#------------------------------------------------------------------------------
#$Date: 2019-03-15 01:02:06 +0200 (Fri, 15 Mar 2019) $
#$Revision: 214123 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/31/7123145.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_7123145
loop_
_publ_author_name
'Sun, Wenlong'
'He, Cheng'
'Liu, Tao'
'Duan, Chunying'
_publ_section_title
;
 Synergistic catalysis for light-driven proton reduction using a
 polyoxometalate-based Cu--Ni heterometallic--organic framework
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC09285K
_journal_year                    2019
_chemical_formula_moiety         'C156 H108 Cu4.50 N18 Ni4.50 O92 P2 W18'
_chemical_formula_sum            'C156 H108 Cu4.5 N18 Ni4.5 O92 P2 W18'
_chemical_formula_weight         7627.74
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           175
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 6'
_symmetry_space_group_name_H-M   'P 6/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-10-30 deposited with the CCDC.
2019-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            1
_cell_length_a                   18.858(5)
_cell_length_b                   18.858(5)
_cell_length_c                   15.577(5)
_cell_measurement_reflns_used    1819
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.32
_cell_measurement_theta_min      2.16
_cell_volume                     4797(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.1201
_diffrn_reflns_av_sigmaI/netI    0.0650
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            29458
_diffrn_reflns_theta_full        27.36
_diffrn_reflns_theta_max         27.36
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    11.772
_exptl_absorpt_correction_T_max  0.192
_exptl_absorpt_correction_T_min  0.090
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             3524.5
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         2.860
_refine_diff_density_min         -1.845
_refine_diff_density_rms         0.292
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         3761
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.1023
_refine_ls_R_factor_gt           0.0641
_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)+(0.0673P)²+199.3158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1606
_refine_ls_wR_factor_ref         0.1826
_reflns_number_gt                2569
_reflns_number_total             3782
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8cc09285k2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P6/m
_cod_original_formula_sum        'C156 H108 Cu4.50 N18 Ni4.50 O92 P2 W18'
_cod_database_code               7123145
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x-y, x, z'
'-y, x-y, z'
'-x, -y, z'
'-x+y, -x, z'
'y, -x+y, z'
'-x, -y, -z'
'-x+y, -x, -z'
'y, -x+y, -z'
'x, y, -z'
'x-y, x, -z'
'-y, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Cu1 Cu 0.5000 0.0000 0.5000 0.0247(6) Uani 0.50 4 d SP 1
Ni1 Ni 0.5000 0.0000 0.5000 0.0247(6) Uani 0.50 4 d SP 2
Ni2 Ni 0.47945(13) 0.19917(12) 0.5000 0.0320(5) Uani 0.50 2 d SP 1
Cu2 Cu 0.47945(13) 0.19917(12) 0.5000 0.0320(5) Uani 0.50 2 d SP 2
OW1 O 0.3587(9) 0.0903(8) 0.5000 0.060(5) Uani 1 2 d S .
O12 O 0.7420(7) 0.1522(7) 0.5000 0.040(3) Uani 1 2 d S .
O13 O 0.5488(7) 0.1362(7) 0.5000 0.042(3) Uani 1 2 d S .
O11 O 0.6737(8) 0.2478(7) 0.5000 0.047(4) Uani 1 2 d S .
O10 O 0.6194(6) 0.0417(6) 0.5000 0.028(3) Uani 1 2 d S .
W1 W 0.00589(3) 0.18997(3) 0.12065(4) 0.03330(13) Uani 1 1 d . .
W2 W -0.05721(6) 0.06268(6) 0.31669(7) 0.0409(3) Uani 0.50 1 d P 1
O6 O -0.0955(11) 0.0997(12) 0.3940(13) 0.0024(7) Uani 0.25 1 d PU 1
O8 O -0.05721(6) 0.06268(6) 0.31669(7) 0.0409(3) Uani 0.50 1 d P 2
P1 P 0.0000 0.0000 0.1265(4) 0.0185(13) Uani 1 6 d SU .
O5 O 0.0000 0.0000 0.2284(14) 0.030(5) Uani 1 6 d S .
O4 O 0.0108(6) 0.2803(5) 0.1406(6) 0.049(2) Uani 1 1 d . .
N2 N 0.5000 0.0000 0.3664(8) 0.026(3) Uani 1 2 d S .
O3 O 0.0106(12) 0.1962(9) 0.0000 0.082(5) Uani 1 2 d S .
O2 O 0.0061(6) 0.1554(6) 0.2374(7) 0.0030(10) Uani 0.50 1 d PU .
N1 N 0.4821(6) 0.2019(6) 0.3685(8) 0.042(3) Uani 1 1 d . .
C11 C 0.6249(9) 0.1708(9) 0.5000 0.026(3) Uani 1 2 d S .
C10 C 0.6651(9) 0.1181(10) 0.5000 0.027(4) Uani 1 2 d S .
C9 C 0.4156(7) 0.1863(8) 0.3215(10) 0.045(3) Uani 1 1 d . .
H9A H 0.3679 0.1742 0.3509 0.054 Uiso 1 1 calc R .
C8 C 0.5000 0.0000 0.1879(11) 0.032(4) Uani 1 2 d S .
C7 C 0.5614(7) -0.0011(7) 0.3204(8) 0.035(3) Uani 1 1 d . .
H7A H 0.6038 -0.0023 0.3497 0.042 Uiso 1 1 calc R .
C6 C 0.5498(8) 0.2220(9) 0.3227(10) 0.048(4) Uani 1 1 d . .
H6A H 0.5981 0.2377 0.3526 0.058 Uiso 1 1 calc R .
C5 C 0.5000 0.0000 0.0894(11) 0.032(4) Uani 1 2 d S .
C4 C 0.5529(8) 0.2211(8) 0.2344(9) 0.043(3) Uani 1 1 d . .
H4A H 0.6004 0.2300 0.2067 0.051 Uiso 1 1 calc R .
O1 O -0.1068(8) 0.1162(7) 0.1183(11) 0.121(6) Uani 1 1 d . .
C3 C 0.5712(7) 0.0160(9) 0.0427(8) 0.046(4) Uani 1 1 d . .
H3A H 0.6184 0.0266 0.0722 0.056 Uiso 1 1 calc R .
C2 C 0.4137(8) 0.1871(10) 0.2352(10) 0.053(4) Uani 1 1 d . .
H2A H 0.3655 0.1749 0.2068 0.063 Uiso 1 1 calc R .
C1 C 0.5621(7) -0.0006(9) 0.2346(9) 0.044(3) Uani 1 1 d . .
H1A H 0.6052 -0.0007 0.2057 0.053 Uiso 1 1 calc R .
C15 C 0.4870(8) 0.2105(8) 0.0924(11) 0.049(4) Uani 1 1 d . .
C14 C 0.4858(8) 0.2069(8) 0.1876(9) 0.043(3) Uani 1 1 d . .
C13 C 0.5493(8) 0.2066(11) 0.0453(10) 0.063(5) Uani 1 1 d . .
H13A H 0.5909 0.2040 0.0747 0.075 Uiso 1 1 calc R .
O7 O 0.0416(8) -0.0461(8) 0.1039(11) 0.093(4) Uani 1 1 d U .
C12 C 0.4255(9) 0.2136(12) 0.0434(10) 0.074(5) Uani 1 1 d . .
H12A H 0.3833 0.2157 0.0721 0.088 Uiso 1 1 calc R .
O9 O -0.0449(12) 0.0484(12) 0.3694(15) 0.0024(7) Uani 0.25 1 d PU .
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'
Cu Cu 0.3201 1.2651 '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'
Ni Ni 0.3393 1.1124 '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'
W W -0.8490 6.8722 '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'
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
O10 Cu1 O10 180.000(1) 7_656 .
O10 Cu1 N2 90.000(1) 7_656 7_656
O10 Cu1 N2 90.000(1) . 7_656
O10 Cu1 N2 90.000(1) 7_656 .
O10 Cu1 N2 90.000(1) . .
N2 Cu1 N2 180.000(1) 7_656 .
O10 Cu1 O13 100.8(5) 7_656 .
O10 Cu1 O13 79.2(5) . .
N2 Cu1 O13 90.000(2) 7_656 .
N2 Cu1 O13 90.000(2) . .
O10 Cu1 O13 79.2(5) 7_656 7_656
O10 Cu1 O13 100.8(5) . 7_656
N2 Cu1 O13 90.000(2) 7_656 7_656
N2 Cu1 O13 90.000(2) . 7_656
O13 Cu1 O13 180.0 . 7_656
N1 Ni2 N1 177.2(6) 10_556 .
N1 Ni2 O12 90.0(3) 10_556 8_666
N1 Ni2 O12 90.0(3) . 8_666
N1 Ni2 O11 88.6(3) 10_556 8_666
N1 Ni2 O11 88.6(3) . 8_666
O12 Ni2 O11 78.5(5) 8_666 8_666
N1 Ni2 O13 90.0(3) 10_556 .
N1 Ni2 O13 90.0(3) . .
O12 Ni2 O13 178.9(5) 8_666 .
O11 Ni2 O13 102.6(5) 8_666 .
N1 Ni2 OW1 91.4(3) 10_556 .
N1 Ni2 OW1 91.4(3) . .
O12 Ni2 OW1 82.2(5) 8_666 .
O11 Ni2 OW1 160.6(5) 8_666 .
O13 Ni2 OW1 96.7(5) . .
C10 O12 Cu2 113.5(11) . 3_655
C10 O12 Ni2 113.5(11) . 3_655
Cu2 O12 Ni2 0.00(11) 3_655 3_655
C11 O13 Ni2 124.7(11) . .
C11 O13 Cu1 107.6(11) . .
Ni2 O13 Cu1 127.7(5) . .
C11 O11 Cu2 112.9(12) . 3_655
C11 O11 Ni2 112.9(12) . 3_655
Cu2 O11 Ni2 0.00(12) 3_655 3_655
C10 O10 Cu1 116.6(11) . .
O4 W1 O1 100.3(6) . 6
O4 W1 O1 102.9(6) . .
O1 W1 O1 156.8(10) 6 .
O4 W1 O3 98.3(6) . .
O1 W1 O3 87.0(8) 6 .
O1 W1 O3 91.6(8) . .
O4 W1 O2 99.1(5) . .
O1 W1 O2 86.6(5) 6 .
O1 W1 O2 87.8(5) . .
O3 W1 O2 162.3(6) . .
O4 W1 O7 163.4(5) . 4
O1 W1 O7 95.7(6) 6 4
O1 W1 O7 61.0(6) . 4
O3 W1 O7 86.6(6) . 4
O2 W1 O7 77.6(5) . 4
O4 W1 O7 161.0(5) . 3
O1 W1 O7 61.1(6) 6 3
O1 W1 O7 95.6(6) . 3
O3 W1 O7 85.3(6) . 3
O2 W1 O7 77.2(5) . 3
O7 W1 O7 34.6(5) 4 3
O9 W2 O6 73.5(15) . .
O9 W2 O9 49.4(13) . 6
O6 W2 O9 99.1(9) . 6
O9 W2 O2 133.0(12) . 2
O6 W2 O2 103.0(7) . 2
O9 W2 O2 157.1(7) 6 2
O9 W2 W2 76.8(12) . 6
O6 W2 W2 112.3(6) . 6
O9 W2 W2 27.5(7) 6 6
O2 W2 W2 140.0(3) 2 6
O9 W2 W2 76.1(12) . 2
O6 W2 W2 109.5(6) . 2
O9 W2 W2 106.2(6) 6 2
O2 W2 W2 60.8(3) 2 2
W2 W2 W2 120.0 6 2
O9 W2 O9 48.7(13) . 2
O6 W2 O9 97.3(9) . 2
O9 W2 O9 84.5(13) 6 2
O2 W2 O9 86.9(7) 2 2
W2 W2 O9 106.1(7) 6 2
W2 W2 O9 27.4(7) 2 2
O9 W2 O2 132.8(12) . .
O6 W2 O2 105.5(7) . .
O9 W2 O2 85.8(7) 6 .
O2 W2 O2 93.8(4) 2 .
W2 W2 O2 59.6(3) 6 .
W2 W2 O2 140.3(3) 2 .
O9 W2 O2 156.3(7) 2 .
O9 W2 O5 97.1(14) . .
O6 W2 O5 170.5(8) . .
O9 W2 O5 75.1(7) 6 .
O2 W2 O5 82.2(4) 2 .
W2 W2 O5 65.84(13) 6 .
W2 W2 O5 65.84(13) 2 .
O9 W2 O5 74.9(7) 2 .
O2 W2 O5 81.7(4) . .
W2 O6 O9 31.4(9) . .
O7 P1 O7 114.5(6) 5 3
O7 P1 O7 58.1(2) 5 6
O7 P1 O7 152.4(15) 3 6
O7 P1 O7 114.5(6) 5 .
O7 P1 O7 114.5(6) 3 .
O7 P1 O7 58.1(2) 6 .
O7 P1 O7 152.4(15) 5 2
O7 P1 O7 58.1(2) 3 2
O7 P1 O7 114.5(6) 6 2
O7 P1 O7 58.1(2) . 2
O7 P1 O7 58.1(2) 5 4
O7 P1 O7 58.1(2) 3 4
O7 P1 O7 114.5(6) 6 4
O7 P1 O7 152.4(15) . 4
O7 P1 O7 114.5(6) 2 4
O7 P1 O5 103.8(7) 5 .
O7 P1 O5 103.8(7) 3 .
O7 P1 O5 103.8(7) 6 .
O7 P1 O5 103.8(7) . .
O7 P1 O5 103.8(7) 2 .
O7 P1 O5 103.8(7) 4 .
P1 O5 W2 125.1(4) . 6
P1 O5 W2 125.1(4) . 5
W2 O5 W2 48.3(3) 6 5
P1 O5 W2 125.1(4) . 2
W2 O5 W2 90.3(6) 6 2
W2 O5 W2 109.9(8) 5 2
P1 O5 W2 125.1(4) . .
W2 O5 W2 48.3(3) 6 .
W2 O5 W2 90.3(6) 5 .
W2 O5 W2 48.3(3) 2 .
P1 O5 W2 125.1(4) . 3
W2 O5 W2 109.9(8) 6 3
W2 O5 W2 90.3(6) 5 3
W2 O5 W2 48.3(3) 2 3
W2 O5 W2 90.3(6) . 3
P1 O5 W2 125.1(4) . 4
W2 O5 W2 90.3(6) 6 4
W2 O5 W2 48.3(3) 5 4
W2 O5 W2 90.3(6) 2 4
W2 O5 W2 109.9(8) . 4
W2 O5 W2 48.3(3) 3 4
C7 N2 C7 117.0(14) 4_655 .
C7 N2 Cu1 121.5(7) 4_655 .
C7 N2 Cu1 121.5(7) . .
W1 O3 W1 173.6(10) 10 .
W1 O2 W2 143.4(6) . 6
W1 O2 W2 141.5(5) . .
W2 O2 W2 59.7(3) 6 .
C6 N1 C9 114.9(13) . .
C6 N1 Ni2 123.1(9) . .
C9 N1 Ni2 121.9(9) . .
O13 C11 O11 125.7(16) . .
O13 C11 C10 118.6(13) . .
O11 C11 C10 115.7(14) . .
O10 C10 O12 122.7(16) . .
O10 C10 C11 118.0(13) . .
O12 C10 C11 119.3(14) . .
C2 C9 N1 124.5(13) . .
C2 C9 H9A 117.7 . .
N1 C9 H9A 117.7 . .
C1 C8 C1 116.6(16) . 4_655
C1 C8 C5 121.7(8) . .
C1 C8 C5 121.7(8) 4_655 .
C1 C7 N2 121.8(12) . .
C1 C7 H7A 119.1 . .
N2 C7 H7A 119.1 . .
N1 C6 C4 124.7(13) . .
N1 C6 H6A 117.7 . .
C4 C6 H6A 117.7 . .
C3 C5 C3 118.4(16) 4_655 .
C3 C5 C8 120.8(8) 4_655 .
C3 C5 C8 120.8(8) . .
C14 C4 C6 119.5(13) . .
C14 C4 H4A 120.2 . .
C6 C4 H4A 120.2 . .
W1 O1 W1 143.1(9) 2 .
C3 C3 C5 120.8(8) 10 .
C3 C3 H3A 119.6 10 .
C5 C3 H3A 119.6 . .
C9 C2 C14 119.7(13) . .
C9 C2 H2A 120.1 . .
C14 C2 H2A 120.1 . .
C7 C1 C8 121.4(12) . .
C7 C1 H1A 119.3 . .
C8 C1 H1A 119.3 . .
C12 C15 C13 116.2(15) . .
C12 C15 C14 123.1(14) . .
C13 C15 C14 120.6(14) . .
C4 C14 C2 116.3(13) . .
C4 C14 C15 122.1(13) . .
C2 C14 C15 121.6(13) . .
C15 C13 C13 121.1(9) . 10
C15 C13 H13A 119.4 . .
C13 C13 H13A 119.4 10 .
O7 O7 O7 120.000(5) 2 6
O7 O7 P1 60.95(10) 2 .
O7 O7 P1 60.95(10) 6 .
O7 O7 W1 165.8(7) 2 4
O7 O7 W1 72.9(8) 6 4
P1 O7 W1 129.1(8) . 4
O7 O7 W1 72.5(8) 2 5
O7 O7 W1 166.2(7) 6 5
P1 O7 W1 128.7(8) . 5
W1 O7 W1 94.1(5) 4 5
C12 C12 C15 122.6(9) 10 .
C12 C12 H12A 118.7 10 .
C15 C12 H12A 118.7 . .
W2 O9 O9 103.1(14) . 6
W2 O9 O9 104.1(15) . 2
O9 O9 O9 120.000(5) 6 2
W2 O9 O6 75.0(15) . .
O9 O9 O6 120.2(14) 6 .
O9 O9 O6 118.2(14) 2 .
W2 O9 W2 76.5(13) . 2
O9 O9 W2 127.8(7) 6 2
O9 O9 W2 27.6(8) 2 2
O6 O9 W2 110.3(12) . 2
W2 O9 W2 75.8(12) . 6
O9 O9 W2 27.3(8) 6 6
O9 O9 W2 127.5(7) 2 6
O6 O9 W2 112.5(12) . 6
W2 O9 W2 119.7(11) 2 6
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O10 1.979(10) 7_656
Cu1 O10 1.979(10) .
Cu1 N2 2.082(13) 7_656
Cu1 N2 2.082(13) .
Cu1 O13 2.255(12) .
Cu1 O13 2.255(12) 7_656
Ni2 N1 2.048(12) 10_556
Ni2 N1 2.048(12) .
Ni2 O12 2.094(12) 8_666
Ni2 O11 2.158(14) 8_666
Ni2 O13 2.160(14) .
Ni2 OW1 2.173(13) .
O12 C10 1.260(18) .
O12 Cu2 2.094(12) 3_655
O12 Ni2 2.094(12) 3_655
O13 C11 1.246(19) .
O11 C11 1.273(18) .
O11 Cu2 2.158(14) 3_655
O11 Ni2 2.158(14) 3_655
O10 C10 1.255(18) .
W1 O4 1.688(9) .
W1 O1 1.849(11) 6
W1 O1 1.870(11) .
W1 O3 1.8823(12) .
W1 O2 1.932(11) .
W1 O7 2.408(14) 4
W1 O7 2.413(13) 3
W2 O9 0.93(2) .
W2 O6 1.72(2) .
W2 O9 1.95(2) 6
W2 O2 1.957(11) 2
W2 W2 1.9586(12) 6
W2 W2 1.9586(12) 2
W2 O9 1.967(19) 2
W2 O2 1.981(10) .
W2 O5 2.393(12) .
O6 O9 1.71(3) .
P1 O7 1.476(14) 5
P1 O7 1.476(14) 3
P1 O7 1.476(14) 6
P1 O7 1.476(14) .
P1 O7 1.476(14) 2
P1 O7 1.476(14) 4
P1 O5 1.59(2) .
O5 W2 2.393(12) 6
O5 W2 2.393(12) 5
O5 W2 2.393(12) 2
O5 W2 2.393(12) 3
O5 W2 2.393(12) 4
N2 C7 1.372(14) 4_655
N2 C7 1.372(14) .
O3 W1 1.8823(12) 10
O2 W2 1.957(11) 6
N1 C6 1.343(17) .
N1 C9 1.351(17) .
C11 C10 1.52(2) .
C9 C2 1.34(2) .
C9 H9A 0.9300 .
C8 C1 1.383(15) .
C8 C1 1.383(15) 4_655
C8 C5 1.53(2) .
C7 C1 1.336(18) .
C7 H7A 0.9300 .
C6 C4 1.38(2) .
C6 H6A 0.9300 .
C5 C3 1.421(15) 4_655
C5 C3 1.421(15) .
C4 C14 1.367(19) .
C4 H4A 0.9300 .
O1 W1 1.849(11) 2
C3 C3 1.33(2) 10
C3 H3A 0.9300 .
C2 C14 1.425(19) .
C2 H2A 0.9300 .
C1 H1A 0.9300 .
C15 C12 1.41(2) .
C15 C13 1.42(2) .
C15 C14 1.48(2) .
C13 C13 1.41(3) 10
C13 H13A 0.9300 .
O7 O7 1.434(14) 2
O7 O7 1.434(14) 6
O7 W1 2.408(14) 4
O7 W1 2.413(13) 5
C12 C12 1.35(3) 10
C12 H12A 0.9300 .
O9 O9 1.52(2) 6
O9 O9 1.52(2) 2
O9 W2 1.95(2) 2
O9 W2 1.967(19) 6
