#------------------------------------------------------------------------------
#$Date: 2019-11-24 01:31:17 +0100 (Sun 24 de Nov de 2019) $
#$Revision: 236272 $
#$URL: svn://www.crystallography.net/cod/cif/7/23/65/7236524.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_7236524
loop_
_publ_author_name
'Cai, Kun'
'Sun, Fuxing'
'Liang, Xiaoqiang'
'Liu, Cong'
'Zhao, Nian'
'Zou, Xiaoqin'
'Zhu, Guangshan'
_publ_section_title
;
 An acid-stable hexaphosphate ester based metal--organic framework and its
 polymer composite as proton exchange membrane
;
_journal_issue                   25
_journal_name_full               'Journal of Materials Chemistry A'
_journal_page_first              12943
_journal_paper_doi               10.1039/C7TA00169J
_journal_volume                  5
_journal_year                    2017
_chemical_formula_sum            'C12 H44 O62 P12 Zn10'
_chemical_formula_weight         2205.81
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-01-05 deposited with the CCDC.
2017-05-24 downloaded from the CCDC.
;
_cell_angle_alpha                104.12(3)
_cell_angle_beta                 91.11(3)
_cell_angle_gamma                106.09(3)
_cell_formula_units_Z            2
_cell_length_a                   11.962(2)
_cell_length_b                   14.897(3)
_cell_length_c                   22.540(5)
_cell_measurement_reflns_used    9877
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.75
_cell_measurement_theta_min      2.46
_cell_volume                     3726.3(15)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1292
_diffrn_reflns_av_unetI/netI     0.1316
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            85450
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.346
_diffrn_reflns_theta_min         2.257
_exptl_absorpt_coefficient_mu    3.526
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_description       block
_exptl_crystal_F_000             2184
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.180
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         4.057
_refine_diff_density_min         -1.520
_refine_diff_density_rms         0.222
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     871
_refine_ls_number_reflns         18485
_refine_ls_number_restraints     220
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1388
_refine_ls_R_factor_gt           0.0786
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0644P)²+49.4553P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1670
_refine_ls_wR_factor_ref         0.1869
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11288
_reflns_number_total             18485
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7ta00169j2.cif
_cod_data_source_block           aaa_sq
_cod_database_code               7236524
_shelx_shelxl_version_number     2014/7
_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   0.511
_shelx_estimated_absorpt_t_max   0.569
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.34220(8) 0.36085(7) 0.24155(4) 0.0120(2) Uani 1 1 d . . . . .
Zn2 Zn 0.65544(8) 0.63277(6) 0.26688(4) 0.0109(2) Uani 1 1 d . . . . .
Zn3 Zn -0.04222(8) 0.39376(6) 0.40439(4) 0.0116(2) Uani 1 1 d . . . . .
Zn4 Zn 0.39444(8) 0.98868(6) 0.58159(4) 0.0113(2) Uani 1 1 d . . . . .
Zn5 Zn 0.39695(8) -0.00467(6) 0.07929(4) 0.00919(19) Uani 1 1 d . . . . .
Zn6 Zn 1.04254(7) 0.61419(6) 0.09316(4) 0.00763(19) Uani 1 1 d . . . . .
Zn7 Zn 0.71787(8) 0.78075(6) 0.10385(4) 0.0100(2) Uani 1 1 d D . . . .
Zn8 Zn 0.32116(8) 0.78336(7) 0.24219(4) 0.0150(2) Uani 1 1 d D . . . .
Zn9 Zn 0.32866(10) 0.85826(8) 0.75626(5) 0.0238(3) Uani 1 1 d D . . . .
Zn10 Zn 0.70938(9) 0.79573(7) 0.60488(5) 0.0172(2) Uani 1 1 d D . . . .
P1 P 0.54345(18) 0.51273(15) 0.35471(9) 0.0105(4) Uani 1 1 d . . . . .
P2 P 0.15170(19) 0.42939(15) 0.30933(10) 0.0143(4) Uani 1 1 d . . . . .
P3 P 0.15439(17) 0.46787(14) 0.51326(10) 0.0099(4) Uani 1 1 d . . . . .
P4 P 0.28510(17) 0.78744(14) 0.60809(9) 0.0085(4) Uani 1 1 d . . . . .
P5 P 0.59938(17) 0.92564(14) 0.53390(9) 0.0084(4) Uani 1 1 d . . . . .
P6 P 0.56827(19) 0.80949(14) 0.32415(9) 0.0116(4) Uani 1 1 d . . . . .
P7 P 0.44768(18) 0.48905(15) 0.15512(10) 0.0128(4) Uani 1 1 d . . . . .
P8 P 0.4587(2) 0.19568(15) 0.18234(10) 0.0138(4) Uani 1 1 d . . . . .
P9 P 0.41010(17) 0.09227(14) -0.02644(9) 0.0085(4) Uani 1 1 d . . . . .
P10 P 0.71187(17) 0.21154(14) -0.10515(9) 0.0079(4) Uani 1 1 d . . . . .
P11 P 0.85440(17) 0.53718(14) -0.01837(9) 0.0068(4) Uani 1 1 d . . . . .
P12 P 0.82658(17) 0.63131(14) 0.16749(9) 0.0086(4) Uani 1 1 d . . . . .
O1 O 0.4769(5) 0.5798(4) 0.3980(2) 0.0108(11) Uani 1 1 d . . . . .
O2 O 0.2388(5) 0.4789(4) 0.3719(3) 0.0159(13) Uani 1 1 d . . . . .
O3 O 0.1794(4) 0.5616(4) 0.4870(2) 0.0110(11) Uani 1 1 d . U . . .
O4 O 0.3507(5) 0.7249(4) 0.5609(2) 0.0096(11) Uani 1 1 d . . . . .
O5 O 0.4790(4) 0.8569(4) 0.4966(2) 0.0093(11) Uani 1 1 d . U . . .
O6 O 0.5530(5) 0.7703(4) 0.3845(2) 0.0130(12) Uani 1 1 d . U . . .
O7 O 0.5206(5) 0.4337(4) 0.1084(2) 0.0129(12) Uani 1 1 d . . . . .
O8 O 0.4696(5) 0.2471(4) 0.1276(2) 0.0135(12) Uani 1 1 d . . . . .
O9 O 0.5302(5) 0.1563(4) 0.0147(2) 0.0114(12) Uani 1 1 d . . . . .
O10 O 0.6536(4) 0.2785(4) -0.0563(2) 0.0087(11) Uani 1 1 d . U . . .
O11 O 0.8246(5) 0.4471(4) 0.0111(2) 0.0101(11) Uani 1 1 d . . . . .
O12 O 0.7398(5) 0.5487(4) 0.1141(2) 0.0108(11) Uani 1 1 d . . . . .
O13 O 0.4622(5) 0.4439(5) 0.3028(3) 0.0253(15) Uani 1 1 d . . . . .
O14 O 0.6517(5) 0.5766(4) 0.3365(3) 0.0194(13) Uani 1 1 d . . . . .
O15 O 0.5780(5) 0.4590(4) 0.3990(3) 0.0172(13) Uani 1 1 d . . . . .
H15 H 0.5193 0.4302 0.4123 0.026 Uiso 1 1 calc R U . . .
O16 O 0.1933(5) 0.3441(4) 0.2776(3) 0.0194(13) Uani 1 1 d . . . . .
O17 O 0.0291(5) 0.3933(4) 0.3273(3) 0.0205(13) Uani 1 1 d . U . . .
O18 O 0.1623(6) 0.5019(5) 0.2715(3) 0.0311(17) Uani 1 1 d . . . . .
O19 O 0.0652(5) 0.3854(4) 0.4670(3) 0.0198(14) Uani 1 1 d . . . . .
O20 O 0.1027(5) 0.4962(4) 0.5737(3) 0.0194(13) Uani 1 1 d . . . . .
O21 O 0.2663(4) 0.4416(4) 0.5202(3) 0.0121(12) Uani 1 1 d . . . . .
H21 H 0.2770 0.4520 0.5586 0.014 Uiso 1 1 d R U . . .
O22 O 0.2761(5) 0.8720(4) 0.5841(3) 0.0167(13) Uani 1 1 d . . . . .
O23 O 0.3626(5) 0.8173(4) 0.6673(2) 0.0162(13) Uani 1 1 d . . . . .
O24 O 0.1625(5) 0.7277(4) 0.6135(3) 0.0171(13) Uani 1 1 d . . . . .
O25 O 0.5573(5) 0.9870(4) 0.5883(3) 0.0180(13) Uani 1 1 d . . . . .
O26 O 0.6735(5) 0.8682(4) 0.5509(3) 0.0158(13) Uani 1 1 d . . . . .
O27 O 0.6619(5) 0.9851(4) 0.4920(3) 0.0159(12) Uani 1 1 d . . . . .
O28 O 0.6587(5) 0.7673(4) 0.2899(3) 0.0194(13) Uani 1 1 d . . . . .
O29 O 0.4517(6) 0.7710(5) 0.2878(3) 0.0276(16) Uani 1 1 d . . . . .
O30 O 0.6172(6) 0.9176(4) 0.3432(3) 0.0276(16) Uani 1 1 d . . . . .
O31 O 0.3485(5) 0.4134(4) 0.1714(3) 0.0192(13) Uani 1 1 d . . . . .
O32 O 0.5239(6) 0.5603(5) 0.2078(3) 0.0252(15) Uani 1 1 d . . . . .
O33 O 0.4013(5) 0.5431(4) 0.1146(3) 0.0172(13) Uani 1 1 d . . . . .
H33 H 0.3575 0.5037 0.0857 0.026 Uiso 1 1 calc R U . . .
O34 O 0.3786(5) 0.2394(4) 0.2250(3) 0.0202(14) Uani 1 1 d . . . . .
O35 O 0.3964(6) 0.0887(4) 0.1557(3) 0.0257(15) Uani 1 1 d . U . . .
O36 O 0.5788(6) 0.2155(5) 0.2129(3) 0.0265(15) Uani 1 1 d . . . . .
O37 O 0.3352(5) 0.0398(5) 0.0159(3) 0.0260(16) Uani 1 1 d . . . . .
O38 O 0.4490(5) 0.0216(4) -0.0765(3) 0.0231(14) Uani 1 1 d . U . . .
O39 O 0.3505(5) 0.1530(4) -0.0501(3) 0.0176(13) Uani 1 1 d . . . . .
O40 O 0.7156(5) 0.1246(4) -0.0830(2) 0.0108(11) Uani 1 1 d . . . . .
O41 O 0.8364(5) 0.2659(4) -0.1113(3) 0.0132(12) Uani 1 1 d . . . . .
O42 O 0.6330(5) 0.1885(4) -0.1635(2) 0.0108(11) Uani 1 1 d . U . . .
O43 O 0.9386(4) 0.6223(4) 0.0265(2) 0.0103(11) Uani 1 1 d . . . . .
O44 O 0.9085(4) 0.5024(4) -0.0768(2) 0.0103(11) Uani 1 1 d . U . . .
O45 O 0.7426(4) 0.5605(4) -0.0309(2) 0.0105(11) Uani 1 1 d . U . . .
H45 H 0.7581 0.6121 -0.0403 0.013 Uiso 1 1 calc R U . . .
O46 O 0.7929(5) 0.6159(4) 0.2292(3) 0.0156(12) Uani 1 1 d . . . . .
O47 O 0.9490(5) 0.6198(4) 0.1622(3) 0.0152(12) Uani 1 1 d . . . . .
O48 O 0.8123(5) 0.7237(4) 0.1565(3) 0.0138(12) Uani 1 1 d . . . . .
O49 O 0.6063(5) 0.6466(4) 0.0503(3) 0.0140(12) Uani 1 1 d D . . . .
H49A H 0.6469 0.6018 0.0264 0.021 Uiso 1 1 d DR U . . .
H49B H 0.5500 0.6091 0.0736 0.021 Uiso 1 1 d DR U . . .
O50 O 0.5931(5) 0.7853(5) 0.1663(3) 0.0259(15) Uani 1 1 d D . . . .
H50A H 0.5239 0.8038 0.1579 0.039 Uiso 1 1 d DR U . . .
H50B H 0.5780 0.7407 0.1925 0.039 Uiso 1 1 d DR U . . .
O51 O 0.8239(5) 0.9213(4) 0.1555(3) 0.0209(14) Uani 1 1 d D . . . .
H51A H 0.7948 0.9747 0.1483 0.031 Uiso 1 1 d DR U . . .
H51B H 0.8236 0.9280 0.2010 0.031 Uiso 1 1 d DR U . . .
O52 O 0.8462(5) 0.7772(4) 0.0415(2) 0.0129(12) Uani 1 1 d D . . . .
H52A H 0.8878 0.7268 0.0402 0.019 Uiso 1 1 d DR U . . .
H52B H 0.8197 0.7692 -0.0025 0.019 Uiso 1 1 d DR U . . .
O53 O 0.1767(8) 0.7743(7) 0.2834(4) 0.067(3) Uani 1 1 d D U . . .
H53A H 0.1665 0.7713 0.3272 0.101 Uiso 1 1 d DR U . . .
H53B H 0.0956 0.7514 0.2615 0.101 Uiso 1 1 d DR U . . .
O54 O 0.3681(6) 0.9376(5) 0.2869(3) 0.0306(17) Uani 1 1 d D . . . .
H54A H 0.3117 0.9683 0.2734 0.046 Uiso 1 1 d DR U . . .
H54B H 0.3684 0.9504 0.3325 0.046 Uiso 1 1 d DR U . . .
O55 O 0.2580(5) 0.6325(4) 0.2038(3) 0.0210(14) Uani 1 1 d D . . . .
H55A H 0.3196 0.5995 0.1923 0.031 Uiso 1 1 d DR U . . .
H55B H 0.2042 0.6134 0.1644 0.031 Uiso 1 1 d DR U . . .
O56 O 0.4191(7) 0.9968(5) 0.7643(4) 0.054(2) Uani 1 1 d D . . . .
H56A H 0.4782 1.0173 0.7353 0.081 Uiso 1 1 d DR U . . .
H56B H 0.4510 1.0443 0.8050 0.081 Uiso 1 1 d DR U . . .
O57 O 0.1619(9) 0.7869(9) 0.7378(6) 0.069(3) Uani 0.75 1 d D U P A 1
H57A H 0.1209 0.7257 0.7504 0.103 Uiso 0.75 1 d DR U P A 1
H57B H 0.0973 0.8170 0.7323 0.103 Uiso 0.75 1 d DR U P A 1
O57' O 0.276(2) 0.702(2) 0.7961(15) 0.069(3) Uani 0.25 1 d D U P A 2
H57C H 0.2044 0.7082 0.7989 0.103 Uiso 0.25 1 d DR U P A 2
H57D H 0.2996 0.6498 0.7950 0.103 Uiso 0.25 1 d R U P A 2
O58 O 0.2727(6) 0.9144(5) 0.8426(3) 0.0299(16) Uani 1 1 d D . . . .
H58A H 0.3370 0.9678 0.8718 0.045 Uiso 1 1 d DR U . . .
H58B H 0.2489 0.8645 0.8672 0.045 Uiso 1 1 d DR U . . .
O59 O 0.8291(13) 0.8901(9) 0.6782(6) 0.082(4) Uani 0.75 1 d D U P B 1
H59A H 0.8215 0.8863 0.7214 0.123 Uiso 0.75 1 d DR U P B 1
H59B H 0.8416 0.9596 0.6786 0.123 Uiso 0.75 1 d DR U P B 1
O59' O 0.817(4) 0.9021(13) 0.6502(13) 0.082(4) Uani 0.25 1 d D U P B 2
H59C H 0.8151 0.9689 0.6902 0.123 Uiso 0.25 1 d DR U P B 2
H59D H 0.8314 0.8631 0.6757 0.123 Uiso 0.25 1 d R U P B 2
O60 O 0.8556(7) 0.7765(6) 0.5594(4) 0.061(2) Uani 1 1 d D U . . .
H60A H 0.8567 0.7808 0.5164 0.091 Uiso 1 1 d DR U . . .
H60B H 0.8843 0.7213 0.5628 0.091 Uiso 1 1 d DR U . . .
O61 O 0.6221(5) 0.6588(4) 0.5616(3) 0.0289(16) Uani 1 1 d D . . . .
H61A H 0.6587 0.6124 0.5351 0.043 Uiso 1 1 d DR U . . .
H61B H 0.5578 0.6174 0.5799 0.043 Uiso 1 1 d DR U . . .
O62 O 0.5869(5) 0.8028(5) 0.6658(3) 0.0271(15) Uani 1 1 d D . . . .
H62A H 0.5845 0.7760 0.7024 0.041 Uiso 1 1 d DR U . . .
H62B H 0.5044 0.7954 0.6520 0.041 Uiso 1 1 d DR U . . .
C1 C 0.3960(7) 0.6219(6) 0.3749(4) 0.0114(16) Uani 1 1 d . . . . .
H1 H 0.3916 0.6073 0.3299 0.014 Uiso 1 1 calc R U . . .
C2 C 0.2782(7) 0.5810(5) 0.3961(4) 0.0115(16) Uani 1 1 d . U . . .
H2 H 0.2215 0.6105 0.3830 0.014 Uiso 1 1 calc R U . . .
C3 C 0.2906(7) 0.6017(6) 0.4661(4) 0.0119(16) Uani 1 1 d . U . . .
H3 H 0.3472 0.5714 0.4783 0.014 Uiso 1 1 calc R U . . .
C4 C 0.3331(6) 0.7099(5) 0.4955(3) 0.0069(15) Uani 1 1 d . U . . .
H4 H 0.2752 0.7408 0.4858 0.008 Uiso 1 1 calc R U . . .
C5 C 0.4502(6) 0.7538(5) 0.4725(3) 0.0057(14) Uani 1 1 d . U . . .
H5 H 0.5109 0.7296 0.4871 0.007 Uiso 1 1 calc R U . . .
C6 C 0.4399(7) 0.7310(6) 0.4034(4) 0.0114(16) Uani 1 1 d . . . . .
H6 H 0.3850 0.7617 0.3898 0.014 Uiso 1 1 calc R U . . .
C7 C 0.6119(7) 0.3998(6) 0.1294(4) 0.0117(16) Uani 1 1 d . . . . .
H7 H 0.6229 0.4185 0.1744 0.014 Uiso 1 1 calc R U . . .
C8 C 0.5771(7) 0.2888(5) 0.1051(3) 0.0086(15) Uani 1 1 d . U . . .
H8 H 0.6382 0.2648 0.1195 0.010 Uiso 1 1 calc R U . . .
C9 C 0.5622(7) 0.2590(5) 0.0347(4) 0.0103(16) Uani 1 1 d . U . . .
H9 H 0.5006 0.2822 0.0200 0.012 Uiso 1 1 calc R U . . .
C10 C 0.6767(6) 0.3005(5) 0.0086(3) 0.0060(14) Uani 1 1 d . U . . .
H10 H 0.7377 0.2735 0.0196 0.007 Uiso 1 1 calc R U . . .
C11 C 0.7140(6) 0.4098(5) 0.0322(4) 0.0101(16) Uani 1 1 d . . . . .
H11 H 0.6569 0.4347 0.0148 0.012 Uiso 1 1 calc R U . . .
C12 C 0.7234(7) 0.4462(5) 0.1031(3) 0.0091(15) Uani 1 1 d . U . . .
H12 H 0.7910 0.4341 0.1214 0.011 Uiso 1 1 calc R U . . .
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'
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'
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
O13 Zn1 O31 109.0(3) . .
O13 Zn1 O34 103.2(3) . .
O31 Zn1 O34 113.3(3) . .
O13 Zn1 O16 108.4(3) . .
O31 Zn1 O16 114.1(3) . .
O34 Zn1 O16 108.2(3) . .
O46 Zn2 O32 107.2(3) . .
O46 Zn2 O28 111.6(2) . .
O32 Zn2 O28 109.3(3) . .
O46 Zn2 O14 104.7(2) . .
O32 Zn2 O14 110.4(3) . .
O28 Zn2 O14 113.4(3) . .
O24 Zn3 O20 112.9(3) 2_566 2_566
O24 Zn3 O19 104.6(2) 2_566 .
O20 Zn3 O19 115.1(3) 2_566 .
O24 Zn3 O17 103.9(2) 2_566 .
O20 Zn3 O17 108.8(3) 2_566 .
O19 Zn3 O17 110.9(3) . .
O22 Zn4 O27 101.5(2) . 2_676
O22 Zn4 O30 104.0(3) . 2_676
O27 Zn4 O30 113.0(3) 2_676 2_676
O22 Zn4 O25 116.9(2) . .
O27 Zn4 O25 117.4(2) 2_676 .
O30 Zn4 O25 103.8(3) 2_676 .
O38 Zn5 O37 120.0(3) 2_655 .
O38 Zn5 O40 109.4(2) 2_655 2_655
O37 Zn5 O40 107.1(2) . 2_655
O38 Zn5 O35 107.4(3) 2_655 .
O37 Zn5 O35 105.9(3) . .
O40 Zn5 O35 106.2(2) 2_655 .
O41 Zn6 O47 106.3(2) 2_765 .
O41 Zn6 O44 116.7(2) 2_765 2_765
O47 Zn6 O44 110.1(2) . 2_765
O41 Zn6 O43 104.3(2) 2_765 .
O47 Zn6 O43 103.3(2) . .
O44 Zn6 O43 115.0(2) 2_765 .
O39 Zn7 O50 94.4(2) 2_665 .
O39 Zn7 O48 171.6(2) 2_665 .
O50 Zn7 O48 92.2(2) . .
O39 Zn7 O52 86.0(2) 2_665 .
O50 Zn7 O52 179.2(2) . .
O48 Zn7 O52 87.3(2) . .
O39 Zn7 O49 88.1(2) 2_665 .
O50 Zn7 O49 89.2(3) . .
O48 Zn7 O49 97.0(2) . .
O52 Zn7 O49 91.5(2) . .
O39 Zn7 O51 88.3(2) 2_665 .
O50 Zn7 O51 90.1(3) . .
O48 Zn7 O51 86.7(2) . .
O52 Zn7 O51 89.2(2) . .
O49 Zn7 O51 176.2(2) . .
O29 Zn8 O53 116.1(3) . .
O29 Zn8 O42 110.6(2) . 2_665
O53 Zn8 O42 133.2(3) . 2_665
O29 Zn8 O55 92.2(3) . .
O53 Zn8 O55 87.7(3) . .
O42 Zn8 O55 94.0(2) 2_665 .
O29 Zn8 O54 90.7(3) . .
O53 Zn8 O54 85.8(3) . .
O42 Zn8 O54 90.4(2) 2_665 .
O55 Zn8 O54 173.5(3) . .
O57 Zn9 O36 112.8(4) . 2_666
O57 Zn9 O56 133.1(5) . .
O36 Zn9 O56 113.2(3) 2_666 .
O57 Zn9 O23 92.9(4) . .
O36 Zn9 O23 95.1(3) 2_666 .
O56 Zn9 O23 92.2(3) . .
O57 Zn9 O58 82.3(4) . .
O36 Zn9 O58 95.7(3) 2_666 .
O56 Zn9 O58 84.2(3) . .
O23 Zn9 O58 169.1(3) . .
O36 Zn9 O57' 45.7(6) 2_666 .
O56 Zn9 O57' 151.8(6) . .
O23 Zn9 O57' 106.6(9) . .
O58 Zn9 O57' 80.7(9) . .
O26 Zn10 O59' 90.7(8) . .
O26 Zn10 O61 103.1(3) . .
O59' Zn10 O61 163.4(11) . .
O26 Zn10 O62 102.3(3) . .
O59' Zn10 O62 94.3(15) . .
O61 Zn10 O62 91.6(3) . .
O26 Zn10 O59 109.4(4) . .
O61 Zn10 O59 147.3(4) . .
O62 Zn10 O59 85.4(5) . .
O26 Zn10 O60 92.1(3) . .
O59' Zn10 O60 81.7(16) . .
O61 Zn10 O60 88.7(3) . .
O62 Zn10 O60 165.2(3) . .
O59 Zn10 O60 86.4(5) . .
O13 P1 O14 114.9(4) . .
O13 P1 O15 110.5(4) . .
O14 P1 O15 109.9(3) . .
O13 P1 O1 110.2(3) . .
O14 P1 O1 108.9(3) . .
O15 P1 O1 101.5(3) . .
O18 P2 O17 113.1(4) . .
O18 P2 O16 112.3(4) . .
O17 P2 O16 109.6(3) . .
O18 P2 O2 109.4(3) . .
O17 P2 O2 107.9(3) . .
O16 P2 O2 104.0(3) . .
O21 P3 O20 113.7(3) . .
O21 P3 O19 110.1(3) . .
O20 P3 O19 111.1(4) . .
O21 P3 O3 109.8(3) . .
O20 P3 O3 104.6(3) . .
O19 P3 O3 107.3(3) . .
O21 P3 H21 26.1 . .
O20 P3 H21 87.6 . .
O19 P3 H21 124.3 . .
O3 P3 H21 118.2 . .
O23 P4 O22 113.5(3) . .
O23 P4 O24 112.4(3) . .
O22 P4 O24 108.2(3) . .
O23 P4 O4 103.1(3) . .
O22 P4 O4 108.6(3) . .
O24 P4 O4 111.0(3) . .
O26 P5 O27 109.8(3) . .
O26 P5 O25 114.6(3) . .
O27 P5 O25 112.1(3) . .
O26 P5 O5 111.3(3) . .
O27 P5 O5 106.6(3) . .
O25 P5 O5 101.9(3) . .
O29 P6 O30 115.7(4) . .
O29 P6 O28 111.2(4) . .
O30 P6 O28 108.4(4) . .
O29 P6 O6 106.4(3) . .
O30 P6 O6 108.8(3) . .
O28 P6 O6 105.9(3) . .
O32 P7 O31 115.4(4) . .
O32 P7 O33 109.1(3) . .
O31 P7 O33 110.9(3) . .
O32 P7 O7 111.6(3) . .
O31 P7 O7 107.7(3) . .
O33 P7 O7 101.2(3) . .
O36 P8 O35 113.8(4) . .
O36 P8 O34 113.0(4) . .
O35 P8 O34 108.0(4) . .
O36 P8 O8 108.5(3) . .
O35 P8 O8 107.9(3) . .
O34 P8 O8 105.3(3) . .
O39 P9 O37 111.1(4) . .
O39 P9 O38 113.7(4) . .
O37 P9 O38 111.0(4) . .
O39 P9 O9 111.7(3) . .
O37 P9 O9 105.5(3) . .
O38 P9 O9 103.3(3) . .
O40 P10 O41 107.4(3) . .
O40 P10 O42 114.7(3) . .
O41 P10 O42 112.2(3) . .
O40 P10 O10 109.4(3) . .
O41 P10 O10 110.7(3) . .
O42 P10 O10 102.4(3) . .
O45 P11 O43 110.2(3) . .
O45 P11 O44 112.6(3) . .
O43 P11 O44 112.3(3) . .
O45 P11 O11 108.7(3) . .
O43 P11 O11 108.7(3) . .
O44 P11 O11 104.0(3) . .
O48 P12 O46 114.0(3) . .
O48 P12 O47 115.4(3) . .
O46 P12 O47 106.0(3) . .
O48 P12 O12 103.4(3) . .
O46 P12 O12 109.6(3) . .
O47 P12 O12 108.3(3) . .
C1 O1 P1 123.7(5) . .
C2 O2 P2 121.4(5) . .
C3 O3 P3 121.7(5) . .
C4 O4 P4 122.2(5) . .
C5 O5 P5 125.9(5) . .
C6 O6 P6 121.8(5) . .
C7 O7 P7 122.0(5) . .
C8 O8 P8 124.5(5) . .
C9 O9 P9 123.0(5) . .
C10 O10 P10 124.8(5) . .
C11 O11 P11 123.4(5) . .
C12 O12 P12 125.6(5) . .
P1 O13 Zn1 172.6(5) . .
P1 O14 Zn2 124.8(3) . .
P1 O15 H15 109.5 . .
P2 O16 Zn1 122.0(3) . .
P2 O17 Zn3 135.6(4) . .
P3 O19 Zn3 128.4(4) . .
P3 O20 Zn3 123.2(4) . 2_566
P3 O21 H21 101.7 . .
P4 O22 Zn4 130.2(4) . .
P4 O23 Zn9 131.3(4) . .
P4 O24 Zn3 150.9(4) . 2_566
P5 O25 Zn4 117.6(3) . .
P5 O26 Zn10 149.0(4) . .
P5 O27 Zn4 131.5(4) . 2_676
P6 O28 Zn2 126.8(4) . .
P6 O29 Zn8 153.6(5) . .
P6 O30 Zn4 130.5(4) . 2_676
P7 O31 Zn1 128.6(4) . .
P7 O32 Zn2 163.0(4) . .
P7 O33 H33 109.5 . .
P8 O34 Zn1 133.9(4) . .
P8 O35 Zn5 134.5(4) . .
P8 O36 Zn9 137.5(4) . 2_666
P9 O37 Zn5 124.1(3) . .
P9 O38 Zn5 125.9(4) . 2_655
P9 O39 Zn7 164.9(4) . 2_665
P10 O40 Zn5 135.7(3) . 2_655
P10 O41 Zn6 148.3(4) . 2_765
P10 O42 Zn8 127.1(3) . 2_665
P11 O43 Zn6 125.3(3) . .
P11 O44 Zn6 122.4(3) . 2_765
P11 O45 H45 109.5 . .
P12 O46 Zn2 126.6(3) . .
P12 O47 Zn6 130.3(3) . .
P12 O48 Zn7 144.4(3) . .
Zn7 O49 H49A 115.1 . .
Zn7 O49 H49B 114.9 . .
H49A O49 H49B 106.9 . .
Zn7 O50 H50A 121.2 . .
Zn7 O50 H50B 120.5 . .
H50A O50 H50B 111.4 . .
Zn7 O51 H51A 112.6 . .
Zn7 O51 H51B 111.4 . .
H51A O51 H51B 105.1 . .
Zn7 O52 H52A 116.1 . .
Zn7 O52 H52B 116.0 . .
H52A O52 H52B 105.1 . .
Zn8 O53 H53A 126.8 . .
Zn8 O53 H53B 124.7 . .
H53A O53 H53B 106.1 . .
Zn8 O54 H54A 111.6 . .
Zn8 O54 H54B 111.8 . .
H54A O54 H54B 106.5 . .
Zn8 O55 H55A 115.0 . .
Zn8 O55 H55B 113.7 . .
H55A O55 H55B 104.2 . .
Zn9 O56 H56A 123.1 . .
Zn9 O56 H56B 122.9 . .
H56A O56 H56B 104.2 . .
Zn9 O57 H57A 125.8 . .
Zn9 O57 H57B 124.8 . .
H57A O57 H57B 104.3 . .
Zn9 O57' H57C 86.9 . .
Zn9 O57' H57D 140.4 . .
H57C O57' H57D 128.8 . .
Zn9 O58 H58A 113.6 . .
Zn9 O58 H58B 112.8 . .
H58A O58 H58B 102.1 . .
Zn10 O59 H59A 122.5 . .
Zn10 O59 H59B 112.0 . .
H59A O59 H59B 106.6 . .
Zn10 O59' H59C 135.2 . .
Zn10 O59' H59D 87.5 . .
H59C O59' H59D 96.6 . .
Zn10 O60 H60A 117.4 . .
Zn10 O60 H60B 118.2 . .
H60A O60 H60B 108.8 . .
Zn10 O61 H61A 123.8 . .
Zn10 O61 H61B 122.9 . .
H61A O61 H61B 105.0 . .
Zn10 O62 H62A 123.1 . .
Zn10 O62 H62B 121.4 . .
H62A O62 H62B 106.6 . .
O1 C1 C6 107.1(6) . .
O1 C1 C2 107.6(6) . .
C6 C1 C2 109.8(7) . .
O1 C1 H1 110.7 . .
C6 C1 H1 110.7 . .
C2 C1 H1 110.7 . .
O2 C2 C1 110.2(6) . .
O2 C2 C3 107.6(6) . .
C1 C2 C3 108.8(6) . .
O2 C2 H2 110.1 . .
C1 C2 H2 110.1 . .
C3 C2 H2 110.1 . .
O3 C3 C4 109.3(6) . .
O3 C3 C2 109.5(6) . .
C4 C3 C2 110.8(6) . .
O3 C3 H3 109.0 . .
C4 C3 H3 109.0 . .
C2 C3 H3 109.0 . .
O4 C4 C3 108.3(6) . .
O4 C4 C5 108.4(6) . .
C3 C4 C5 109.8(6) . .
O4 C4 H4 110.1 . .
C3 C4 H4 110.1 . .
C5 C4 H4 110.1 . .
O5 C5 C6 108.5(6) . .
O5 C5 C4 107.0(6) . .
C6 C5 C4 110.7(6) . .
O5 C5 H5 110.2 . .
C6 C5 H5 110.2 . .
C4 C5 H5 110.2 . .
O6 C6 C1 110.2(6) . .
O6 C6 C5 108.1(6) . .
C1 C6 C5 111.0(6) . .
O6 C6 H6 109.2 . .
C1 C6 H6 109.2 . .
C5 C6 H6 109.2 . .
O7 C7 C12 107.2(6) . .
O7 C7 C8 108.5(6) . .
C12 C7 C8 110.4(6) . .
O7 C7 H7 110.2 . .
C12 C7 H7 110.2 . .
C8 C7 H7 110.2 . .
O8 C8 C7 109.6(6) . .
O8 C8 C9 109.0(6) . .
C7 C8 C9 110.6(6) . .
O8 C8 H8 109.2 . .
C7 C8 H8 109.2 . .
C9 C8 H8 109.2 . .
O9 C9 C10 108.9(6) . .
O9 C9 C8 108.3(6) . .
C10 C9 C8 110.7(6) . .
O9 C9 H9 109.6 . .
C10 C9 H9 109.6 . .
C8 C9 H9 109.6 . .
O10 C10 C11 107.0(6) . .
O10 C10 C9 107.7(6) . .
C11 C10 C9 109.0(6) . .
O10 C10 H10 111.0 . .
C11 C10 H10 111.0 . .
C9 C10 H10 111.0 . .
O11 C11 C10 108.5(6) . .
O11 C11 C12 109.0(6) . .
C10 C11 C12 113.8(6) . .
O11 C11 H11 108.5 . .
C10 C11 H11 108.5 . .
C12 C11 H11 108.5 . .
O12 C12 C7 109.8(6) . .
O12 C12 C11 103.9(6) . .
C7 C12 C11 111.8(6) . .
O12 C12 H12 110.4 . .
C7 C12 H12 110.4 . .
C11 C12 H12 110.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 O13 1.898(6) .
Zn1 O31 1.921(6) .
Zn1 O34 1.928(6) .
Zn1 O16 1.949(6) .
Zn2 O46 1.915(6) .
Zn2 O32 1.921(6) .
Zn2 O28 1.932(6) .
Zn2 O14 1.946(6) .
Zn3 O24 1.919(5) 2_566
Zn3 O20 1.931(6) 2_566
Zn3 O19 1.939(6) .
Zn3 O17 1.949(6) .
Zn4 O22 1.928(6) .
Zn4 O27 1.944(6) 2_676
Zn4 O30 1.951(6) 2_676
Zn4 O25 1.959(6) .
Zn5 O38 1.929(6) 2_655
Zn5 O37 1.929(6) .
Zn5 O40 1.938(5) 2_655
Zn5 O35 1.934(6) .
Zn6 O41 1.909(5) 2_765
Zn6 O47 1.932(6) .
Zn6 O44 1.938(5) 2_765
Zn6 O43 1.980(5) .
Zn7 O39 2.026(5) 2_665
Zn7 O50 2.074(6) .
Zn7 O48 2.093(5) .
Zn7 O52 2.104(5) .
Zn7 O49 2.125(5) .
Zn7 O51 2.152(5) .
Zn8 O29 1.928(6) .
Zn8 O53 1.965(8) .
Zn8 O42 1.973(5) 2_665
Zn8 O55 2.110(6) .
Zn8 O54 2.178(6) .
Zn9 O57 1.965(10) .
Zn9 O36 1.983(6) 2_666
Zn9 O56 2.009(6) .
Zn9 O23 2.032(6) .
Zn9 O58 2.121(6) .
Zn9 O57' 2.618(19) .
Zn10 O26 1.926(6) .
Zn10 O59' 1.80(2) .
Zn10 O61 2.003(6) .
Zn10 O62 2.034(6) .
Zn10 O59 2.102(11) .
Zn10 O60 2.097(8) .
P1 O13 1.477(6) .
P1 O14 1.509(6) .
P1 O15 1.538(6) .
P1 O1 1.605(6) .
P2 O18 1.511(7) .
P2 O17 1.516(6) .
P2 O16 1.516(6) .
P2 O2 1.621(6) .
P3 O21 1.510(5) .
P3 O20 1.520(6) .
P3 O19 1.530(6) .
P3 O3 1.602(6) .
P3 H21 1.8721 .
P4 O23 1.508(6) .
P4 O22 1.515(6) .
P4 O24 1.515(6) .
P4 O4 1.603(6) .
P5 O26 1.494(6) .
P5 O27 1.517(6) .
P5 O25 1.525(6) .
P5 O5 1.596(5) .
P6 O29 1.493(7) .
P6 O30 1.500(6) .
P6 O28 1.528(6) .
P6 O6 1.600(6) .
P7 O32 1.475(6) .
P7 O31 1.514(6) .
P7 O33 1.541(6) .
P7 O7 1.600(6) .
P8 O36 1.501(7) .
P8 O35 1.521(6) .
P8 O34 1.530(6) .
P8 O8 1.594(6) .
P9 O39 1.479(6) .
P9 O37 1.527(6) .
P9 O38 1.520(6) .
P9 O9 1.610(5) .
P10 O40 1.509(5) .
P10 O41 1.513(5) .
P10 O42 1.513(5) .
P10 O10 1.603(6) .
P11 O45 1.509(5) .
P11 O43 1.507(5) .
P11 O44 1.518(6) .
P11 O11 1.596(5) .
P12 O48 1.510(6) .
P12 O46 1.509(6) .
P12 O47 1.525(6) .
P12 O12 1.601(5) .
O1 C1 1.441(9) .
O2 C2 1.422(9) .
O3 C3 1.439(9) .
O4 C4 1.437(9) .
O5 C5 1.436(8) .
O6 C6 1.435(9) .
O7 C7 1.442(9) .
O8 C8 1.425(9) .
O9 C9 1.421(9) .
O10 C10 1.423(9) .
O11 C11 1.424(9) .
O12 C12 1.442(9) .
O15 H15 0.8200 .
O20 Zn3 1.931(6) 2_566
O21 H21 0.8413 .
O24 Zn3 1.919(5) 2_566
O27 Zn4 1.944(6) 2_676
O30 Zn4 1.951(6) 2_676
O33 H33 0.8200 .
O36 Zn9 1.983(6) 2_666
O38 Zn5 1.928(6) 2_655
O39 Zn7 2.026(5) 2_665
O40 Zn5 1.938(5) 2_655
O41 Zn6 1.909(5) 2_765
O42 Zn8 1.973(5) 2_665
O44 Zn6 1.938(5) 2_765
O45 H45 0.8200 .
O49 H49A 0.9929 .
O49 H49B 0.9946 .
O50 H50A 0.9721 .
O50 H50B 0.9758 .
O51 H51A 0.9992 .
O51 H51B 1.0056 .
O52 H52A 1.0040 .
O52 H52B 1.0048 .
O53 H53A 1.0071 .
O53 H53B 1.0080 .
O54 H54A 0.9940 .
O54 H54B 0.9980 .
O55 H55A 0.9999 .
O55 H55B 1.0183 .
O56 H56A 1.0073 .
O56 H56B 1.0035 .
O57 H57A 1.0172 .
O57 H57B 1.0143 .
O57' H57C 0.8851 .
O57' H57D 0.8940 .
O58 H58A 1.0218 .
O58 H58B 1.0150 .
O59 H59A 0.9932 .
O59 H59B 1.0028 .
O59' H59C 1.1763 .
O59' H59D 0.9527 .
O60 H60A 0.9851 .
O60 H60B 0.9944 .
O61 H61A 1.0012 .
O61 H61B 1.0090 .
O62 H62A 0.9984 .
O62 H62B 0.9969 .
C1 C6 1.529(11) .
C1 C2 1.509(11) .
C1 H1 0.9800 .
C2 C3 1.528(11) .
C2 H2 0.9800 .
C3 C4 1.519(10) .
C3 H3 0.9800 .
C4 C5 1.531(10) .
C4 H4 0.9800 .
C5 C6 1.506(10) .
C5 H5 0.9800 .
C6 H6 0.9800 .
C7 C12 1.526(11) .
C7 C8 1.541(10) .
C7 H7 0.9800 .
C8 C9 1.533(11) .
C8 H8 0.9800 .
C9 C10 1.531(10) .
C9 H9 0.9800 .
C10 C11 1.515(10) .
C10 H10 0.9800 .
C11 C12 1.547(11) .
C11 H11 0.9800 .
C12 H12 0.9800 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O15 H15 O61 0.82 2.03 2.848(9) 171.8 2_666
O21 H21 O15 0.84 1.93 2.450(8) 119.0 2_666
O33 H33 O45 0.82 1.61 2.426(7) 169.7 2_665
O45 H45 O52 0.82 2.61 3.123(7) 121.6 .
O49 H49A O45 0.99 1.85 2.790(8) 157.0 .
O49 H49B O33 0.99 2.13 3.103(8) 166.4 .
O50 H50A O42 0.97 1.92 2.840(8) 157.8 2_665
O50 H50B O28 0.98 2.28 2.975(8) 127.6 .
O51 H51A O58 1.00 2.00 2.976(9) 164.6 2_676
O52 H52A O43 1.00 1.78 2.776(7) 168.5 .
O54 H54B O25 1.00 1.87 2.788(8) 150.8 2_676
O55 H55A O33 1.00 2.13 2.974(8) 141.2 .
O55 H55B O41 1.02 2.53 3.210(8) 123.6 2_665
O55 H55B O44 1.02 2.38 3.310(8) 152.2 2_665
O56 H56A O54 1.01 1.90 2.838(11) 154.2 2_676
O56 H56B O42 1.00 2.54 3.298(9) 131.8 1_566
O57 H57A O17 1.02 2.45 3.021(12) 114.4 2_566
O58 H58A O38 1.02 1.64 2.624(9) 160.7 1_566
O60 H60B O19 0.99 1.84 2.768(10) 154.8 2_666
O61 H61A O21 1.00 1.72 2.698(8) 164.1 2_666
O61 H61B O15 1.01 1.85 2.848(9) 169.1 2_666
O62 H62A O34 1.00 1.77 2.736(9) 161.4 2_666
O62 H62B O4 1.00 2.54 3.392(8) 143.8 .
O62 H62B O23 1.00 1.84 2.751(9) 150.8 .
C3 H3 O21 0.98 2.34 2.883(10) 114.5 .
C5 H5 O26 0.98 2.52 2.997(9) 110.1 .
C8 H8 O57' 0.98 2.02 2.76(2) 130.5 2_666
C9 H9 O39 0.98 2.43 2.947(10) 112.3 .
C9 H9 O49 0.98 2.60 3.528(9) 158.0 2_665
C11 H11 O45 0.98 2.35 2.886(9) 113.3 .
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_4
O13 P1 O1 C1 -42.5(6) .
O14 P1 O1 C1 84.4(6) .
O15 P1 O1 C1 -159.7(5) .
O18 P2 O2 C2 22.8(7) .
O17 P2 O2 C2 -100.6(6) .
O16 P2 O2 C2 143.0(6) .
O21 P3 O3 C3 8.1(6) .
O20 P3 O3 C3 130.4(6) .
O19 P3 O3 C3 -111.6(6) .
O23 P4 O4 C4 -157.7(5) .
O22 P4 O4 C4 -37.0(6) .
O24 P4 O4 C4 81.8(6) .
O26 P5 O5 C5 -9.9(7) .
O27 P5 O5 C5 109.8(6) .
O25 P5 O5 C5 -132.6(6) .
O29 P6 O6 C6 -15.5(7) .
O30 P6 O6 C6 109.8(6) .
O28 P6 O6 C6 -133.9(6) .
O32 P7 O7 C7 42.7(7) .
O31 P7 O7 C7 -85.0(6) .
O33 P7 O7 C7 158.6(5) .
O36 P8 O8 C8 10.5(7) .
O35 P8 O8 C8 -113.1(6) .
O34 P8 O8 C8 131.7(6) .
O39 P9 O9 C9 10.9(7) .
O37 P9 O9 C9 -110.0(6) .
O38 P9 O9 C9 133.5(6) .
O40 P10 O10 C10 41.8(6) .
O41 P10 O10 C10 -76.3(6) .
O42 P10 O10 C10 163.9(5) .
O45 P11 O11 C11 -11.0(6) .
O43 P11 O11 C11 109.0(6) .
O44 P11 O11 C11 -131.2(6) .
O48 P12 O12 C12 178.1(6) .
O46 P12 O12 C12 -60.0(6) .
O47 P12 O12 C12 55.2(6) .
O13 P1 O14 Zn2 38.4(6) .
O15 P1 O14 Zn2 163.8(4) .
O1 P1 O14 Zn2 -85.8(5) .
O18 P2 O16 Zn1 48.4(5) .
O17 P2 O16 Zn1 175.0(4) .
O2 P2 O16 Zn1 -69.9(5) .
O18 P2 O17 Zn3 -120.9(5) .
O16 P2 O17 Zn3 113.0(5) .
O2 P2 O17 Zn3 0.3(6) .
O21 P3 O19 Zn3 -140.0(4) .
O20 P3 O19 Zn3 93.2(5) .
O3 P3 O19 Zn3 -20.5(6) .
O21 P3 O20 Zn3 135.8(4) 2_566
O19 P3 O20 Zn3 -99.4(4) 2_566
O3 P3 O20 Zn3 16.1(5) 2_566
O23 P4 O22 Zn4 40.7(6) .
O24 P4 O22 Zn4 166.1(4) .
O4 P4 O22 Zn4 -73.3(5) .
O22 P4 O23 Zn9 85.6(5) .
O24 P4 O23 Zn9 -37.5(6) .
O4 P4 O23 Zn9 -157.1(4) .
O23 P4 O24 Zn3 -107.7(8) 2_566
O22 P4 O24 Zn3 126.2(8) 2_566
O4 P4 O24 Zn3 7.2(9) 2_566
O26 P5 O25 Zn4 -137.1(4) .
O27 P5 O25 Zn4 96.9(4) .
O5 P5 O25 Zn4 -16.8(4) .
O27 P5 O26 Zn10 161.4(7) .
O25 P5 O26 Zn10 34.2(9) .
O5 P5 O26 Zn10 -80.8(8) .
O26 P5 O27 Zn4 137.9(4) 2_676
O25 P5 O27 Zn4 -93.5(5) 2_676
O5 P5 O27 Zn4 17.3(6) 2_676
O29 P6 O28 Zn2 -62.8(5) .
O30 P6 O28 Zn2 168.9(4) .
O6 P6 O28 Zn2 52.3(5) .
O30 P6 O29 Zn8 9.5(11) .
O28 P6 O29 Zn8 -114.7(10) .
O6 P6 O29 Zn8 130.5(9) .
O29 P6 O30 Zn4 92.8(6) 2_676
O28 P6 O30 Zn4 -141.5(5) 2_676
O6 P6 O30 Zn4 -26.8(7) 2_676
O32 P7 O31 Zn1 -29.3(6) .
O33 P7 O31 Zn1 -154.0(4) .
O7 P7 O31 Zn1 96.1(5) .
O31 P7 O32 Zn2 110.4(16) .
O33 P7 O32 Zn2 -123.9(16) .
O7 P7 O32 Zn2 -12.9(17) .
O36 P8 O34 Zn1 92.2(6) .
O35 P8 O34 Zn1 -141.1(5) .
O8 P8 O34 Zn1 -26.0(6) .
O36 P8 O35 Zn5 -84.2(6) .
O34 P8 O35 Zn5 149.6(5) .
O8 P8 O35 Zn5 36.2(7) .
O35 P8 O36 Zn9 -15.5(7) 2_666
O34 P8 O36 Zn9 108.1(6) 2_666
O8 P8 O36 Zn9 -135.6(5) 2_666
O39 P9 O37 Zn5 -155.3(4) .
O38 P9 O37 Zn5 77.1(6) .
O9 P9 O37 Zn5 -34.1(6) .
O39 P9 O38 Zn5 129.6(4) 2_655
O37 P9 O38 Zn5 -104.3(5) 2_655
O9 P9 O38 Zn5 8.3(5) 2_655
O37 P9 O39 Zn7 -133.1(14) 2_665
O38 P9 O39 Zn7 -7.1(16) 2_665
O9 P9 O39 Zn7 109.4(15) 2_665
O41 P10 O40 Zn5 -164.1(4) 2_655
O42 P10 O40 Zn5 -38.7(6) 2_655
O10 P10 O40 Zn5 75.7(5) 2_655
O40 P10 O41 Zn6 -129.4(7) 2_765
O42 P10 O41 Zn6 103.7(7) 2_765
O10 P10 O41 Zn6 -10.0(8) 2_765
O40 P10 O42 Zn8 -119.9(4) 2_665
O41 P10 O42 Zn8 2.9(5) 2_665
O10 P10 O42 Zn8 121.6(4) 2_665
O45 P11 O43 Zn6 141.3(4) .
O44 P11 O43 Zn6 -92.2(4) .
O11 P11 O43 Zn6 22.3(5) .
O45 P11 O44 Zn6 -130.3(3) 2_765
O43 P11 O44 Zn6 104.6(4) 2_765
O11 P11 O44 Zn6 -12.7(4) 2_765
O48 P12 O46 Zn2 45.7(5) .
O47 P12 O46 Zn2 173.6(4) .
O12 P12 O46 Zn2 -69.7(5) .
O48 P12 O47 Zn6 -61.0(5) .
O46 P12 O47 Zn6 171.8(4) .
O12 P12 O47 Zn6 54.3(5) .
O46 P12 O48 Zn7 -113.0(6) .
O47 P12 O48 Zn7 124.0(6) .
O12 P12 O48 Zn7 5.9(7) .
P1 O1 C1 C6 -124.4(6) .
P1 O1 C1 C2 117.6(6) .
P2 O2 C2 C1 -95.5(7) .
P2 O2 C2 C3 146.0(5) .
O1 C1 C2 O2 -61.3(8) .
C6 C1 C2 O2 -177.6(6) .
O1 C1 C2 C3 56.4(8) .
C6 C1 C2 C3 -59.8(8) .
P3 O3 C3 C4 -130.3(6) .
P3 O3 C3 C2 108.1(6) .
O2 C2 C3 O3 -59.5(8) .
C1 C2 C3 O3 -178.9(6) .
O2 C2 C3 C4 179.8(6) .
C1 C2 C3 C4 60.4(8) .
P4 O4 C4 C3 -122.5(6) .
P4 O4 C4 C5 118.4(6) .
O3 C3 C4 O4 63.0(7) .
C2 C3 C4 O4 -176.1(6) .
O3 C3 C4 C5 -178.8(6) .
C2 C3 C4 C5 -57.9(8) .
P5 O5 C5 C6 -112.8(6) .
P5 O5 C5 C4 127.8(5) .
O4 C4 C5 O5 -68.0(7) .
C3 C4 C5 O5 173.8(6) .
O4 C4 C5 C6 174.0(6) .
C3 C4 C5 C6 55.8(8) .
P6 O6 C6 C1 90.5(7) .
P6 O6 C6 C5 -148.0(5) .
O1 C1 C6 O6 62.3(8) .
C2 C1 C6 O6 178.8(6) .
O1 C1 C6 C5 -57.5(8) .
C2 C1 C6 C5 59.1(8) .
O5 C5 C6 O6 65.3(7) .
C4 C5 C6 O6 -177.6(6) .
O5 C5 C6 C1 -173.7(6) .
C4 C5 C6 C1 -56.6(8) .
P7 O7 C7 C12 -122.7(6) .
P7 O7 C7 C8 118.0(6) .
P8 O8 C8 C7 -103.2(7) .
P8 O8 C8 C9 135.7(6) .
O7 C7 C8 O8 -59.7(8) .
C12 C7 C8 O8 -176.9(6) .
O7 C7 C8 C9 60.4(8) .
C12 C7 C8 C9 -56.8(8) .
P9 O9 C9 C10 -119.3(6) .
P9 O9 C9 C8 120.2(6) .
O8 C8 C9 O9 -59.5(8) .
C7 C8 C9 O9 -180.0(6) .
O8 C8 C9 C10 -178.8(6) .
C7 C8 C9 C10 60.7(8) .
P10 O10 C10 C11 125.7(5) .
P10 O10 C10 C9 -117.2(6) .
O9 C9 C10 O10 66.8(7) .
C8 C9 C10 O10 -174.2(6) .
O9 C9 C10 C11 -177.4(6) .
C8 C9 C10 C11 -58.4(8) .
P11 O11 C11 C10 134.1(5) .
P11 O11 C11 C12 -101.5(6) .
O10 C10 C11 O11 -67.8(7) .
C9 C10 C11 O11 176.0(6) .
O10 C10 C11 C12 170.7(6) .
C9 C10 C11 C12 54.5(8) .
P12 O12 C12 C7 100.5(7) .
P12 O12 C12 C11 -139.8(5) .
O7 C7 C12 O12 48.6(8) .
C8 C7 C12 O12 166.6(6) .
O7 C7 C12 C11 -66.1(8) .
C8 C7 C12 C11 51.9(8) .
O11 C11 C12 O12 68.2(7) .
C10 C11 C12 O12 -170.6(6) .
O11 C11 C12 C7 -173.5(6) .
C10 C11 C12 C7 -52.3(8) .
