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#$Date: 2016-03-25 13:57:40 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179872 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/68/7016875.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_7016875
loop_
_publ_author_name
'Zhang, Wenhua'
'Hor, T. S. Andy'
_publ_section_title
;
 Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide
 (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii).
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10725
_journal_page_last               10730
_journal_paper_doi               10.1039/c1dt10920k
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C72 H66 Cl Fe3 I4 O6 P4'
_chemical_formula_weight         1861.73
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.3280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   30.6672(16)
_cell_length_b                   14.5893(7)
_cell_length_c                   18.7987(9)
_cell_measurement_temperature    223(2)
_cell_volume                     7184.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0385
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20457
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    2.493
_exptl_absorpt_correction_T_max  0.5218
_exptl_absorpt_correction_T_min  0.3162
_exptl_crystal_density_diffrn    1.721
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3652
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         4.176
_refine_diff_density_min         -2.682
_refine_diff_density_rms         0.189
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         6314
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0712
_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)+(0.1222P)²+93.7319P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2056
_refine_ls_wR_factor_ref         0.2128
_reflns_number_gt                5452
_reflns_number_total             6314
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10920k.txt
_cod_data_source_block           Cpd6
_cod_database_code               7016875
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.5000 0.29103(13) 0.2500 0.0388(4) Uani 1 2 d S . .
Fe2 Fe 0.51294(4) 0.25764(6) 0.51440(6) 0.0290(3) Uani 1 1 d . . .
I1 I 0.5000 0.48135(6) 0.2500 0.0601(3) Uani 1 2 d S . .
P1 P 0.41503(6) 0.28652(11) 0.32032(10) 0.0256(4) Uani 1 1 d . . .
P2 P 0.40357(6) 0.23835(12) 0.04584(11) 0.0290(4) Uani 1 1 d . . .
O1 O 0.44704(17) 0.2666(3) 0.2833(3) 0.0295(10) Uani 1 1 d . . .
O2 O 0.44280(19) 0.2662(4) 0.1322(3) 0.0340(11) Uani 1 1 d . . .
C1 C 0.4535(3) 0.3298(5) 0.4235(4) 0.0320(15) Uani 1 1 d . . .
C2 C 0.4479(3) 0.3185(6) 0.4945(5) 0.0435(19) Uani 1 1 d . . .
H2 H 0.4192 0.2879 0.4948 0.052 Uiso 1 1 calc R . .
C3 C 0.4905(4) 0.3608(6) 0.5634(5) 0.051(2) Uani 1 1 d . . .
H3 H 0.4972 0.3626 0.6209 0.061 Uiso 1 1 calc R . .
C4 C 0.5227(3) 0.3960(5) 0.5382(5) 0.047(2) Uani 1 1 d . . .
H4 H 0.5557 0.4275 0.5744 0.057 Uiso 1 1 calc R . .
C5 C 0.4998(3) 0.3789(4) 0.4506(4) 0.0339(15) Uani 1 1 d . . .
H5 H 0.5139 0.3967 0.4157 0.041 Uiso 1 1 calc R . .
C6 C 0.5203(3) 0.1391(5) 0.4632(5) 0.0356(16) Uani 1 1 d . . .
H6 H 0.5013 0.1235 0.4032 0.043 Uiso 1 1 calc R . .
C7 C 0.5678(3) 0.1882(5) 0.5066(4) 0.0303(14) Uani 1 1 d . . .
C8 C 0.5810(3) 0.1964(5) 0.5926(5) 0.0386(17) Uani 1 1 d . . .
H8 H 0.6118 0.2266 0.6382 0.046 Uiso 1 1 calc R . .
C9 C 0.5428(3) 0.1539(6) 0.5995(5) 0.048(2) Uani 1 1 d . . .
H9 H 0.5416 0.1501 0.6510 0.058 Uiso 1 1 calc R . .
C10 C 0.5052(3) 0.1180(5) 0.5204(6) 0.047(2) Uani 1 1 d . . .
H10 H 0.4736 0.0854 0.5077 0.057 Uiso 1 1 calc R . .
C1V C 0.3666(3) 0.3706(5) 0.2609(4) 0.0306(14) Uani 1 1 d . . .
C2V C 0.3161(3) 0.3480(6) 0.2099(6) 0.051(2) Uani 1 1 d . . .
H2V H 0.3054 0.2874 0.2088 0.061 Uiso 1 1 calc R . .
C3V C 0.2802(3) 0.4147(7) 0.1594(6) 0.060(2) Uani 1 1 d . . .
H3V H 0.2456 0.3989 0.1245 0.072 Uiso 1 1 calc R . .
C4V C 0.2960(4) 0.5024(7) 0.1615(6) 0.055(2) Uani 1 1 d . . .
H4V H 0.2725 0.5466 0.1257 0.066 Uiso 1 1 calc R . .
C5V C 0.3449(4) 0.5266(6) 0.2145(7) 0.061(2) Uani 1 1 d . . .
H5V H 0.3547 0.5883 0.2182 0.073 Uiso 1 1 calc R . .
C6V C 0.3809(3) 0.4615(6) 0.2636(6) 0.047(2) Uani 1 1 d . . .
H6V H 0.4151 0.4788 0.2989 0.057 Uiso 1 1 calc R . .
C1W C 0.3827(3) 0.1847(5) 0.3231(4) 0.0332(15) Uani 1 1 d . . .
C2W C 0.3903(3) 0.1044(5) 0.2914(5) 0.0416(18) Uani 1 1 d . . .
H2W H 0.4115 0.1040 0.2690 0.050 Uiso 1 1 calc R . .
C3W C 0.3661(4) 0.0245(6) 0.2932(6) 0.061(3) Uani 1 1 d . . .
H3W H 0.3705 -0.0301 0.2712 0.073 Uiso 1 1 calc R . .
C4W C 0.3363(4) 0.0249(8) 0.3265(7) 0.071(3) Uani 1 1 d . . .
H4W H 0.3207 -0.0298 0.3282 0.085 Uiso 1 1 calc R . .
C5W C 0.3283(4) 0.1035(8) 0.3576(7) 0.068(3) Uani 1 1 d . . .
H5W H 0.3076 0.1026 0.3808 0.081 Uiso 1 1 calc R . .
C6W C 0.3508(3) 0.1840(7) 0.3550(6) 0.050(2) Uani 1 1 d . . .
H6W H 0.3445 0.2386 0.3747 0.060 Uiso 1 1 calc R . .
C1Y C 0.3588(3) 0.1580(5) 0.0458(4) 0.0363(16) Uani 1 1 d . . .
C2Y C 0.3625(3) 0.0662(6) 0.0358(6) 0.053(2) Uani 1 1 d . . .
H2Y H 0.3867 0.0438 0.0239 0.063 Uiso 1 1 calc R . .
C3Y C 0.3296(4) 0.0058(7) 0.0435(7) 0.067(3) Uani 1 1 d . . .
H3Y H 0.3322 -0.0575 0.0372 0.081 Uiso 1 1 calc R . .
C4Y C 0.2944(4) 0.0367(8) 0.0598(6) 0.066(3) Uani 1 1 d . . .
H4Y H 0.2726 -0.0048 0.0647 0.079 Uiso 1 1 calc R . .
C5Y C 0.2903(4) 0.1305(9) 0.0693(7) 0.074(3) Uani 1 1 d . . .
H5Y H 0.2656 0.1526 0.0804 0.089 Uiso 1 1 calc R . .
C6Y C 0.3225(4) 0.1904(7) 0.0623(7) 0.061(2) Uani 1 1 d . . .
H6Y H 0.3198 0.2537 0.0688 0.073 Uiso 1 1 calc R . .
C1Z C 0.3661(3) 0.3343(5) -0.0153(5) 0.0372(16) Uani 1 1 d . . .
C2Z C 0.3269(3) 0.3222(7) -0.0976(5) 0.049(2) Uani 1 1 d . . .
H2Z H 0.3191 0.2631 -0.1209 0.059 Uiso 1 1 calc R . .
C3Z C 0.2996(4) 0.3970(9) -0.1452(7) 0.070(3) Uani 1 1 d . . .
H3Z H 0.2730 0.3890 -0.2008 0.084 Uiso 1 1 calc R . .
C4Z C 0.3117(5) 0.4832(10) -0.1104(9) 0.083(4) Uani 1 1 d . . .
H4Z H 0.2941 0.5342 -0.1435 0.099 Uiso 1 1 calc R . .
C5Z C 0.3485(5) 0.4962(7) -0.0289(10) 0.081(4) Uani 1 1 d . . .
H5Z H 0.3550 0.5554 -0.0057 0.097 Uiso 1 1 calc R . .
C6Z C 0.3769(3) 0.4212(6) 0.0202(7) 0.057(2) Uani 1 1 d . . .
H6Z H 0.4028 0.4297 0.0761 0.069 Uiso 1 1 calc R . .
I2 I 0.28252(3) 0.79014(5) 0.17351(5) 0.0704(3) Uani 1 1 d . . .
I3 I 0.2500 0.7500 0.0000 0.0613(3) Uani 1 2 d S . .
O1S O 0.4650(6) 0.1335(12) 0.7178(10) 0.099(6) Uani 0.50 1 d PD A -2
C1S C 0.4266(12) 0.2880(16) 0.6863(18) 0.128(8) Uani 0.50 1 d PD A -2
H1SA H 0.4579 0.3141 0.6939 0.193 Uiso 0.50 1 calc PR A -2
H1SB H 0.4273 0.2910 0.7384 0.193 Uiso 0.50 1 calc PR A -2
H1SC H 0.3976 0.3224 0.6440 0.193 Uiso 0.50 1 calc PR A -2
C2S C 0.4222(8) 0.1887(16) 0.6592(12) 0.128(8) Uani 0.50 1 d PD A -2
H2SA H 0.3908 0.1626 0.6524 0.154 Uiso 0.50 1 calc PR A -2
H2SB H 0.4195 0.1865 0.6049 0.154 Uiso 0.50 1 calc PR A -2
C3S C 0.4806(10) 0.0444(15) 0.7051(13) 0.128(8) Uani 0.50 1 d PD A -2
H3SA H 0.4826 0.0461 0.6548 0.154 Uiso 0.50 1 calc PR A -2
H3SB H 0.4547 -0.0011 0.6963 0.154 Uiso 0.50 1 calc PR A -2
C4S C 0.5320(10) 0.015(3) 0.7786(18) 0.128(8) Uani 0.50 1 d PD A -2
H4SA H 0.5429 -0.0411 0.7646 0.193 Uiso 0.50 1 calc PR A -2
H4SB H 0.5289 0.0042 0.8267 0.193 Uiso 0.50 1 calc PR A -2
H4SC H 0.5570 0.0627 0.7913 0.193 Uiso 0.50 1 calc PR A -2
Cl1 Cl 0.5000 -0.0631(5) 0.7500 0.1063(19) Uani 1 2 d S B 1
O1W O 0.4102(9) 0.1627(16) 0.5807(13) 0.118(8) Uani 0.50 1 d P C 1
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
Cl Cl 0.1484 0.1585 '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
O2 Fe1 O2 159.3(3) 2_655 .
O2 Fe1 O1 85.95(19) 2_655 2_655
O2 Fe1 O1 90.48(19) . 2_655
O2 Fe1 O1 90.48(19) 2_655 .
O2 Fe1 O1 85.95(19) . .
O1 Fe1 O1 160.0(3) 2_655 .
O2 Fe1 I1 100.33(16) 2_655 .
O2 Fe1 I1 100.33(16) . .
O1 Fe1 I1 99.99(14) 2_655 .
O1 Fe1 I1 99.99(14) . .
C1 Fe2 C8 166.8(3) . .
C1 Fe2 C2 41.6(3) . .
C8 Fe2 C2 150.0(3) . .
C1 Fe2 C7 127.8(3) . .
C8 Fe2 C7 41.9(3) . .
C2 Fe2 C7 166.9(3) . .
C1 Fe2 C9 152.4(3) . .
C8 Fe2 C9 39.9(3) . .
C2 Fe2 C9 117.8(3) . .
C7 Fe2 C9 68.7(3) . .
C1 Fe2 C6 108.2(3) . .
C8 Fe2 C6 69.2(3) . .
C2 Fe2 C6 128.3(3) . .
C7 Fe2 C6 41.2(3) . .
C9 Fe2 C6 68.2(3) . .
C1 Fe2 C5 40.9(3) . .
C8 Fe2 C5 128.1(3) . .
C2 Fe2 C5 68.9(3) . .
C7 Fe2 C5 107.8(3) . .
C9 Fe2 C5 165.3(3) . .
C6 Fe2 C5 119.2(3) . .
C1 Fe2 C4 68.8(3) . .
C8 Fe2 C4 107.2(3) . .
C2 Fe2 C4 68.2(4) . .
C7 Fe2 C4 118.2(3) . .
C9 Fe2 C4 127.1(4) . .
C6 Fe2 C4 153.1(3) . .
C5 Fe2 C4 40.9(3) . .
C1 Fe2 C3 68.6(3) . .
C8 Fe2 C3 117.0(3) . .
C2 Fe2 C3 40.5(4) . .
C7 Fe2 C3 151.3(3) . .
C9 Fe2 C3 108.0(3) . .
C6 Fe2 C3 166.2(4) . .
C5 Fe2 C3 67.8(3) . .
C4 Fe2 C3 39.7(4) . .
C1 Fe2 C10 118.7(3) . .
C8 Fe2 C10 68.3(3) . .
C2 Fe2 C10 108.2(4) . .
C7 Fe2 C10 68.6(3) . .
C9 Fe2 C10 40.6(4) . .
C6 Fe2 C10 40.2(3) . .
C5 Fe2 C10 152.8(3) . .
C4 Fe2 C10 165.2(4) . .
C3 Fe2 C10 128.5(4) . .
O1 P1 C1 110.6(3) . .
O1 P1 C1V 111.9(3) . .
C1 P1 C1V 107.5(3) . .
O1 P1 C1W 110.9(3) . .
C1 P1 C1W 108.9(3) . .
C1V P1 C1W 107.0(3) . .
O2 P2 C7 111.3(3) . 2_655
O2 P2 C1Z 111.7(3) . .
C7 P2 C1Z 107.5(3) 2_655 .
O2 P2 C1Y 111.1(3) . .
C7 P2 C1Y 109.1(3) 2_655 .
C1Z P2 C1Y 105.8(3) . .
P1 O1 Fe1 157.2(3) . .
P2 O2 Fe1 173.7(4) . .
C5 C1 C2 107.6(7) . .
C5 C1 P1 122.6(5) . .
C2 C1 P1 129.6(6) . .
C5 C1 Fe2 70.6(4) . .
C2 C1 Fe2 69.4(4) . .
P1 C1 Fe2 122.0(3) . .
C3 C2 C1 107.5(8) . .
C3 C2 Fe2 70.8(4) . .
C1 C2 Fe2 69.1(4) . .
C4 C3 C2 109.2(7) . .
C4 C3 Fe2 70.0(4) . .
C2 C3 Fe2 68.7(4) . .
C3 C4 C5 108.3(8) . .
C3 C4 Fe2 70.3(5) . .
C5 C4 Fe2 69.5(4) . .
C1 C5 C4 107.4(7) . .
C1 C5 Fe2 68.5(4) . .
C4 C5 Fe2 69.6(4) . .
C10 C6 C7 108.3(7) . .
C10 C6 Fe2 70.4(4) . .
C7 C6 Fe2 68.8(4) . .
C6 C7 C8 106.6(6) . .
C6 C7 P2 122.4(5) . 2_655
C8 C7 P2 130.5(6) . 2_655
C6 C7 Fe2 70.0(4) . .
C8 C7 Fe2 69.0(4) . .
P2 C7 Fe2 120.0(3) 2_655 .
C9 C8 C7 107.9(7) . .
C9 C8 Fe2 70.4(5) . .
C7 C8 Fe2 69.1(4) . .
C8 C9 C10 109.3(7) . .
C8 C9 Fe2 69.7(4) . .
C10 C9 Fe2 70.4(4) . .
C6 C10 C9 107.8(7) . .
C6 C10 Fe2 69.5(4) . .
C9 C10 Fe2 68.9(5) . .
C2V C1V C6V 118.3(7) . .
C2V C1V P1 122.5(6) . .
C6V C1V P1 119.1(5) . .
C1V C2V C3V 120.7(8) . .
C4V C3V C2V 119.2(8) . .
C5V C4V C3V 120.7(8) . .
C4V C5V C6V 120.7(9) . .
C5V C6V C1V 120.3(8) . .
C2W C1W C6W 119.6(7) . .
C2W C1W P1 117.8(6) . .
C6W C1W P1 122.7(6) . .
C1W C2W C3W 118.9(8) . .
C4W C3W C2W 120.5(10) . .
C3W C4W C5W 121.1(9) . .
C4W C5W C6W 119.8(9) . .
C5W C6W C1W 120.0(10) . .
C2Y C1Y C6Y 119.9(8) . .
C2Y C1Y P2 121.4(6) . .
C6Y C1Y P2 118.6(7) . .
C1Y C2Y C3Y 119.2(9) . .
C4Y C3Y C2Y 121.2(10) . .
C3Y C4Y C5Y 119.7(9) . .
C6Y C5Y C4Y 119.6(11) . .
C5Y C6Y C1Y 120.3(10) . .
C6Z C1Z C2Z 120.1(8) . .
C6Z C1Z P2 119.4(6) . .
C2Z C1Z P2 120.5(7) . .
C3Z C2Z C1Z 120.1(10) . .
C4Z C3Z C2Z 119.3(10) . .
C5Z C4Z C3Z 121.5(10) . .
C4Z C5Z C6Z 119.9(11) . .
C1Z C6Z C5Z 118.9(10) . .
I2 I3 I2 180.0 . 7_565
C2S O1S C3S 128.6(7) . .
O1S C2S C1S 112.9(13) . .
O1S C3S C4S 112.3(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 O2 2.017(5) 2_655
Fe1 O2 2.017(5) .
Fe1 O1 2.053(5) 2_655
Fe1 O1 2.053(5) .
Fe1 I1 2.777(2) .
Fe2 C1 2.027(7) .
Fe2 C8 2.031(7) .
Fe2 C2 2.032(7) .
Fe2 C7 2.033(7) .
Fe2 C9 2.041(8) .
Fe2 C6 2.048(7) .
Fe2 C5 2.056(7) .
Fe2 C4 2.056(8) .
Fe2 C3 2.060(8) .
Fe2 C10 2.061(8) .
P1 O1 1.497(5) .
P1 C1 1.782(7) .
P1 C1V 1.798(7) .
P1 C1W 1.802(7) .
P2 O2 1.490(5) .
P2 C7 1.782(7) 2_655
P2 C1Z 1.796(7) .
P2 C1Y 1.804(7) .
C1 C5 1.425(11) .
C1 C2 1.440(10) .
C2 C3 1.416(13) .
C3 C4 1.396(14) .
C4 C5 1.437(11) .
C6 C10 1.411(12) .
C6 C7 1.436(10) .
C7 C8 1.454(10) .
C7 P2 1.782(7) 2_655
C8 C9 1.390(12) .
C9 C10 1.425(13) .
C1V C2V 1.373(11) .
C1V C6V 1.389(11) .
C2V C3V 1.404(13) .
C3V C4V 1.362(15) .
C4V C5V 1.346(14) .
C5V C6V 1.382(12) .
C1W C2W 1.387(11) .
C1W C6W 1.389(11) .
C2W C3W 1.394(12) .
C3W C4W 1.349(16) .
C4W C5W 1.365(17) .
C5W C6W 1.375(14) .
C1Y C2Y 1.365(12) .
C1Y C6Y 1.387(13) .
C2Y C3Y 1.402(13) .
C3Y C4Y 1.343(16) .
C4Y C5Y 1.395(17) .
C5Y C6Y 1.375(14) .
C1Z C6Z 1.390(12) .
C1Z C2Z 1.392(11) .
C2Z C3Z 1.384(13) .
C3Z C4Z 1.377(19) .
C4Z C5Z 1.363(19) .
C5Z C6Z 1.404(14) .
I2 I3 2.9316(8) .
I3 I2 2.9316(8) 7_565
O1S C2S 1.444(5) .
O1S C3S 1.447(5) .
C1S C2S 1.518(5) .
C3S C4S 1.521(5) .
