#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:09:29 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229268 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/77/7047776.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_7047776
loop_
_publ_author_name
'Tanuhadi, Elias'
'Roller, Alexander'
'Giester, Gerald'
'Kampatsikas, Ioannis'
'Rompel, Annette'
_publ_section_title
;
 Synthesis of the first Zn₆-hexagon sandwich-tungstoantimonate
 via rearrangement of a non-lacunary Krebs-type polyoxotungstate.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15651
_journal_page_last               15655
_journal_paper_doi               10.1039/c8dt02787k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'O72 Sb2 W18 Zn6, 4(C4 H12 N)'
_chemical_formula_sum            'C16 H48 N4 O72 Sb2 W18 Zn6'
_chemical_formula_weight         5393.60
_chemical_name_common            (TMA)4Hexa-zinc-18-tungstoantimonate
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2017-08-17
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5375)
;
_audit_update_record
;
2018-07-03 deposited with the CCDC.
2018-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.440(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.5029(12)
_cell_length_b                   23.1699(12)
_cell_length_c                   18.1162(11)
_cell_measurement_reflns_used    9097
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      29.994
_cell_measurement_theta_min      2.697
_cell_volume                     6060.2(7)
_computing_cell_refinement       'SAINT v7.68A (Bruker, 2009)'
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2444
_diffrn_reflns_av_unetI/netI     0.0693
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            151418
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.876
_diffrn_reflns_theta_min         2.083
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.674
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.1335
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction. 
wR2(int) was 0.1811 before and 0.1090 after correction. 
The Ratio of minimum to maximum transmission is 0.1790. 
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.956
_exptl_crystal_description       block
_exptl_crystal_F_000             4724
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         3.336
_refine_diff_density_min         -6.817
_refine_diff_density_rms         0.681
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         7386
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0753
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1346P)²+178.2807P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1982
_refine_ls_wR_factor_ref         0.2026
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6705
_reflns_number_total             7386
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt02787k2.cif
_cod_data_source_block           elta076_c2m
_cod_depositor_comments
'Adding full bibliography for 7047772--7047776.cif.'
_cod_database_code               7047776
_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_max   0.094
_shelx_estimated_absorpt_t_min   0.071
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
W1 W 0.92746(3) 0.58013(2) 0.17485(2) 0.01822(16) Uani 1 1 d . U .
W2 W 0.72114(5) 0.500000 0.22312(3) 0.01882(18) Uani 1 2 d S TU P
W3 W 0.72471(4) 0.57143(3) 0.38385(3) 0.02744(17) Uani 1 1 d . . .
W4 W 0.93242(4) 0.65292(2) 0.33441(2) 0.02429(17) Uani 1 1 d . . .
W5 W 1.11855(3) 0.58094(2) 0.29202(2) 0.01623(15) Uani 1 1 d . . .
Sb1 Sb 0.94188(7) 0.500000 0.37120(5) 0.0129(2) Uani 1 2 d S TU P
Zn1 Zn 1.19907(13) 0.500000 0.45252(9) 0.0157(4) Uani 1 2 d S T P
Zn2 Zn 1.10105(9) 0.38276(5) 0.47865(7) 0.0159(3) Uani 1 1 d . U .
O1 O 0.9661(5) 0.5622(3) 0.2991(4) 0.0141(15) Uani 1 1 d . U .
O2 O 0.8098(8) 0.500000 0.3343(6) 0.017(2) Uani 1 2 d S TU P
O3 O 0.8109(6) 0.6233(4) 0.3434(4) 0.0206(17) Uani 1 1 d . . .
O4 O 0.9071(7) 0.6496(4) 0.2261(5) 0.0237(18) Uani 1 1 d . U .
O5 O 0.8040(6) 0.5562(4) 0.1923(5) 0.0199(17) Uani 1 1 d . U .
O6 O 0.6688(6) 0.5572(4) 0.2825(5) 0.0221(17) Uani 1 1 d . U .
O7 O 0.9112(7) 0.6049(5) 0.0854(5) 0.033(2) Uani 1 1 d . . .
O8 O 0.6378(9) 0.500000 0.1514(7) 0.027(3) Uani 1 2 d S TU P
O9 O 0.6456(7) 0.6210(4) 0.4118(5) 0.0269(19) Uani 1 1 d . U .
O9AA O 1.0629(6) 0.6536(3) 0.3142(4) 0.0204(17) Uani 1 1 d . . .
O10 O 0.9152(7) 0.7262(4) 0.3462(5) 0.029(2) Uani 1 1 d . . .
O11 O 1.2270(6) 0.6071(4) 0.2767(5) 0.0217(17) Uani 1 1 d . . .
O12 O 1.0579(6) 0.5921(4) 0.1929(5) 0.0196(16) Uani 1 1 d . U .
O13 O 1.1298(8) 0.500000 0.2705(6) 0.014(2) Uani 1 2 d S TU P
O14 O 0.9486(8) 0.500000 0.1593(6) 0.017(2) Uani 1 2 d S TU P
O15 O 0.6626(9) 0.500000 0.4086(6) 0.021(2) Uani 1 2 d S TU P
O16 O 0.8087(6) 0.5618(3) 0.4670(4) 0.0161(15) Uani 1 1 d . U .
O17 O 0.9704(6) 0.6267(3) 0.4286(5) 0.0178(16) Uani 1 1 d . U .
O18 O 1.3250(8) 0.500000 0.4173(7) 0.021(2) Uani 1 2 d S T P
O19 O 1.1754(6) 0.3107(4) 0.4774(5) 0.0225(18) Uani 1 1 d . . .
O20 O 1.1302(6) 0.5624(4) 0.3924(4) 0.0202(17) Uani 1 1 d . . .
N1 N 0.6393(11) 0.2771(6) 0.1974(8) 0.043(3) Uani 1 1 d . . .
C1 C 0.566(2) 0.2468(10) 0.1537(11) 0.076(8) Uani 1 1 d . . .
H1A H 0.509639 0.270599 0.149602 0.114 Uiso 1 1 calc GR . .
H1B H 0.553326 0.210192 0.177867 0.114 Uiso 1 1 calc GR . .
H1C H 0.584638 0.239242 0.104083 0.114 Uiso 1 1 calc GR . .
C2 C 0.716(2) 0.2424(10) 0.1854(15) 0.086(9) Uani 1 1 d . . .
H2A H 0.694166 0.204525 0.167010 0.129 Uiso 1 1 calc GR . .
H2B H 0.755032 0.237692 0.232055 0.129 Uiso 1 1 calc GR . .
H2C H 0.751593 0.260861 0.148620 0.129 Uiso 1 1 calc GR . .
C3 C 0.6573(17) 0.3331(9) 0.1568(10) 0.061(6) Uani 1 1 d . . .
H3A H 0.628252 0.330922 0.105811 0.092 Uiso 1 1 calc GR . .
H3B H 0.724213 0.338656 0.156188 0.092 Uiso 1 1 calc GR . .
H3C H 0.631060 0.365545 0.182429 0.092 Uiso 1 1 calc GR . .
C4 C 0.627(2) 0.2865(13) 0.2737(13) 0.112(12) Uani 1 1 d . U .
H4A H 0.685246 0.300140 0.299693 0.168 Uiso 1 1 calc GR . .
H4B H 0.608511 0.250326 0.296041 0.168 Uiso 1 1 calc GR . .
H4C H 0.578650 0.315641 0.277684 0.168 Uiso 1 1 calc GR . .
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
O4 W1 O1 73.1(3) . .
O4 W1 O5 88.5(4) . .
O4 W1 O12 89.5(4) . .
O4 W1 O14 159.1(4) . .
O5 W1 O1 86.1(3) . .
O7 W1 O1 169.2(4) . .
O7 W1 O4 99.5(5) . .
O7 W1 O5 101.8(4) . .
O7 W1 O12 99.1(4) . .
O7 W1 O14 101.3(5) . .
O12 W1 O1 73.4(3) . .
O12 W1 O5 159.0(3) . .
O14 W1 O1 86.7(4) . .
O14 W1 O5 84.7(4) . .
O14 W1 O12 89.8(4) . .
O5 W2 O2 86.6(3) . .
O5 W2 O2 86.6(3) 6_565 .
O5 W2 O5 86.9(5) 6_565 .
O5 W2 O6 160.4(4) 6_565 .
O5 W2 O6 89.2(4) 6_565 6_565
O5 W2 O6 89.2(4) . .
O5 W2 O6 160.4(4) . 6_565
O6 W2 O2 74.0(3) . .
O6 W2 O2 74.0(3) 6_565 .
O6 W2 O6 88.0(5) 6_565 .
O8 W2 O2 168.6(5) . .
O8 W2 O5 101.6(4) . 6_565
O8 W2 O5 101.6(4) . .
O8 W2 O6 98.0(4) . 6_565
O8 W2 O6 98.0(4) . .
O3 W3 O2 84.8(3) . .
O3 W3 O6 88.5(4) . .
O3 W3 O15 160.6(4) . .
O6 W3 O2 72.8(4) . .
O9 W3 O2 170.7(4) . .
O9 W3 O3 99.8(4) . .
O9 W3 O6 99.1(4) . .
O9 W3 O15 99.3(5) . .
O9 W3 O16 104.1(4) . .
O15 W3 O2 75.9(4) . .
O15 W3 O6 85.1(4) . .
O16 W3 O2 84.0(4) . .
O16 W3 O3 89.1(4) . .
O16 W3 O6 156.7(4) . .
O16 W3 O15 89.6(4) . .
O3 W4 O1 85.2(3) . .
O3 W4 O4 89.1(4) . .
O3 W4 O9AA 158.7(3) . .
O4 W4 O1 72.9(3) . .
O9AA W4 O1 73.5(3) . .
O9AA W4 O4 84.6(4) . .
O10 W4 O1 169.2(4) . .
O10 W4 O3 101.3(4) . .
O10 W4 O4 98.4(4) . .
O10 W4 O9AA 99.7(4) . .
O10 W4 O17 104.0(4) . .
O17 W4 O1 84.4(3) . .
O17 W4 O3 90.0(3) . .
O17 W4 O4 157.3(4) . .
O17 W4 O9AA 88.1(4) . .
O9AA W5 O1 74.0(3) . .
O9AA W5 O12 85.1(4) . .
O9AA W5 O13 159.8(4) . .
O11 W5 O1 168.6(3) . .
O11 W5 O9AA 97.6(4) . .
O11 W5 O12 98.3(4) . .
O11 W5 O13 102.3(4) . .
O11 W5 O20 103.8(4) . .
O12 W5 O1 73.7(3) . .
O13 W5 O1 85.8(4) . .
O13 W5 O12 89.0(4) . .
O20 W5 O1 84.2(3) . .
O20 W5 O9AA 89.9(4) . .
O20 W5 O12 157.9(4) . .
O20 W5 O13 88.4(4) . .
O1 Sb1 O1 92.4(4) 6_565 .
O2 Sb1 O1 90.2(3) . .
O2 Sb1 O1 90.2(3) . 6_565
Zn2 Zn1 Zn2 120.89(7) . 6_565
O16 Zn1 Zn2 39.6(2) 2_756 6_565
O16 Zn1 Zn2 116.2(2) 2_756 .
O16 Zn1 Zn2 116.2(2) 5_766 6_565
O16 Zn1 Zn2 39.6(2) 5_766 .
O16 Zn1 O16 88.3(4) 2_756 5_766
O18 Zn1 Zn2 119.55(4) . 6_565
O18 Zn1 Zn2 119.55(4) . .
O18 Zn1 O16 109.9(3) . 5_766
O18 Zn1 O16 109.9(3) . 2_756
O18 Zn1 O20 104.5(3) . .
O18 Zn1 O20 104.5(3) . 6_565
O20 Zn1 Zn2 119.8(3) 6_565 6_565
O20 Zn1 Zn2 41.3(2) 6_565 .
O20 Zn1 Zn2 41.3(2) . 6_565
O20 Zn1 Zn2 119.8(3) . .
O20 Zn1 O16 80.0(3) . 2_756
O20 Zn1 O16 80.0(3) 6_565 5_766
O20 Zn1 O16 145.6(3) 6_565 2_756
O20 Zn1 O16 145.6(3) . 5_766
O20 Zn1 O20 91.6(5) . 6_565
Zn2 Zn2 Zn1 119.50(4) 2_756 .
O16 Zn2 Zn1 40.4(2) 5_766 .
O16 Zn2 Zn2 117.5(2) 5_766 2_756
O16 Zn2 O17 91.3(3) 5_766 5_766
O16 Zn2 O17 144.9(3) 5_766 6_565
O16 Zn2 O20 79.1(3) 5_766 6_565
O17 Zn2 Zn1 116.4(2) 6_565 .
O17 Zn2 Zn1 119.1(2) 5_766 .
O17 Zn2 Zn2 40.4(2) 5_766 2_756
O17 Zn2 Zn2 41.3(2) 6_565 2_756
O17 Zn2 O17 80.4(4) 6_565 5_766
O17 Zn2 O20 88.8(3) 6_565 6_565
O17 Zn2 O20 145.6(3) 5_766 6_565
O19 Zn2 Zn1 118.3(3) . .
O19 Zn2 Zn2 121.9(3) . 2_756
O19 Zn2 O16 102.3(4) . 5_766
O19 Zn2 O17 103.5(3) . 5_766
O19 Zn2 O17 112.8(4) . 6_565
O19 Zn2 O20 110.7(3) . 6_565
O20 Zn2 Zn1 39.6(2) 6_565 .
O20 Zn2 Zn2 116.7(2) 6_565 2_756
W4 O1 W1 94.0(3) . .
W4 O1 W5 94.4(3) . .
W5 O1 W1 93.3(3) . .
Sb1 O1 W1 136.6(4) . .
Sb1 O1 W4 115.4(4) . .
Sb1 O1 W5 114.0(3) . .
W2 O2 W3 93.8(4) . 6_565
W2 O2 W3 93.8(4) . .
W3 O2 W3 92.2(4) 6_565 .
Sb1 O2 W2 138.4(6) . .
Sb1 O2 W3 114.1(4) . .
Sb1 O2 W3 114.1(4) . 6_565
W4 O3 W3 153.2(5) . .
W1 O4 W4 120.0(4) . .
W2 O5 W1 150.7(5) . .
W2 O6 W3 119.4(5) . .
W5 O9AA W4 117.6(4) . .
W1 O12 W5 119.6(4) . .
W5 O13 W5 153.8(6) . 6_565
W1 O14 W1 153.6(7) . 6_565
W3 O15 W3 115.5(6) 6_565 .
W3 O16 Zn1 125.7(4) . 5_766
W3 O16 Zn2 131.5(4) . 5_766
Zn2 O16 Zn1 100.0(3) 5_766 5_766
W4 O17 Zn2 129.2(5) . 6_565
W4 O17 Zn2 131.1(4) . 5_766
Zn2 O17 Zn2 98.3(3) 6_565 5_766
W5 O20 Zn1 133.4(5) . .
W5 O20 Zn2 125.8(5) . 6_565
Zn1 O20 Zn2 99.1(3) . 6_565
C1 N1 C3 107.4(14) . .
C2 N1 C1 101(2) . .
C2 N1 C3 103.8(17) . .
C2 N1 C4 114(2) . .
C4 N1 C1 116.7(18) . .
C4 N1 C3 112.3(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O1 2.306(7) .
W1 O4 1.895(9) .
W1 O5 1.929(9) .
W1 O7 1.715(9) .
W1 O12 1.909(8) .
W1 O14 1.907(3) .
W2 O2 2.285(11) .
W2 O5 1.891(9) 6_565
W2 O5 1.892(9) .
W2 O6 1.910(9) 6_565
W2 O6 1.910(9) .
W2 O8 1.689(12) .
W3 O2 2.297(8) .
W3 O3 1.928(9) .
W3 O6 1.964(9) .
W3 O9 1.732(9) .
W3 O15 1.956(7) .
W3 O16 1.858(8) .
W4 O1 2.263(8) .
W4 O3 1.912(9) .
W4 O4 1.964(9) .
W4 O9AA 1.961(9) .
W4 O10 1.732(9) .
W4 O17 1.846(8) .
W5 O1 2.269(8) .
W5 O9AA 1.925(8) .
W5 O11 1.732(9) .
W5 O12 1.941(8) .
W5 O13 1.925(2) .
W5 O20 1.861(8) .
Sb1 O1 1.999(8) .
Sb1 O1 1.999(8) 6_565
Sb1 O2 1.968(11) .
Zn1 Zn2 3.1227(16) 6_565
Zn1 Zn2 3.1227(16) .
Zn1 O16 2.054(8) 5_766
Zn1 O16 2.054(8) 2_756
Zn1 O18 1.991(11) .
Zn1 O20 2.017(9) 6_565
Zn1 O20 2.017(9) .
Zn2 Zn2 3.102(3) 2_756
Zn2 O16 2.023(8) 5_766
Zn2 O17 2.033(8) 6_565
Zn2 O17 2.068(9) 5_766
Zn2 O19 1.989(8) .
Zn2 O20 2.087(9) 6_565
O2 W3 2.297(8) 6_565
O13 W5 1.925(2) 6_565
O14 W1 1.907(3) 6_565
O15 W3 1.956(7) 6_565
O16 Zn1 2.054(8) 5_766
O16 Zn2 2.023(8) 5_766
O17 Zn2 2.033(8) 6_565
O17 Zn2 2.068(9) 5_766
O20 Zn2 2.086(9) 6_565
N1 C1 1.45(2) .
N1 C2 1.40(3) .
N1 C3 1.52(2) .
N1 C4 1.43(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O1 W1 O4 W4 0.3(4) . .
O1 W4 O17 Zn2 80.3(5) . 6_565
O1 W4 O17 Zn2 -116.4(5) . 5_766
O1 W5 O20 Zn1 117.8(6) . .
O1 W5 O20 Zn2 -80.4(5) . 6_565
O2 W2 O5 W1 58.3(10) . .
O2 W3 O16 Zn1 -83.2(5) . 5_766
O2 W3 O16 Zn2 119.9(6) . 5_766
O3 W3 O16 Zn1 -168.0(5) . 5_766
O3 W3 O16 Zn2 35.0(6) . 5_766
O3 W4 O17 Zn2 -31.2(6) . 5_766
O3 W4 O17 Zn2 165.5(5) . 6_565
O4 W4 O17 Zn2 77.8(11) . 6_565
O4 W4 O17 Zn2 -118.9(10) . 5_766
O5 W1 O4 W4 86.6(5) . .
O5 W2 O5 W1 -28.4(12) 6_565 .
O6 W2 O5 W1 50.6(17) 6_565 .
O6 W2 O5 W1 132.3(10) . .
O6 W3 O16 Zn1 -83.9(10) . 5_766
O6 W3 O16 Zn2 119.2(8) . 5_766
O7 W1 O4 W4 -171.6(6) . .
O8 W2 O5 W1 -129.7(10) . .
O9 W3 O16 Zn1 92.1(6) . 5_766
O9 W3 O16 Zn2 -64.8(7) . 5_766
O9AA W4 O17 Zn2 170.0(5) . 5_766
O9AA W4 O17 Zn2 6.7(5) . 6_565
O9AA W5 O20 Zn1 -168.2(7) . .
O9AA W5 O20 Zn2 -6.5(5) . 6_565
O10 W4 O17 Zn2 70.5(6) . 5_766
O10 W4 O17 Zn2 -92.9(6) . 6_565
O11 W5 O20 Zn1 -70.4(7) . .
O11 W5 O20 Zn2 91.4(6) . 6_565
O12 W1 O4 W4 -72.5(5) . .
O12 W5 O20 Zn1 115.2(10) . .
O12 W5 O20 Zn2 -83.0(11) . 6_565
O13 W5 O20 Zn1 31.9(7) . .
O13 W5 O20 Zn2 -166.4(6) . 6_565
O14 W1 O4 W4 15.6(15) . .
O15 W3 O16 Zn1 -7.4(6) . 5_766
O15 W3 O16 Zn2 -164.3(6) . 5_766
