#------------------------------------------------------------------------------
#$Date: 2016-03-26 18:17:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180421 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/90/7209062.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_7209062
loop_
_publ_author_name
'Wang, Yan'
'Wang, La-Mei'
'Li, Zhi-Fang'
'Hu, Yang-Yang'
'Li, Guang-Hua'
'Xiao, Li-Na'
'Wang, Tie-gang'
'Zheng, Da-Fang'
'Cui, Xiao-Bing'
'Xu, Ji-Qing'
_publ_section_title
;
 The syntheses, structures and characterizations of a series of frameworks
 constructed from polyoxometalates, metals and organic units
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              285
_journal_paper_doi               10.1039/c2ce26477c
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C50 H48 Cl2 N10 Ni2 O43 Si W12'
_chemical_formula_weight         3899.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 104.651(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.2049(9)
_cell_length_b                   14.9418(7)
_cell_length_c                   20.5766(12)
_cell_measurement_temperature    293(2)
_cell_volume                     3927.9(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0885
_diffrn_reflns_av_sigmaI/netI    0.1283
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23063
_diffrn_reflns_theta_full        27.39
_diffrn_reflns_theta_max         27.39
_diffrn_reflns_theta_min         1.02
_exptl_absorpt_coefficient_mu    18.137
_exptl_absorpt_correction_T_max  0.1222
_exptl_absorpt_correction_T_min  0.0709
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_density_diffrn    3.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3508
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         6.065
_refine_diff_density_min         -2.966
_refine_diff_density_rms         0.594
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.47(2)
_refine_ls_extinction_coef       0.00030(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1083
_refine_ls_number_reflns         14166
_refine_ls_number_restraints     473
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1190
_refine_ls_R_factor_gt           0.0698
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1044P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1645
_refine_ls_wR_factor_ref         0.2042
_reflns_number_gt                9264
_reflns_number_total             14166
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce26477c.txt
_cod_data_source_block           k_2
_cod_original_sg_symbol_H-M      p2(1)
_cod_database_code               7209062
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W -0.33977(11) -0.15188(11) 0.33445(7) 0.0276(3) Uani 1 1 d .
W2 W -0.36360(11) -0.16304(11) 0.15351(8) 0.0309(4) Uani 1 1 d .
W3 W -0.17861(11) 0.21303(11) 0.16845(7) 0.0295(4) Uani 1 1 d .
W4 W -0.15600(11) 0.22264(11) 0.33570(8) 0.0310(4) Uani 1 1 d .
W5 W -0.24006(12) 0.03163(12) 0.42295(7) 0.0328(4) Uani 1 1 d .
W6 W -0.08319(13) -0.10371(11) 0.36127(7) 0.0319(4) Uani 1 1 d .
W7 W -0.28670(12) 0.01259(12) 0.07263(7) 0.0344(4) Uani 1 1 d .
W8 W -0.45919(12) 0.15931(11) 0.13859(7) 0.0320(4) Uani 1 1 d .
W9 W 0.00305(12) 0.08679(11) 0.27562(7) 0.0303(4) Uani 1 1 d .
W10 W -0.43547(13) 0.16568(11) 0.30497(7) 0.0319(4) Uani 1 1 d .
W11 W -0.53576(12) -0.01587(11) 0.21796(7) 0.0292(4) Uani 1 1 d .
W12 W -0.10980(13) -0.11162(11) 0.17893(7) 0.0309(4) Uani 1 1 d .
Ni1 Ni -0.5639(3) 0.3718(3) 0.35380(19) 0.0208(10) Uani 1 1 d .
Ni2 Ni 0.0639(3) 0.6972(3) 0.14827(19) 0.0212(10) Uani 1 1 d .
Cl1 Cl -0.6506(7) 0.5065(8) 0.3618(5) 0.041(3) Uani 1 1 d .
Cl2 Cl 0.1565(8) 0.5647(8) 0.1413(6) 0.046(3) Uani 1 1 d .
Si1 Si -0.2650(7) 0.0287(7) 0.2467(5) 0.0161(16) Uani 1 1 d .
O1 O -0.3809(19) 0.0672(17) 0.2351(11) 0.031(6) Uani 1 1 d U
O2 O -0.2632(19) -0.0356(17) 0.1855(11) 0.031(6) Uani 1 1 d U
O3 O -0.1814(17) 0.1100(16) 0.2524(10) 0.026(5) Uani 1 1 d U
O4 O -0.2460(16) -0.0309(14) 0.3174(9) 0.017(4) Uani 1 1 d U
O5 O -0.564(2) 0.070(2) 0.1463(14) 0.050(8) Uani 1 1 d .
O6 O -0.365(2) -0.098(2) 0.0709(13) 0.042(6) Uani 1 1 d U
O7 O -0.204(2) 0.117(2) 0.1117(13) 0.055(9) Uani 1 1 d .
O8 O 0.133(3) 0.085(2) 0.2905(16) 0.067(9) Uani 1 1 d U
O9 O -0.402(2) 0.069(2) 0.0880(15) 0.055(8) Uani 1 1 d .
O10 O -0.166(2) 0.1267(19) 0.3981(15) 0.052(8) Uani 1 1 d .
O11 O -0.393(3) -0.248(2) 0.3613(15) 0.061(9) Uani 1 1 d .
O12 O -0.1948(18) -0.1835(17) 0.3649(11) 0.030(6) Uani 1 1 d U
O13 O -0.119(3) 0.317(2) 0.3878(12) 0.061(10) Uani 1 1 d .
O14 O -0.3076(16) 0.2274(16) 0.3105(10) 0.026(5) Uani 1 1 d U
O15 O -0.528(2) 0.226(2) 0.0811(13) 0.044(7) Uani 1 1 d U
O16 O -0.0195(18) -0.0008(17) 0.3382(11) 0.029(5) Uani 1 1 d U
O17 O -0.321(2) -0.0815(17) 0.4136(11) 0.032(6) Uani 1 1 d .
O18 O -0.4773(17) -0.0967(17) 0.1661(11) 0.027(5) Uani 1 1 d U
O19 O -0.3381(17) -0.1899(16) 0.2473(11) 0.024(5) Uani 1 1 d U
O20 O -0.659(2) -0.0602(19) 0.2049(13) 0.041(7) Uani 1 1 d U
O21 O -0.168(2) -0.0569(17) 0.0874(12) 0.041(7) Uani 1 1 d .
O22 O -0.455(2) -0.085(2) 0.2917(13) 0.046(7) Uani 1 1 d U
O23 O -0.101(2) -0.1360(19) 0.2703(14) 0.050(8) Uani 1 1 d .
O24 O -0.548(2) 0.0758(19) 0.2778(13) 0.041(7) Uani 1 1 d U
O25 O -0.031(2) -0.004(2) 0.2134(14) 0.050(7) Uani 1 1 d U
O26 O 0.0229(18) -0.1660(19) 0.4024(12) 0.034(6) Uani 1 1 d U
O27 O -0.426(2) -0.256(2) 0.1180(13) 0.041(7) Uani 1 1 d U
O28 O -0.0173(15) -0.1820(15) 0.1585(10) 0.017(5) Uani 1 1 d U
O29 O -0.0349(17) 0.1653(17) 0.2055(10) 0.026(6) Uani 1 1 d .
O30 O -0.023(2) 0.1788(19) 0.3358(13) 0.044(7) Uani 1 1 d U
O31 O -0.4933(17) 0.2429(17) 0.3451(11) 0.026(5) Uani 1 1 d U
O32 O -0.3299(17) 0.2190(17) 0.1540(11) 0.028(5) Uani 1 1 d U
O33 O -0.3643(18) 0.092(2) 0.3802(13) 0.042(7) Uani 1 1 d .
O34 O -0.1135(19) -0.044(2) 0.4369(14) 0.045(8) Uani 1 1 d .
O35 O -0.305(3) 0.026(2) -0.0112(14) 0.062(9) Uani 1 1 d .
O36 O -0.155(3) 0.296(2) 0.1183(16) 0.056(9) Uani 1 1 d .
O37 O -0.160(2) 0.273(2) 0.2520(14) 0.047(7) Uani 1 1 d U
O38 O -0.4834(18) 0.2062(18) 0.2161(11) 0.032(6) Uani 1 1 d U
O39 O -0.2255(18) -0.1936(18) 0.1577(15) 0.043(7) Uani 1 1 d .
O40 O -0.2306(18) 0.0529(17) 0.5046(12) 0.030(6) Uani 1 1 d U
N1 N -0.972(3) 0.045(3) 0.5616(17) 0.049(9) Uani 1 1 d U
N2 N -0.653(2) 0.3025(19) 0.4080(12) 0.019(6) Uani 1 1 d U
N3 N -0.0406(18) 0.6264(17) 0.1931(11) 0.010(5) Uani 1 1 d U
N4 N -0.456(2) 0.440(2) 0.3068(14) 0.030(7) Uani 1 1 d U
N5 N 0.149(2) 0.7758(19) 0.0972(13) 0.021(6) Uani 1 1 d U
N6 N 0.451(2) 1.028(2) -0.0746(14) 0.031(7) Uani 1 1 d U
N7 N -0.160(2) 0.241(2) 0.7572(14) 0.029(7) Uani 1 1 d U
N8 N -0.4526(18) 0.3810(18) 0.4440(11) 0.015(5) Uani 1 1 d U
N9 N -0.960(2) 0.181(2) -0.0524(16) 0.035(8) Uani 1 1 d .
N10 N -0.6672(17) 0.3315(17) 0.2652(11) 0.012(5) Uani 1 1 d .
C1 C -0.903(3) -0.006(3) 0.5311(19) 0.042(10) Uani 1 1 d U
H1A H -0.9022 -0.0684 0.5298 0.051 Uiso 1 1 calc R
C2 C -0.835(3) 0.047(3) 0.5037(18) 0.036(9) Uani 1 1 d U
H2A H -0.7774 0.0222 0.4929 0.043 Uiso 1 1 calc R
C3 C -0.856(3) 0.134(4) 0.493(2) 0.054(14) Uani 1 1 d .
C4 C -0.784(3) 0.192(3) 0.464(2) 0.043(10) Uani 1 1 d U
C5 C -0.681(3) 0.171(3) 0.4714(19) 0.044(10) Uani 1 1 d U
H5A H -0.6552 0.1174 0.4925 0.053 Uiso 1 1 calc R
C6 C -0.613(3) 0.225(3) 0.4489(19) 0.043(10) Uani 1 1 d U
H6A H -0.5420 0.2128 0.4599 0.051 Uiso 1 1 calc R
C7 C -0.757(3) 0.321(3) 0.3970(18) 0.034(9) Uani 1 1 d U
H7A H -0.7887 0.3665 0.3684 0.040 Uiso 1 1 calc R
C8 C -0.816(4) 0.263(3) 0.434(2) 0.052(11) Uani 1 1 d U
H8A H -0.8837 0.2820 0.4337 0.062 Uiso 1 1 calc R
C9 C -0.933(3) 0.179(3) 0.522(2) 0.053(11) Uani 1 1 d U
H9A H -0.9384 0.2408 0.5180 0.064 Uiso 1 1 calc R
C10 C -0.995(3) 0.138(3) 0.5525(19) 0.044(10) Uani 1 1 d U
H10A H -1.0477 0.1664 0.5669 0.052 Uiso 1 1 calc R
C11 C -0.086(3) 0.559(2) 0.1672(17) 0.026(8) Uani 1 1 d U
H11A H -0.0675 0.5361 0.1298 0.031 Uiso 1 1 calc R
C12 C -0.163(3) 0.513(3) 0.190(2) 0.051(11) Uani 1 1 d U
H12A H -0.1880 0.4583 0.1714 0.061 Uiso 1 1 calc R
C13 C -0.203(3) 0.552(2) 0.2404(15) 0.021(7) Uani 1 1 d U
C14 C -0.293(3) 0.509(3) 0.2659(16) 0.029(8) Uani 1 1 d U
C15 C -0.339(3) 0.437(3) 0.2389(17) 0.028(8) Uani 1 1 d U
H15A H -0.3129 0.4082 0.2065 0.034 Uiso 1 1 calc R
C16 C -0.423(2) 0.400(2) 0.2550(15) 0.021(7) Uani 1 1 d U
H16A H -0.4569 0.3508 0.2323 0.025 Uiso 1 1 calc R
C17 C -0.404(2) 0.513(2) 0.3359(15) 0.022(7) Uani 1 1 d U
H17A H -0.4235 0.5378 0.3724 0.026 Uiso 1 1 calc R
C18 C -0.328(3) 0.550(2) 0.3157(16) 0.024(8) Uani 1 1 d U
H18A H -0.2984 0.6027 0.3349 0.029 Uiso 1 1 calc R
C19 C -0.151(3) 0.633(3) 0.271(2) 0.044(10) Uani 1 1 d U
H19A H -0.1708 0.6638 0.3050 0.053 Uiso 1 1 calc R
C20 C -0.067(3) 0.659(3) 0.2457(16) 0.026(7) Uani 1 1 d U
H20A H -0.0257 0.7051 0.2685 0.031 Uiso 1 1 calc R
C21 C 0.252(3) 0.759(3) 0.1041(19) 0.049(13) Uani 1 1 d .
H21A H 0.2803 0.7116 0.1323 0.059 Uiso 1 1 calc R
C22 C 0.315(3) 0.799(3) 0.0776(15) 0.032(9) Uani 1 1 d U
H22A H 0.3842 0.7810 0.0854 0.038 Uiso 1 1 calc R
C23 C 0.275(3) 0.873(2) 0.0344(16) 0.026(7) Uani 1 1 d U
C24 C 0.336(2) 0.928(2) -0.0047(15) 0.017(7) Uani 1 1 d U
C25 C 0.415(3) 0.892(3) -0.0297(16) 0.030(7) Uani 1 1 d DU
H25A H 0.4372 0.8331 -0.0206 0.036 Uiso 1 1 calc R
C26 C 0.462(4) 0.949(3) -0.071(2) 0.060(10) Uani 1 1 d DU
H26A H 0.5038 0.9225 -0.0953 0.072 Uiso 1 1 calc R
C27 C 0.393(3) 1.076(3) -0.0443(19) 0.043(10) Uani 1 1 d U
H27A H 0.3897 1.1384 -0.0474 0.051 Uiso 1 1 calc R
C28 C 0.330(3) 1.024(3) -0.003(2) 0.051(11) Uani 1 1 d U
H28A H 0.2893 1.0526 0.0211 0.061 Uiso 1 1 calc R
C29 C 0.165(3) 0.895(4) 0.029(2) 0.053(11) Uani 1 1 d U
H29A H 0.1331 0.9437 0.0038 0.064 Uiso 1 1 calc R
C30 C 0.112(3) 0.846(2) 0.0598(16) 0.025(8) Uani 1 1 d .
H30A H 0.0426 0.8614 0.0554 0.030 Uiso 1 1 calc R
C31 C -0.181(3) 0.329(3) 0.7552(17) 0.029(8) Uani 1 1 d .
H31A H -0.1601 0.3644 0.7936 0.035 Uiso 1 1 calc R
C32 C -0.239(3) 0.370(3) 0.6892(18) 0.041(10) Uani 1 1 d U
H32A H -0.2565 0.4302 0.6852 0.049 Uiso 1 1 calc R
C33 C -0.267(3) 0.309(3) 0.632(2) 0.041(10) Uani 1 1 d U
C34 C -0.330(3) 0.346(3) 0.5731(16) 0.028(8) Uani 1 1 d U
C35 C -0.414(2) 0.385(2) 0.5670(15) 0.024(7) Uani 1 1 d U
H35A H -0.4385 0.3961 0.6047 0.029 Uiso 1 1 calc R
C36 C -0.476(3) 0.414(3) 0.4997(18) 0.034(9) Uani 1 1 d U
H36A H -0.5297 0.4552 0.4958 0.040 Uiso 1 1 calc R
C37 C -0.362(2) 0.347(2) 0.4516(14) 0.013(6) Uani 1 1 d U
H37A H -0.3377 0.3452 0.4130 0.016 Uiso 1 1 calc R
C38 C -0.289(3) 0.310(3) 0.5128(18) 0.038(9) Uani 1 1 d U
H38A H -0.2317 0.2739 0.5150 0.046 Uiso 1 1 calc R
C39 C -0.231(2) 0.222(3) 0.6443(16) 0.024(7) Uani 1 1 d U
H39A H -0.2417 0.1825 0.6082 0.028 Uiso 1 1 calc R
C40 C -0.182(2) 0.191(2) 0.7063(15) 0.022(7) Uani 1 1 d U
H40A H -0.1643 0.1308 0.7113 0.026 Uiso 1 1 calc R
C41 C -0.864(2) 0.214(3) -0.0470(16) 0.026(7) Uani 1 1 d U
H41A H -0.8390 0.2202 -0.0851 0.032 Uiso 1 1 calc R
C42 C -0.800(3) 0.240(3) 0.0167(17) 0.034(9) Uani 1 1 d U
H42A H -0.7315 0.2584 0.0201 0.041 Uiso 1 1 calc R
C43 C -0.837(3) 0.238(2) 0.0744(14) 0.024(8) Uani 1 1 d .
C44 C -0.778(2) 0.259(2) 0.1394(15) 0.021(7) Uani 1 1 d U
C45 C -0.733(2) 0.348(3) 0.1481(16) 0.025(7) Uani 1 1 d U
H45A H -0.7381 0.3821 0.1096 0.030 Uiso 1 1 calc R
C46 C -0.681(3) 0.387(3) 0.2094(17) 0.036(9) Uani 1 1 d U
H46A H -0.6571 0.4455 0.2126 0.043 Uiso 1 1 calc R
C47 C -0.704(3) 0.248(3) 0.2565(18) 0.035(9) Uani 1 1 d U
H47A H -0.6871 0.2109 0.2940 0.042 Uiso 1 1 calc R
C48 C -0.762(3) 0.212(3) 0.1996(17) 0.037(9) Uani 1 1 d U
H48A H -0.7923 0.1553 0.2003 0.045 Uiso 1 1 calc R
C49 C -0.930(3) 0.198(3) 0.0689(17) 0.031(8) Uani 1 1 d U
H49A H -0.9591 0.1972 0.1058 0.038 Uiso 1 1 calc R
C50 C -0.989(3) 0.156(3) 0.0036(16) 0.026(7) Uani 1 1 d U
H50A H -1.0429 0.1147 0.0019 0.031 Uiso 1 1 calc R
OW1 O -0.421(2) 0.069(2) -0.1503(14) 0.047(8) Uani 1 1 d .
OW2 O -0.093(3) 0.991(2) -0.3604(15) 0.064(9) Uani 1 1 d U
OW3 O -0.419(3) 0.170(2) -0.2640(15) 0.074(11) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
Si Si 0.0817 0.0704 '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'
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
O11 W1 O22 104.1(13) . .
O11 W1 O19 98.9(13) . .
O22 W1 O19 85.2(11) . .
O11 W1 O17 99.1(13) . .
O22 W1 O17 91.2(12) . .
O19 W1 O17 162.0(10) . .
O11 W1 O12 98.3(12) . .
O22 W1 O12 157.5(12) . .
O19 W1 O12 89.2(9) . .
O17 W1 O12 87.5(11) . .
O11 W1 O4 169.2(11) . .
O22 W1 O4 85.0(11) . .
O19 W1 O4 87.5(9) . .
O17 W1 O4 74.6(8) . .
O12 W1 O4 73.0(9) . .
O27 W2 O39 100.4(12) . .
O27 W2 O18 100.2(12) . .
O39 W2 O18 159.3(11) . .
O27 W2 O19 101.8(11) . .
O39 W2 O19 88.9(11) . .
O18 W2 O19 85.1(9) . .
O27 W2 O6 97.9(12) . .
O39 W2 O6 87.5(12) . .
O18 W2 O6 91.5(10) . .
O19 W2 O6 160.3(11) . .
O27 W2 O2 169.1(10) . .
O39 W2 O2 72.9(10) . .
O18 W2 O2 87.0(10) . .
O19 W2 O2 86.8(9) . .
O6 W2 O2 73.6(10) . .
O36 W3 O7 102.6(14) . .
O36 W3 O37 101.8(14) . .
O7 W3 O37 155.6(13) . .
O36 W3 O32 102.3(13) . .
O7 W3 O32 85.8(11) . .
O37 W3 O32 90.5(11) . .
O36 W3 O29 101.1(13) . .
O7 W3 O29 87.9(11) . .
O37 W3 O29 86.0(10) . .
O32 W3 O29 156.6(10) . .
O36 W3 O3 168.6(13) . .
O7 W3 O3 85.3(11) . .
O37 W3 O3 70.3(11) . .
O32 W3 O3 86.3(9) . .
O29 W3 O3 70.8(9) . .
O13 W4 O37 100.1(14) . .
O13 W4 O30 99.3(13) . .
O37 W4 O30 87.2(12) . .
O13 W4 O14 104.0(12) . .
O37 W4 O14 87.2(10) . .
O30 W4 O14 156.6(11) . .
O13 W4 O10 104.0(12) . .
O37 W4 O10 155.9(12) . .
O30 W4 O10 87.7(12) . .
O14 W4 O10 88.2(10) . .
O13 W4 O3 167.4(12) . .
O37 W4 O3 69.8(11) . .
O30 W4 O3 73.4(10) . .
O14 W4 O3 83.4(9) . .
O10 W4 O3 86.1(9) . .
O40 W5 O10 102.6(12) . .
O40 W5 O33 102.2(12) . .
O10 W5 O33 87.9(11) . .
O40 W5 O34 96.7(12) . .
O10 W5 O34 89.3(11) . .
O33 W5 O34 161.1(12) . .
O40 W5 O17 99.1(10) . .
O10 W5 O17 158.2(10) . .
O33 W5 O17 88.7(11) . .
O34 W5 O17 86.9(11) . .
O40 W5 O4 167.2(10) . .
O10 W5 O4 86.9(10) . .
O33 W5 O4 86.4(10) . .
O34 W5 O4 74.8(10) . .
O17 W5 O4 71.4(8) . .
O26 W6 O16 102.0(11) . .
O26 W6 O23 103.4(12) . .
O16 W6 O23 84.8(11) . .
O26 W6 O12 100.6(11) . .
O16 W6 O12 157.4(10) . .
O23 W6 O12 88.6(11) . .
O26 W6 O34 99.4(11) . .
O16 W6 O34 91.1(10) . .
O23 W6 O34 157.2(11) . .
O12 W6 O34 86.6(10) . .
O26 W6 O4 169.5(9) . .
O16 W6 O4 87.1(9) . .
O23 W6 O4 82.4(10) . .
O12 W6 O4 70.6(9) . .
O34 W6 O4 74.9(9) . .
O35 W7 O21 97.7(14) . .
O35 W7 O9 102.0(15) . .
O21 W7 O9 159.9(12) . .
O35 W7 O6 98.5(13) . .
O21 W7 O6 87.1(12) . .
O9 W7 O6 86.2(13) . .
O35 W7 O7 104.0(13) . .
O21 W7 O7 90.9(11) . .
O9 W7 O7 88.1(13) . .
O6 W7 O7 157.5(11) . .
O35 W7 O2 169.4(13) . .
O21 W7 O2 76.8(10) . .
O9 W7 O2 83.1(11) . .
O6 W7 O2 72.4(10) . .
O7 W7 O2 85.3(10) . .
O15 W8 O38 102.2(12) . .
O15 W8 O32 98.6(12) . .
O38 W8 O32 91.3(10) . .
O15 W8 O5 101.4(13) . .
O38 W8 O5 84.8(11) . .
O32 W8 O5 160.0(12) . .
O15 W8 O9 104.4(13) . .
O38 W8 O9 153.3(12) . .
O32 W8 O9 87.8(11) . .
O5 W8 O9 87.0(12) . .
O15 W8 O1 169.5(10) . .
O38 W8 O1 68.8(9) . .
O32 W8 O1 87.1(9) . .
O5 W8 O1 73.2(11) . .
O9 W8 O1 84.5(11) . .
O8 W9 O29 102.8(14) . .
O8 W9 O25 100.1(15) . .
O29 W9 O25 87.4(12) . .
O8 W9 O16 101.1(14) . .
O29 W9 O16 155.9(10) . .
O25 W9 O16 84.9(12) . .
O8 W9 O30 103.6(14) . .
O29 W9 O30 89.5(10) . .
O25 W9 O30 156.2(12) . .
O16 W9 O30 88.4(10) . .
O8 W9 O3 172.6(14) . .
O29 W9 O3 71.7(8) . .
O25 W9 O3 84.7(10) . .
O16 W9 O3 84.8(9) . .
O30 W9 O3 71.9(9) . .
O31 W10 O38 99.8(11) . .
O31 W10 O14 98.2(10) . .
O38 W10 O14 88.7(10) . .
O31 W10 O33 100.5(11) . .
O38 W10 O33 159.6(12) . .
O14 W10 O33 89.0(10) . .
O31 W10 O24 101.5(11) . .
O38 W10 O24 84.2(11) . .
O14 W10 O24 159.9(10) . .
O33 W10 O24 91.1(11) . .
O31 W10 O1 170.1(9) . .
O38 W10 O1 71.3(10) . .
O14 W10 O1 86.2(9) . .
O33 W10 O1 88.4(11) . .
O24 W10 O1 73.7(10) . .
O20 W11 O24 98.6(12) . .
O20 W11 O18 99.8(11) . .
O24 W11 O18 161.3(11) . .
O20 W11 O5 98.5(12) . .
O24 W11 O5 89.1(12) . .
O18 W11 O5 91.2(11) . .
O20 W11 O22 103.3(12) . .
O24 W11 O22 89.9(12) . .
O18 W11 O22 83.0(11) . .
O5 W11 O22 158.1(12) . .
O20 W11 O1 170.7(11) . .
O24 W11 O1 74.4(10) . .
O18 W11 O1 87.6(9) . .
O5 W11 O1 75.7(10) . .
O22 W11 O1 83.0(10) . .
O28 W12 O23 104.6(11) . .
O28 W12 O39 97.2(10) . .
O23 W12 O39 87.1(12) . .
O28 W12 O25 104.2(11) . .
O23 W12 O25 84.4(12) . .
O39 W12 O25 158.3(11) . .
O28 W12 O21 98.3(10) . .
O23 W12 O21 156.9(11) . .
O39 W12 O21 87.2(12) . .
O25 W12 O21 92.8(11) . .
O28 W12 O2 166.0(9) . .
O23 W12 O2 82.8(10) . .
O39 W12 O2 71.0(10) . .
O25 W12 O2 88.1(10) . .
O21 W12 O2 74.1(10) . .
N8 Ni1 N10 166.8(11) . .
N8 Ni1 N2 85.5(10) . .
N10 Ni1 N2 89.5(10) . .
N8 Ni1 O31 84.9(9) . .
N10 Ni1 O31 82.5(9) . .
N2 Ni1 O31 85.2(10) . .
N8 Ni1 N4 88.4(10) . .
N10 Ni1 N4 96.0(10) . .
N2 Ni1 N4 173.5(11) . .
O31 Ni1 N4 92.2(10) . .
N8 Ni1 Cl1 97.4(8) . .
N10 Ni1 Cl1 95.0(8) . .
N2 Ni1 Cl1 92.2(8) . .
O31 Ni1 Cl1 176.3(7) . .
N4 Ni1 Cl1 90.7(9) . .
N5 Ni2 N9 84.2(11) . 2_455
N5 Ni2 N3 172.3(10) . .
N9 Ni2 N3 90.5(10) 2_455 .
N5 Ni2 O28 85.4(9) . 1_565
N9 Ni2 O28 88.0(11) 2_455 1_565
N3 Ni2 O28 88.9(9) . 1_565
N5 Ni2 N7 90.8(11) . 2_556
N9 Ni2 N7 168.7(13) 2_455 2_556
N3 Ni2 N7 93.4(10) . 2_556
O28 Ni2 N7 81.4(10) 1_565 2_556
N5 Ni2 Cl2 95.2(8) . .
N9 Ni2 Cl2 94.0(10) 2_455 .
N3 Ni2 Cl2 90.7(7) . .
O28 Ni2 Cl2 177.9(6) 1_565 .
N7 Ni2 Cl2 96.5(9) 2_556 .
O2 Si1 O1 107.7(13) . .
O2 Si1 O3 111.3(13) . .
O1 Si1 O3 110.5(14) . .
O2 Si1 O4 109.8(13) . .
O1 Si1 O4 104.4(12) . .
O3 Si1 O4 112.7(12) . .
Si1 O1 W10 125.3(13) . .
Si1 O1 W11 126.9(14) . .
W10 O1 W11 91.9(8) . .
Si1 O1 W8 121.5(13) . .
W10 O1 W8 90.7(9) . .
W11 O1 W8 90.1(8) . .
Si1 O2 W2 126.8(13) . .
Si1 O2 W12 121.5(13) . .
W2 O2 W12 91.5(9) . .
Si1 O2 W7 124.5(14) . .
W2 O2 W7 92.7(8) . .
W12 O2 W7 89.5(8) . .
Si1 O3 W3 125.5(12) . .
Si1 O3 W4 123.6(12) . .
W3 O3 W4 92.4(8) . .
Si1 O3 W9 123.1(13) . .
W3 O3 W9 92.2(8) . .
W4 O3 W9 90.4(8) . .
Si1 O4 W1 126.3(11) . .
Si1 O4 W5 123.8(12) . .
W1 O4 W5 93.8(7) . .
Si1 O4 W6 119.8(10) . .
W1 O4 W6 93.1(8) . .
W5 O4 W6 90.9(7) . .
W11 O5 W8 121.0(15) . .
W7 O6 W2 121.3(13) . .
W3 O7 W7 151.6(16) . .
W7 O9 W8 148.3(18) . .
W5 O10 W4 149.8(15) . .
W6 O12 W1 123.3(13) . .
W10 O14 W4 147.1(14) . .
W6 O16 W9 152.9(13) . .
W1 O17 W5 120.1(10) . .
W2 O18 W11 150.3(13) . .
W1 O19 W2 148.5(14) . .
W7 O21 W12 119.5(13) . .
W1 O22 W11 153.3(16) . .
W6 O23 W12 153.8(17) . .
W11 O24 W10 120.0(13) . .
W9 O25 W12 151.2(16) . .
W12 O28 Ni2 159.0(12) . 1_545
W9 O29 W3 125.2(11) . .
W4 O30 W9 124.3(14) . .
W10 O31 Ni1 153.6(13) . .
W8 O32 W3 149.0(15) . .
W5 O33 W10 146.5(13) . .
W6 O34 W5 119.3(13) . .
W4 O37 W3 127.5(17) . .
W8 O38 W10 129.1(14) . .
W2 O39 W12 124.6(15) . .
C10 N1 C1 126(4) . .
C7 N2 C6 117(3) . .
C7 N2 Ni1 119(2) . .
C6 N2 Ni1 122(2) . .
C11 N3 C20 117(3) . .
C11 N3 Ni2 121(2) . .
C20 N3 Ni2 121(2) . .
C17 N4 C16 118(3) . .
C17 N4 Ni1 120(2) . .
C16 N4 Ni1 121(2) . .
C30 N5 C21 115(3) . .
C30 N5 Ni2 125(2) . .
C21 N5 Ni2 120(3) . .
C26 N6 C27 126(4) . .
C40 N7 C31 123(3) . .
C40 N7 Ni2 122(3) . 2_546
C31 N7 Ni2 113(2) . 2_546
C37 N8 C36 117(3) . .
C37 N8 Ni1 121(2) . .
C36 N8 Ni1 122(2) . .
C41 N9 C50 120(3) . .
C41 N9 Ni2 114(3) . 2_445
C50 N9 Ni2 125(2) . 2_445
C47 N10 C46 119(3) . .
C47 N10 Ni1 122(2) . .
C46 N10 Ni1 118(2) . .
C2 C1 N1 114(4) . .
C2 C1 H1A 123.0 . .
N1 C1 H1A 123.0 . .
C3 C2 C1 120(4) . .
C3 C2 H2A 120.2 . .
C1 C2 H2A 120.2 . .
C2 C3 C9 121(4) . .
C2 C3 C4 120(4) . .
C9 C3 C4 118(4) . .
C8 C4 C5 117(4) . .
C8 C4 C3 121(4) . .
C5 C4 C3 122(4) . .
C6 C5 C4 122(4) . .
C6 C5 H5A 118.8 . .
C4 C5 H5A 118.8 . .
C5 C6 N2 120(4) . .
C5 C6 H6A 120.0 . .
N2 C6 H6A 120.0 . .
N2 C7 C8 116(4) . .
N2 C7 H7A 121.9 . .
C8 C7 H7A 121.9 . .
C4 C8 C7 126(4) . .
C4 C8 H8A 117.2 . .
C7 C8 H8A 117.2 . .
C10 C9 C3 124(5) . .
C10 C9 H9A 117.8 . .
C3 C9 H9A 117.8 . .
C9 C10 N1 113(4) . .
C9 C10 H10A 123.6 . .
N1 C10 H10A 123.6 . .
N3 C11 C12 125(4) . .
N3 C11 H11A 117.5 . .
C12 C11 H11A 117.5 . .
C11 C12 C13 119(4) . .
C11 C12 H12A 120.3 . .
C13 C12 H12A 120.3 . .
C12 C13 C19 116(3) . .
C12 C13 C14 123(3) . .
C19 C13 C14 121(3) . .
C15 C14 C18 118(3) . .
C15 C14 C13 121(3) . .
C18 C14 C13 120(3) . .
C14 C15 C16 124(4) . .
C14 C15 H15A 118.0 . .
C16 C15 H15A 118.0 . .
C15 C16 N4 117(3) . .
C15 C16 H16A 121.4 . .
N4 C16 H16A 121.4 . .
C18 C17 N4 123(3) . .
C18 C17 H17A 118.4 . .
N4 C17 H17A 118.4 . .
C17 C18 C14 119(4) . .
C17 C18 H18A 120.4 . .
C14 C18 H18A 120.4 . .
C20 C19 C13 114(4) . .
C20 C19 H19A 123.0 . .
C13 C19 H19A 123.0 . .
N3 C20 C19 128(4) . .
N3 C20 H20A 116.2 . .
C19 C20 H20A 116.2 . .
C22 C21 N5 128(5) . .
C22 C21 H21A 115.8 . .
N5 C21 H21A 115.8 . .
C21 C22 C23 117(4) . .
C21 C22 H22A 121.3 . .
C23 C22 H22A 121.3 . .
C22 C23 C29 115(3) . .
C22 C23 C24 126(3) . .
C29 C23 C24 120(3) . .
C25 C24 C28 117(3) . .
C25 C24 C23 123(3) . .
C28 C24 C23 119(3) . .
C24 C25 C26 117(4) . .
C24 C25 H25A 121.3 . .
C26 C25 H25A 121.3 . .
N6 C26 C25 125(5) . .
N6 C26 H26A 117.7 . .
C25 C26 H26A 117.7 . .
N6 C27 C28 116(4) . .
N6 C27 H27A 122.0 . .
C28 C27 H27A 122.0 . .
C24 C28 C27 117(4) . .
C24 C28 H28A 121.4 . .
C27 C28 H28A 121.4 . .
C30 C29 C23 119(4) . .
C30 C29 H29A 120.4 . .
C23 C29 H29A 120.4 . .
C29 C30 N5 126(4) . .
C29 C30 H30A 117.2 . .
N5 C30 H30A 117.2 . .
N7 C31 C32 118(3) . .
N7 C31 H31A 120.8 . .
C32 C31 H31A 120.8 . .
C33 C32 C31 116(4) . .
C33 C32 H32A 121.9 . .
C31 C32 H32A 121.9 . .
C39 C33 C34 129(4) . .
C39 C33 C32 116(4) . .
C34 C33 C32 115(4) . .
C35 C34 C33 127(3) . .
C35 C34 C38 124(3) . .
C33 C34 C38 107(3) . .
C34 C35 C36 120(3) . .
C34 C35 H35A 119.8 . .
C36 C35 H35A 119.8 . .
N8 C36 C35 120(3) . .
N8 C36 H36A 120.2 . .
C35 C36 H36A 120.2 . .
N8 C37 C38 130(3) . .
N8 C37 H37A 115.2 . .
C38 C37 H37A 115.2 . .
C37 C38 C34 106(3) . .
C37 C38 H38A 127.2 . .
C34 C38 H38A 127.2 . .
C40 C39 C33 123(3) . .
C40 C39 H39A 118.3 . .
C33 C39 H39A 118.3 . .
N7 C40 C39 122(4) . .
N7 C40 H40A 118.8 . .
C39 C40 H40A 118.8 . .
N9 C41 C42 121(3) . .
N9 C41 H41A 119.7 . .
C42 C41 H41A 119.7 . .
C43 C42 C41 121(3) . .
C43 C42 H42A 119.3 . .
C41 C42 H42A 119.3 . .
C49 C43 C42 117(3) . .
C49 C43 C44 117(3) . .
C42 C43 C44 125(3) . .
C48 C44 C43 130(3) . .
C48 C44 C45 113(3) . .
C43 C44 C45 116(3) . .
C46 C45 C44 126(3) . .
C46 C45 H45A 117.2 . .
C44 C45 H45A 117.2 . .
N10 C46 C45 116(4) . .
N10 C46 H46A 122.2 . .
C45 C46 H46A 122.2 . .
N10 C47 C48 127(4) . .
N10 C47 H47A 116.4 . .
C48 C47 H47A 116.4 . .
C47 C48 C44 119(4) . .
C47 C48 H48A 120.4 . .
C44 C48 H48A 120.4 . .
C43 C49 C50 121(3) . .
C43 C49 H49A 119.5 . .
C50 C49 H49A 119.5 . .
N9 C50 C49 116(3) . .
N9 C50 H50A 121.8 . .
C49 C50 H50A 121.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O11 1.75(3) .
W1 O22 1.85(3) .
W1 O19 1.89(2) .
W1 O17 1.90(2) .
W1 O12 1.92(2) .
W1 O4 2.27(2) .
W2 O27 1.69(3) .
W2 O39 1.86(2) .
W2 O18 1.87(2) .
W2 O19 1.92(2) .
W2 O6 1.95(3) .
W2 O2 2.32(2) .
W3 O36 1.69(3) .
W3 O7 1.83(3) .
W3 O37 1.90(3) .
W3 O32 1.95(2) .
W3 O29 1.99(2) .
W3 O3 2.32(2) .
W4 O13 1.76(3) .
W4 O37 1.87(3) .
W4 O30 1.88(3) .
W4 O14 1.94(2) .
W4 O10 1.95(3) .
W4 O3 2.37(2) .
W5 O40 1.68(2) .
W5 O10 1.87(3) .
W5 O33 1.88(2) .
W5 O34 1.97(3) .
W5 O17 1.99(2) .
W5 O4 2.347(19) .
W6 O26 1.72(2) .
W6 O16 1.87(2) .
W6 O23 1.89(3) .
W6 O12 1.91(2) .
W6 O34 1.93(3) .
W6 O4 2.37(2) .
W7 O35 1.69(3) .
W7 O21 1.84(3) .
W7 O9 1.84(3) .
W7 O6 1.95(3) .
W7 O7 1.96(3) .
W7 O2 2.38(2) .
W8 O15 1.63(3) .
W8 O38 1.84(2) .
W8 O32 1.88(2) .
W8 O5 1.95(3) .
W8 O9 1.96(3) .
W8 O1 2.42(2) .
W9 O8 1.66(3) .
W9 O29 1.83(2) .
W9 O25 1.84(3) .
W9 O16 1.91(2) .
W9 O30 1.94(3) .
W9 O3 2.39(2) .
W10 O31 1.71(2) .
W10 O38 1.88(2) .
W10 O14 1.90(2) .
W10 O33 1.94(2) .
W10 O24 1.97(3) .
W10 O1 2.30(2) .
W11 O20 1.71(3) .
W11 O24 1.88(3) .
W11 O18 1.90(2) .
W11 O5 1.92(3) .
W11 O22 1.92(3) .
W11 O1 2.34(2) .
W12 O28 1.74(2) .
W12 O23 1.89(3) .
W12 O39 1.92(2) .
W12 O25 1.95(3) .
W12 O21 2.02(2) .
W12 O2 2.36(2) .
Ni1 N8 2.06(2) .
Ni1 N10 2.07(2) .
Ni1 N2 2.09(3) .
Ni1 O31 2.17(2) .
Ni1 N4 2.17(3) .
Ni1 Cl1 2.341(11) .
Ni2 N5 2.08(3) .
Ni2 N9 2.11(3) 2_455
Ni2 N3 2.13(2) .
Ni2 O28 2.14(2) 1_565
Ni2 N7 2.14(3) 2_556
Ni2 Cl2 2.349(11) .
Si1 O2 1.59(3) .
Si1 O1 1.59(2) .
Si1 O3 1.62(3) .
Si1 O4 1.67(2) .
O28 Ni2 2.14(2) 1_545
N1 C10 1.43(5) .
N1 C1 1.45(5) .
N2 C7 1.36(4) .
N2 C6 1.44(5) .
N3 C11 1.22(4) .
N3 C20 1.31(4) .
N4 C17 1.34(4) .
N4 C16 1.39(4) .
N5 C30 1.32(4) .
N5 C21 1.36(5) .
N6 C26 1.19(5) .
N6 C27 1.32(5) .
N7 C40 1.26(4) .
N7 C31 1.35(5) .
N7 Ni2 2.14(3) 2_546
N8 C37 1.27(4) .
N8 C36 1.35(4) .
N9 C41 1.34(4) .
N9 C50 1.36(4) .
N9 Ni2 2.11(3) 2_445
N10 C47 1.33(5) .
N10 C46 1.39(4) .
C1 C2 1.42(5) .
C1 H1A 0.9300 .
C2 C3 1.33(6) .
C2 H2A 0.9300 .
C3 C9 1.47(6) .
C3 C4 1.52(6) .
C4 C8 1.26(6) .
C4 C5 1.37(5) .
C5 C6 1.37(6) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C7 C8 1.49(6) .
C7 H7A 0.9300 .
C8 H8A 0.9300 .
C9 C10 1.30(5) .
C9 H9A 0.9300 .
C10 H10A 0.9300 .
C11 C12 1.40(5) .
C11 H11A 0.9300 .
C12 C13 1.40(5) .
C12 H12A 0.9300 .
C13 C19 1.46(5) .
C13 C14 1.55(4) .
C14 C15 1.29(5) .
C14 C18 1.37(5) .
C15 C16 1.35(4) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C18 1.30(4) .
C17 H17A 0.9300 .
C18 H18A 0.9300 .
C19 C20 1.39(5) .
C19 H19A 0.9300 .
C20 H20A 0.9300 .
C21 C22 1.25(6) .
C21 H21A 0.9300 .
C22 C23 1.44(5) .
C22 H22A 0.9300 .
C23 C29 1.47(5) .
C23 C24 1.52(4) .
C24 C25 1.39(5) .
C24 C28 1.43(6) .
C25 C26 1.443(10) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C27 C28 1.54(6) .
C27 H27A 0.9300 .
C28 H28A 0.9300 .
C29 C30 1.28(5) .
C29 H29A 0.9300 .
C30 H30A 0.9300 .
C31 C32 1.51(5) .
C31 H31A 0.9300 .
C32 C33 1.46(5) .
C32 H32A 0.9300 .
C33 C39 1.38(5) .
C33 C34 1.40(5) .
C34 C35 1.22(5) .
C34 C38 1.56(5) .
C35 C36 1.49(5) .
C35 H35A 0.9300 .
C36 H36A 0.9300 .
C37 C38 1.48(5) .
C37 H37A 0.9300 .
C38 H38A 0.9300 .
C39 C40 1.36(4) .
C39 H39A 0.9300 .
C40 H40A 0.9300 .
C41 C42 1.42(5) .
C41 H41A 0.9300 .
C42 C43 1.40(5) .
C42 H42A 0.9300 .
C43 C49 1.34(5) .
C43 C44 1.41(4) .
C44 C48 1.40(5) .
C44 C45 1.44(5) .
C45 C46 1.40(5) .
C45 H45A 0.9300 .
C46 H46A 0.9300 .
C47 C48 1.34(5) .
C47 H47A 0.9300 .
C48 H48A 0.9300 .
C49 C50 1.51(5) .
C49 H49A 0.9300 .
C50 H50A 0.9300 .
