16 Mo1 -130.7(9) . 2
O19 Mo3 O16 Mo1 -28.3(9) . 2
O14 Mo3 O16 Mo1 70.8(13) . 2
O12 Mo3 O16 Mo1 132.0(9) . 2
O17 Mo3 O16 Mo1 59.0(9) . 2
O22 P1 O17 Mo3 -55.4(5) . .
O22 P1 O17 Mo3 -174.5(4) 2 .
O17 P1 O17 Mo3 65.2(3) 2 .
O22 P1 O17 Mo2 65.1(5) . .
O22 P1 O17 Mo2 -54.0(5) 2 .
O17 P1 O17 Mo2 -174.3(5) 2 .
O22 P1 O17 Mo1 -175.1(4) . .
O22 P1 O17 Mo1 65.8(5) 2 .
O17 P1 O17 Mo1 -54.5(3) 2 .
O15 Mo3 O17 P1 -156(2) . .
O19 Mo3 O17 P1 36.3(5) . .
O14 Mo3 O17 P1 134.6(5) . .
O16 Mo3 O17 P1 -50.6(5) . .
O12 Mo3 O17 P1 -134.5(5) . .
O15 Mo3 O17 Mo2 68(2) . .
O19 Mo3 O17 Mo2 -99.6(3) . .
O14 Mo3 O17 Mo2 -1.2(3) . .
O16 Mo3 O17 Mo2 173.5(3) . .
O12 Mo3 O17 Mo2 89.7(3) . .
O15 Mo3 O17 Mo1 -21(2) . .
O19 Mo3 O17 Mo1 171.5(3) . .
O14 Mo3 O17 Mo1 -90.1(3) . .
O16 Mo3 O17 Mo1 84.6(3) . .
O12 Mo3 O17 Mo1 0.8(3) . .
O13 Mo2 O17 P1 -151.6(19) . .
O11 Mo2 O17 P1 133.1(5) . .
O27 Mo2 O17 P1 35.6(4) 2 .
O14 Mo2 O17 P1 -134.1(5) . .
O18 Mo2 O17 P1 -50.4(4) . .
O13 Mo2 O17 Mo3 -16(2) . .
O11 Mo2 O17 Mo3 -91.6(3) . .
O27 Mo2 O17 Mo3 170.9(3) 2 .
O14 Mo2 O17 Mo3 1.1(2) . .
O18 Mo2 O17 Mo3 84.8(2) . .
O13 Mo2 O17 Mo1 73(2) . .
O11 Mo2 O17 Mo1 -2.2(2) . .
O27 Mo2 O17 Mo1 -99.7(3) 2 .
O14 Mo2 O17 Mo1 90.6(3) . .
O18 Mo2 O17 Mo1 174.3(3) . .
O9 Mo1 O17 P1 -140.4(18) . .
O16 Mo1 O17 P1 36.1(5) 2 .
O12 Mo1 O17 P1 133.9(6) . .
O11 Mo1 O17 P1 -133.4(5) . .
O10 Mo1 O17 P1 -50.5(5) . .
O9 Mo1 O17 Mo3 84.8(19) . .
O16 Mo1 O17 Mo3 -98.6(3) 2 .
O12 Mo1 O17 Mo3 -0.8(3) . .
O11 Mo1 O17 Mo3 91.9(3) . .
O10 Mo1 O17 Mo3 174.8(3) . .
O9 Mo1 O17 Mo2 -5.0(19) . .
O16 Mo1 O17 Mo2 171.6(3) 2 .
O12 Mo1 O17 Mo2 -90.7(3) . .
O11 Mo1 O17 Mo2 2.1(2) . .
O10 Mo1 O17 Mo2 85.0(3) . .
O20 Mo4 O18 Mo2 128.3(9) . .
O21 Mo4 O18 Mo2 -126.3(9) . .
O26 Mo4 O18 Mo2 28.2(9) 2 .
O24 Mo4 O18 Mo2 -27.8(14) . .
O22 Mo4 O18 Mo2 -51.7(9) . .
O13 Mo2 O18 Mo4 -132.2(9) . .
O11 Mo2 O18 Mo4 65.0(12) . .
O27 Mo2 O18 Mo4 -28.6(9) 2 .
O14 Mo2 O18 Mo4 129.5(10) . .
O17 Mo2 O18 Mo4 57.4(9) . .
O15 Mo3 O19 Mo5 128.9(8) . .
O14 Mo3 O19 Mo5 -126.3(8) . .
O16 Mo3 O19 Mo5 28.5(8) . .
O12 Mo3 O19 Mo5 -30.1(15) . .
O17 Mo3 O19 Mo5 -53.3(8) . .
O23 Mo5 O19 Mo3 -130.6(8) . .
O25 Mo5 O19 Mo3 68.5(12) . .
O10 Mo5 O19 Mo3 -28.5(8) 2 .
O21 Mo5 O19 Mo3 130.0(8) . .
O22 Mo5 O19 Mo3 57.4(8) . .
O20 Mo4 O21 Mo5 -168.3(4) . .
O18 Mo4 O21 Mo5 86.4(5) . .
O26 Mo4 O21 Mo5 -7.4(10) 2 .
O24 Mo4 O21 Mo5 -68.9(4) . .
O22 Mo4 O21 Mo5 3.3(4) . .
O23 Mo5 O21 Mo4 173.7(5) . .
O25 Mo5 O21 Mo4 70.8(5) . .
O10 Mo5 O21 Mo4 -30.0(10) 2 .
O19 Mo5 O21 Mo4 -86.1(4) . .
O22 Mo5 O21 Mo4 -3.3(4) . .
O22 P1 O22 Mo4 66.8(3) 2 .
O17 P1 O22 Mo4 -53.0(5) . .
O17 P1 O22 Mo4 -173.5(4) 2 .
O22 P1 O22 Mo6 -55.0(3) 2 .
O17 P1 O22 Mo6 -174.8(4) . .
O17 P1 O22 Mo6 64.7(5) 2 .
O22 P1 O22 Mo5 -173.2(6) 2 .
O17 P1 O22 Mo5 66.9(5) . .
O17 P1 O22 Mo5 -53.5(5) 2 .
O20 Mo4 O22 P1 -146.0(19) . .
O18 Mo4 O22 P1 34.1(5) . .
O21 Mo4 O22 P1 133.1(5) . .
O26 Mo4 O22 P1 -51.6(5) 2 .
O24 Mo4 O22 P1 -135.5(5) . .
O20 Mo4 O22 Mo6 -10(2) . .
O18 Mo4 O22 Mo6 170.6(3) . .
O21 Mo4 O22 Mo6 -90.5(3) . .
O26 Mo4 O22 Mo6 84.9(2) 2 .
O24 Mo4 O22 Mo6 1.0(2) . .
O20 Mo4 O22 Mo5 79(2) . .
O18 Mo4 O22 Mo5 -101.2(3) . .
O21 Mo4 O22 Mo5 -2.2(3) . .
O26 Mo4 O22 Mo5 173.1(3) 2 .
O24 Mo4 O22 Mo5 89.2(3) . .
O28 Mo6 O22 P1 -147.8(16) . .
O26 Mo6 O22 P1 36.9(5) . .
O24 Mo6 O22 P1 136.3(5) . .
O27 Mo6 O22 P1 -50.4(5) . .
O25 Mo6 O22 P1 -133.7(5) . .
O28 Mo6 O22 Mo4 74.8(17) . .
O26 Mo6 O22 Mo4 -100.5(3) . .
O24 Mo6 O22 Mo4 -1.1(2) . .
O27 Mo6 O22 Mo4 172.2(3) . .
O25 Mo6 O22 Mo4 88.9(3) . .
O28 Mo6 O22 Mo5 -13.5(18) . .
O26 Mo6 O22 Mo5 171.2(3) . .
O24 Mo6 O22 Mo5 -89.4(3) . .
O27 Mo6 O22 Mo5 83.9(2) . .
O25 Mo6 O22 Mo5 0.7(2) . .
O23 Mo5 O22 P1 -156(2) . .
O25 Mo5 O22 P1 133.7(5) . .
O10 Mo5 O22 P1 34.2(5) 2 .
O19 Mo5 O22 P1 -51.4(5) . .
O21 Mo5 O22 P1 -134.3(5) . .
O23 Mo5 O22 Mo4 -19(2) . .
O25 Mo5 O22 Mo4 -89.9(3) . .
O10 Mo5 O22 Mo4 170.6(3) 2 .
O19 Mo5 O22 Mo4 85.0(3) . .
O21 Mo5 O22 Mo4 2.1(2) . .
O23 Mo5 O22 Mo6 70(2) . .
O25 Mo5 O22 Mo6 -0.7(2) . .
O10 Mo5 O22 Mo6 -100.2(3) 2 .
O19 Mo5 O22 Mo6 174.2(3) . .
O21 Mo5 O22 Mo6 91.2(3) . .
O28 Mo6 O24 Mo4 -168.6(4) . .
O26 Mo6 O24 Mo4 84.7(4) . .
O27 Mo6 O24 Mo4 -14.1(9) . .
O25 Mo6 O24 Mo4 -70.9(4) . .
O22 Mo6 O24 Mo4 1.6(4) . .
O20 Mo4 O24 Mo6 176.8(4) . .
O18 Mo4 O24 Mo6 -26.8(9) . .
O21 Mo4 O24 Mo6 74.0(4) . .
O26 Mo4 O24 Mo6 -83.6(4) 2 .
O22 Mo4 O24 Mo6 -1.6(4) . .
O23 Mo5 O25 Mo6 -171.1(4) . .
O10 Mo5 O25 Mo6 83.7(5) 2 .
O19 Mo5 O25 Mo6 -10.3(10) . .
O21 Mo5 O25 Mo6 -70.4(4) . .
O22 Mo5 O25 Mo6 1.1(4) . .
O28 Mo6 O25 Mo5 176.5(5) . .
O26 Mo6 O25 Mo5 -24.3(10) . .
O24 Mo6 O25 Mo5 74.6(5) . .
O27 Mo6 O25 Mo5 -84.2(5) . .
O22 Mo6 O25 Mo5 -1.1(4) . .
O28 Mo6 O26 Mo4 126.2(8) . 2
O24 Mo6 O26 Mo4 -128.7(8) . 2
O27 Mo6 O26 Mo4 26.3(8) . 2
O25 Mo6 O26 Mo4 -32.5(13) . 2
O22 Mo6 O26 Mo4 -54.6(8) . 2
O28 Mo6 O27 Mo2 -130.1(9) . 2
O26 Mo6 O27 Mo2 -26.0(9) . 2
O24 Mo6 O27 Mo2 75.2(11) . 2
O25 Mo6 O27 Mo2 132.9(9) . 2
O22 Mo6 O27 Mo2 59.9(8) . 2
F1 Zn1 N1 C1 150.0(9) . .
N3 Zn1 N1 C1 -120.4(9) 2_655 .
N3 Zn1 N1 C1 60.4(9) . .
N1 Zn1 N1 C1 -30.0(9) 2_655 .
O1 Zn1 N1 C1 -30.0(9) . .
F1 Zn1 N1 C5 -29.3(9) . .
N3 Zn1 N1 C5 60.3(9) 2_655 .
N3 Zn1 N1 C5 -119.0(9) . .
N1 Zn1 N1 C5 150.7(9) 2_655 .
O1 Zn1 N1 C5 150.7(9) . .
F1 Zn1 N3 C17 147.3(9) . .
N3 Zn1 N3 C17 147.3(9) 2_655 .
N1 Zn1 N3 C17 55.5(10) 2_655 .
N1 Zn1 N3 C17 -120.9(9) . .
O1 Zn1 N3 C17 -32.7(9) . .
F1 Zn1 N3 C13 -28.9(8) . .
N3 Zn1 N3 C13 -28.9(9) 2_655 .
N1 Zn1 N3 C13 -120.7(9) 2_655 .
N1 Zn1 N3 C13 62.9(9) . .
O1 Zn1 N3 C13 151.1(8) . .
C5 N1 C1 C2 -1.9(19) . .
Zn1 N1 C1 C2 178.8(11) . .
N1 C1 C2 C3 0(2) . .
C1 C2 C3 C4 -2(2) . .
C1 C2 C3 N2 175.7(11) . .
C12 N2 C3 C4 117.2(13) . .
C6 N2 C3 C4 -66.8(15) . .
C12 N2 C3 C2 -60.3(15) . .
C6 N2 C3 C2 115.7(12) . .
C2 C3 C4 C5 5(2) . .
N2 C3 C4 C5 -172.6(12) . .
C1 N1 C5 C4 4.9(18) . .
Zn1 N1 C5 C4 -175.7(10) . .
C3 C4 C5 N1 -7(2) . .
C12 N2 C6 O3 173.2(10) . .
C3 N2 C6 O3 -2.3(14) . .
C12 N2 C6 C7 -7.1(15) . .
C3 N2 C6 C7 177.4(8) . .
O3 C6 C7 C8 4.9(16) . .
N2 C6 C7 C8 -174.8(9) . .
O3 C6 C7 C9 -172.8(10) . .
N2 C6 C7 C9 7.5(13) . .
C9 C7 C8 C11 -1.1(15) . 2_554
C6 C7 C8 C11 -178.8(9) . 2_554
C8 C7 C9 C10 -178.7(9) . .
C6 C7 C9 C10 -1.0(14) . .
C8 C7 C9 C9 -0.3(11) . 2_554
C6 C7 C9 C9 177.4(6) . 2_554
C7 C9 C10 C11 177.0(9) . .
C9 C9 C10 C11 -1.4(11) 2_554 .
C7 C9 C10 C12 -6.5(14) . .
C9 C9 C10 C12 175.1(6) 2_554 .
C9 C10 C11 C8 0.0(15) . 2_554
C12 C10 C11 C8 -176.4(9) . 2_554
C6 N2 C12 O4 179.8(10) . .
C3 N2 C12 O4 -4.7(15) . .
C6 N2 C12 C10 0.0(15) . .
C3 N2 C12 C10 175.5(8) . .
C11 C10 C12 O4 3.7(16) . .
C9 C10 C12 O4 -172.8(10) . .
C11 C10 C12 N2 -176.5(9) . .
C9 C10 C12 N2 7.0(13) . .
C17 N3 C13 C14 -1.9(18) . .
Zn1 N3 C13 C14 174.4(9) . .
N3 C13 C14 C15 -1.2(19) . .
C13 C14 C15 C16 3.4(18) . .
C13 C14 C15 N4 -178.4(11) . .
C24 N4 C15 C16 112.0(13) . .
C18 N4 C15 C16 -62.6(15) . .
C24 N4 C15 C14 -66.2(14) . .
C18 N4 C15 C14 119.3(12) . .
C14 C15 C16 C17 -3(2) . .
N4 C15 C16 C17 179.2(12) . .
C13 N3 C17 C16 2.8(19) . .
Zn1 N3 C17 C16 -173.4(11) . .
C15 C16 C17 N3 0(2) . .
C24 N4 C18 O5 -179.7(9) . .
C15 N4 C18 O5 -5.6(14) . .
C24 N4 C18 C19 0.8(14) . .
C15 N4 C18 C19 174.9(8) . .
O5 C18 C19 C20 6.2(15) . .
N4 C18 C19 C20 -174.3(9) . .
O5 C18 C19 C21 -177.0(9) . .
N4 C18 C19 C21 2.4(13) . .
C21 C19 C20 C23 1.4(14) . 2_755
C18 C19 C20 C23 178.0(9) . 2_755
C20 C19 C21 C22 178.8(9) . .
C18 C19 C21 C22 2.1(13) . .
C20 C19 C21 C21 -3.3(11) . 2_755
C18 C19 C21 C21 -179.9(6) . 2_755
C19 C21 C22 C23 177.6(9) . .
C21 C21 C22 C23 -0.2(11) 2_755 .
C19 C21 C22 C24 -9.7(14) . .
C21 C21 C22 C24 172.4(6) 2_755 .
C21 C22 C23 C20 -1.8(15) . 2_755
C24 C22 C23 C20 -174.5(9) . 2_755
C18 N4 C24 O6 172.3(10) . .
C15 N4 C24 O6 -1.7(14) . .
C18 N4 C24 C22 -7.9(14) . .
C15 N4 C24 C22 178.1(9) . .
C23 C22 C24 O6 4.6(16) . .
C21 C22 C24 O6 -168.1(10) . .
C23 C22 C24 N4 -175.2(9) . .
C21 C22 C24 N4 12.1(13) . .
Zn2 O7 C25 N5 176.3(7) . .
Zn2 O7 C25 C26 -0.9(17) . .
C29 N5 C25 O7 -1.3(17) . .
C28 N5 C25 O7 -177.2(9) . .
C29 N5 C25 C26 176.5(11) . .
C28 N5 C25 C26 0.5(13) . .
O7 C25 C26 C27 -168.2(11) . .
N5 C25 C26 C27 14.3(13) . .
C25 C26 C27 C28 -22.2(13) . .
C25 N5 C28 C27 -14.6(12) . .
C29 N5 C28 C27 169.4(10) . .
C26 C27 C28 N5 21.8(11) . .
Zn2 O8 C30 N6 171.7(9) . .
Zn2 O8 C30 C31 -5(2) . .
C34 N6 C30 O8 -2(2) . .
C33 N6 C30 O8 -179.2(11) . .
C34 N6 C30 C31 175.4(14) . .
C33 N6 C30 C31 -1.6(14) . .
O8 C30 C31 C32 -163.5(12) . .
N6 C30 C31 C32 19.1(15) . .
C30 C31 C32 C33 -27.0(15) . .
C30 N6 C33 C32 -16.1(15) . .
C34 N6 C33 C32 166.8(15) . .
C31 C32 C33 N6 26.0(15) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.713 0.500 0.184 2032 705 ' '
