#------------------------------------------------------------------------------
#$Date: 2020-05-08 06:10:28 +0300 (Fri, 08 May 2020) $
#$Revision: 251896 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/08/93/4089318.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_4089318
loop_
_publ_author_name
'Nishihara, Yasushi'
'Takemura, Miwa'
'Osakada, Kohtaro'
_publ_section_title
;
 Structure and Properties of Halogeno(hydrido)(triorganosilyl)rhodium(III)
 Complexes, RhX(H)(SiR1nR23-n)(PPh3)2(X = Cl, I; R1= OSiMe3, OEt, R2= Me).
 Influence of the Alkoxy Groups and Halo Ligand on Stability and
 Reactivity of the Complexes
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              825
_journal_paper_doi               10.1021/om010862o
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C41 H82 I O P2 Rh Si2'
_chemical_formula_weight         939.02
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.37(2)
_cell_angle_beta                 101.63(2)
_cell_angle_gamma                115.85(2)
_cell_formula_units_Z            4
_cell_length_a                   17.838(5)
_cell_length_b                   18.828(4)
_cell_length_c                   15.023(3)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      10.8
_cell_measurement_theta_min      9.4
_cell_volume                     4111(2)
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.03508
_diffrn_orient_matrix_UB_12      0.02918
_diffrn_orient_matrix_UB_13      0.07217
_diffrn_orient_matrix_UB_21      -0.03499
_diffrn_orient_matrix_UB_22      0.02908
_diffrn_orient_matrix_UB_23      0.00814
_diffrn_orient_matrix_UB_31      -0.04457
_diffrn_orient_matrix_UB_32      -0.04876
_diffrn_orient_matrix_UB_33      0.01136
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.02747
_diffrn_reflns_av_sigmaI/netI    0.103
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11271
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.334
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.896
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1968.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.35
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.353
_refine_ls_goodness_of_fit_ref   1.350
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     873
_refine_ls_number_reflns         6177
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0360
_refine_ls_shift/su_max          0.0100
_refine_ls_shift/su_mean         0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00002|Fo|²]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0260
_refine_ls_wR_factor_ref         0.0260
_reflns_number_gt                6177
_reflns_number_total             10877
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            om010862o.cif
_cod_data_source_block           form1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 

 Corrected the values of the '_diffrn_radiation_type',
 '_exptl_absorpt_correction_type', '_reflns_threshold_expression'
 and '_refine_ls_weighting_details' data items by replacing a
 sequence of malformed symbols with the backslash symbol ('\')
 after consulting the original publication.

 Antanas Vaitkus,
 2019-12-11

2020-05-08
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C82 H164 I2 O2 P4 Rh2 Si4'
_cod_original_formula_weight         1878.05
_cod_original_formula_units_Z            2
_cod_original_cell_volume        4112(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_database_code               4089318
loop_
_symmetry_equiv_pos_as_xyz
'   +x,   +y,   +z'
'   -x,   -y,   -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_occupancy
_atom_site_adp_type
_atom_site_calc_flag
I(1) 0.07729(3) 0.32294(3) 0.33036(4) 0.0621(2) 1.000 Uani d
I(2) -0.42069(3) -0.14820(3) 0.33946(4) 0.0611(2) 1.000 Uani d
Rh(1) 0.20181(3) 0.46875(3) 0.32279(4) 0.0381(2) 1.000 Uani d
Rh(2) -0.28184(3) -0.01244(3) 0.33085(4) 0.0366(2) 1.000 Uani d
P(1) 0.2814(1) 0.5335(1) 0.4906(1) 0.0426(6) 1.000 Uani d
P(2) 0.1211(1) 0.4627(1) 0.1782(1) 0.0396(6) 1.000 Uani d
P(3) -0.2047(1) 0.0409(1) 0.4971(1) 0.0390(6) 1.000 Uani d
P(4) -0.3622(1) -0.0155(1) 0.1883(1) 0.0373(6) 1.000 Uani d
Si(1) 0.2968(1) 0.4361(1) 0.2647(2) 0.0547(8) 1.000 Uani d
Si(2) 0.3465(2) 0.4466(2) 0.0806(2) 0.100(1) 1.000 Uani d
Si(3) -0.1984(1) -0.0575(1) 0.2645(2) 0.0476(7) 1.000 Uani d
Si(4) -0.1444(2) -0.0426(2) 0.0830(2) 0.078(1) 1.000 Uani d
O(1) 0.2936(3) 0.4436(3) 0.1577(3) 0.066(2) 1.000 Uani d
O(2) -0.1917(3) -0.0389(3) 0.1645(3) 0.058(2) 1.000 Uani d
C(1) 0.2562(5) 0.3209(4) 0.2431(5) 0.075(3) 1.000 Uani d
C(2) 0.4159(5) 0.4988(5) 0.3469(6) 0.086(3) 1.000 Uani d
C(3) 0.2615(8) 0.3930(7) -0.0457(7) 0.162(6) 1.000 Uani d
C(4) 0.4091(7) 0.3898(6) 0.0925(7) 0.138(5) 1.000 Uani d
C(5) 0.4263(7) 0.5571(7) 0.102(1) 0.190(7) 1.000 Uani d
C(6) 0.2289(4) 0.5912(4) 0.5371(5) 0.040(2) 1.000 Uani d
C(7) 0.2751(4) 0.6709(4) 0.6123(5) 0.055(3) 1.000 Uani d
C(8) 0.2333(5) 0.7139(4) 0.6426(5) 0.067(3) 1.000 Uani d
C(9) 0.1444(5) 0.6796(5) 0.5970(6) 0.064(3) 1.000 Uani d
C(10) 0.0962(4) 0.6009(5) 0.5209(5) 0.065(3) 1.000 Uani d
C(11) 0.1374(4) 0.5569(4) 0.4910(4) 0.051(2) 1.000 Uani d
C(12) 0.3973(4) 0.6208(4) 0.5348(5) 0.045(2) 1.000 Uani d
C(13) 0.4192(5) 0.6776(5) 0.4889(5) 0.065(3) 1.000 Uani d
C(14) 0.5063(6) 0.7446(5) 0.5199(6) 0.075(3) 1.000 Uani d
C(15) 0.5692(5) 0.7547(5) 0.5956(8) 0.094(4) 1.000 Uani d
C(16) 0.5490(5) 0.7000(6) 0.6443(8) 0.114(4) 1.000 Uani d
C(17) 0.4629(5) 0.6322(5) 0.6127(6) 0.077(3) 1.000 Uani d
C(18) 0.2888(4) 0.4767(4) 0.5710(5) 0.046(2) 1.000 Uani d
C(19) 0.3075(5) 0.4123(5) 0.5428(6) 0.069(3) 1.000 Uani d
C(20) 0.3280(5) 0.3768(5) 0.6081(7) 0.075(3) 1.000 Uani d
C(21) 0.3285(6) 0.4045(6) 0.7005(8) 0.088(4) 1.000 Uani d
C(22) 0.3078(6) 0.4669(6) 0.7300(6) 0.089(4) 1.000 Uani d
C(23) 0.2875(4) 0.5029(5) 0.6651(6) 0.065(3) 1.000 Uani d
C(24) 0.1810(4) 0.5359(4) 0.1226(5) 0.039(2) 1.000 Uani d
C(25) 0.1549(4) 0.5150(4) 0.0222(5) 0.055(3) 1.000 Uani d
C(26) 0.2005(5) 0.5723(6) -0.0161(5) 0.072(3) 1.000 Uani d
C(27) 0.2723(5) 0.6509(6) 0.0439(7) 0.075(4) 1.000 Uani d
C(28) 0.3005(5) 0.6725(5) 0.1438(7) 0.073(3) 1.000 Uani d
C(29) 0.2551(5) 0.6147(4) 0.1825(5) 0.060(3) 1.000 Uani d
C(30) 0.0512(4) 0.5028(4) 0.2171(4) 0.038(2) 1.000 Uani d
C(31) -0.0181(4) 0.4510(4) 0.2430(5) 0.048(2) 1.000 Uani d
C(32) -0.0711(4) 0.4784(5) 0.2750(5) 0.057(3) 1.000 Uani d
C(33) -0.0563(5) 0.5579(5) 0.2822(6) 0.068(3) 1.000 Uani d
C(34) 0.0113(5) 0.6107(4) 0.2595(6) 0.070(3) 1.000 Uani d
C(35) 0.0638(4) 0.5820(4) 0.2254(5) 0.058(3) 1.000 Uani d
C(36) 0.0380(4) 0.3633(4) 0.0727(5) 0.042(2) 1.000 Uani d
C(37) 0.0526(5) 0.2971(5) 0.0497(6) 0.086(3) 1.000 Uani d
C(38) -0.0121(8) 0.2222(6) -0.0332(8) 0.118(4) 1.000 Uani d
C(39) -0.0877(7) 0.2148(6) -0.0881(7) 0.102(4) 1.000 Uani d
C(40) -0.0994(5) 0.2811(6) -0.0665(6) 0.075(3) 1.000 Uani d
C(41) -0.0381(5) 0.3550(4) 0.0144(5) 0.059(3) 1.000 Uani d
C(42) -0.2576(5) -0.1764(4) 0.2260(5) 0.074(3) 1.000 Uani d
C(43) -0.0810(5) -0.0113(5) 0.3469(5) 0.070(3) 1.000 Uani d
C(44) -0.197(1) -0.034(1) -0.0210(8) 0.32(1) 1.000 Uani d
C(45) -0.143(2) -0.137(1) 0.048(1) 0.45(2) 1.000 Uani d
C(46) -0.0328(7) 0.044(1) 0.1356(9) 0.347(9) 1.000 Uani d
C(47) -0.2597(4) 0.0968(4) 0.5435(4) 0.040(2) 1.000 Uani d
C(48) -0.2259(4) 0.1814(4) 0.5577(5) 0.054(3) 1.000 Uani d
C(49) -0.2696(5) 0.2229(4) 0.5842(6) 0.067(3) 1.000 Uani d
C(50) -0.3482(5) 0.1798(5) 0.5993(5) 0.060(3) 1.000 Uani d
C(51) -0.3840(4) 0.0948(5) 0.5853(5) 0.057(3) 1.000 Uani d
C(52) -0.3401(4) 0.0537(4) 0.5558(5) 0.048(2) 1.000 Uani d
C(53) -0.0866(4) 0.1263(4) 0.5532(5) 0.041(2) 1.000 Uani d
C(54) -0.0461(5) 0.1767(5) 0.5042(5) 0.061(3) 1.000 Uani d
C(55) 0.0411(6) 0.2418(5) 0.5466(7) 0.077(3) 1.000 Uani d
C(56) 0.0899(5) 0.2576(5) 0.6394(7) 0.073(3) 1.000 Uani d
C(57) 0.0516(5) 0.2101(5) 0.6903(6) 0.081(3) 1.000 Uani d
C(58) -0.0356(4) 0.1447(4) 0.6457(6) 0.064(3) 1.000 Uani d
C(59) -0.2073(4) -0.0271(4) 0.5655(5) 0.044(2) 1.000 Uani d
C(60) -0.1938(4) -0.0927(5) 0.5281(5) 0.057(3) 1.000 Uani d
C(61) -0.1822(5) -0.1395(5) 0.5825(7) 0.081(3) 1.000 Uani d
C(62) -0.1850(5) -0.1206(6) 0.6744(8) 0.085(4) 1.000 Uani d
C(63) -0.2007(5) -0.0563(6) 0.7136(6) 0.081(3) 1.000 Uani d
C(64) -0.2110(4) -0.0089(4) 0.6601(6) 0.058(3) 1.000 Uani d
C(65) -0.3100(4) 0.0770(4) 0.1548(4) 0.036(2) 1.000 Uani d
C(66) -0.3597(4) 0.1082(4) 0.1127(4) 0.048(2) 1.000 Uani d
C(67) -0.3203(4) 0.1796(4) 0.0907(5) 0.055(3) 1.000 Uani d
C(68) -0.2310(5) 0.2194(4) 0.1062(5) 0.059(3) 1.000 Uani d
C(69) -0.1806(4) 0.1900(4) 0.1473(5) 0.057(3) 1.000 Uani d
C(70) -0.2186(4) 0.1203(4) 0.1727(5) 0.047(2) 1.000 Uani d
C(71) -0.4515(4) -0.0034(4) 0.2162(5) 0.039(2) 1.000 Uani d
C(72) -0.4281(4) 0.0637(4) 0.3012(5) 0.052(3) 1.000 Uani d
C(73) -0.4919(6) 0.0796(5) 0.3235(5) 0.070(3) 1.000 Uani d
C(74) -0.5790(6) 0.0289(6) 0.2637(7) 0.077(4) 1.000 Uani d
C(75) -0.6034(5) -0.0392(6) 0.1812(6) 0.078(3) 1.000 Uani d
C(76) -0.5390(5) -0.0545(4) 0.1587(5) 0.057(3) 1.000 Uani d
C(77) -0.4191(4) -0.1065(4) 0.0703(5) 0.038(2) 1.000 Uani d
C(78) -0.4618(4) -0.1888(4) 0.0685(5) 0.052(2) 1.000 Uani d
C(79) -0.5061(5) -0.2579(4) -0.0187(6) 0.058(3) 1.000 Uani d
C(80) -0.5067(5) -0.2481(5) -0.1060(5) 0.063(3) 1.000 Uani d
C(81) -0.4641(5) -0.1675(5) -0.1054(5) 0.066(3) 1.000 Uani d
C(82) -0.4197(4) -0.0972(4) -0.0188(5) 0.050(2) 1.000 Uani d
H(1) 0.273(3) 0.555(3) 0.321(4) 0.06(1) 1.000 Uiso d
H(2) 0.1992 0.2862 0.1925 0.090 1.000 Uiso c
H(3) 0.2968 0.3063 0.2239 0.090 1.000 Uiso c
H(4) 0.2522 0.3120 0.3019 0.090 1.000 Uiso c
H(5) 0.4469 0.4730 0.3226 0.103 1.000 Uiso c
H(6) 0.4198 0.5000 0.4113 0.103 1.000 Uiso c
H(7) 0.4419 0.5555 0.3488 0.103 1.000 Uiso c
H(8) 0.2758 0.3580 -0.0877 0.194 1.000 Uiso c
H(9) 0.2610 0.4350 -0.0698 0.194 1.000 Uiso c
H(10) 0.2044 0.3588 -0.0438 0.194 1.000 Uiso c
H(11) 0.3775 0.3355 0.0401 0.166 1.000 Uiso c
H(12) 0.4153 0.3825 0.1534 0.166 1.000 Uiso c
H(13) 0.4664 0.4225 0.0902 0.166 1.000 Uiso c
H(14) 0.4724 0.5588 0.0789 0.228 1.000 Uiso c
H(15) 0.3966 0.5794 0.0689 0.228 1.000 Uiso c
H(16) 0.4514 0.5906 0.1709 0.228 1.000 Uiso c
H(17) 0.3375 0.6967 0.6441 0.066 1.000 Uiso c
H(18) 0.2668 0.7679 0.6956 0.080 1.000 Uiso c
H(19) 0.1159 0.7096 0.6175 0.076 1.000 Uiso c
H(20) 0.0341 0.5767 0.4888 0.079 1.000 Uiso c
H(21) 0.1032 0.5026 0.4384 0.062 1.000 Uiso c
H(22) 0.3744 0.6710 0.4355 0.078 1.000 Uiso c
H(23) 0.5210 0.7833 0.4872 0.091 1.000 Uiso c
H(24) 0.6287 0.8003 0.6159 0.113 1.000 Uiso c
H(25) 0.5938 0.7087 0.6994 0.137 1.000 Uiso c
H(26) 0.4490 0.5932 0.6450 0.093 1.000 Uiso c
H(27) 0.3064 0.3920 0.4777 0.082 1.000 Uiso c
H(28) 0.3416 0.3333 0.5879 0.090 1.000 Uiso c
H(29) 0.3433 0.3808 0.7453 0.106 1.000 Uiso c
H(30) 0.3073 0.4853 0.7947 0.107 1.000 Uiso c
H(31) 0.2728 0.5456 0.6855 0.078 1.000 Uiso c
H(32) 0.1050 0.4606 -0.0206 0.065 1.000 Uiso c
H(33) 0.1818 0.5570 -0.0852 0.087 1.000 Uiso c
H(34) 0.3025 0.6905 0.0167 0.090 1.000 Uiso c
H(35) 0.3509 0.7268 0.1861 0.088 1.000 Uiso c
H(36) 0.2753 0.6295 0.2515 0.072 1.000 Uiso c
H(37) -0.0285 0.3960 0.2383 0.058 1.000 Uiso c
H(38) -0.1179 0.4426 0.2922 0.068 1.000 Uiso c
H(39) -0.0939 0.5763 0.3034 0.081 1.000 Uiso c
H(40) 0.0225 0.6664 0.2667 0.084 1.000 Uiso c
H(41) 0.1097 0.6181 0.2073 0.069 1.000 Uiso c
H(42) 0.1047 0.3010 0.0880 0.103 1.000 Uiso c
H(43) -0.0024 0.1756 -0.0510 0.142 1.000 Uiso c
H(44) -0.1316 0.1628 -0.1414 0.123 1.000 Uiso c
H(45) -0.1503 0.2777 -0.1068 0.090 1.000 Uiso c
H(46) -0.0486 0.4012 0.0303 0.071 1.000 Uiso c
H(47) -0.204(3) 0.073(3) 0.338(4) 0.07(1) 1.000 Uiso d
H(48) -0.2196 -0.1963 0.2098 0.089 1.000 Uiso c
H(49) -0.3101 -0.2019 0.1703 0.089 1.000 Uiso c
H(50) -0.2729 -0.1911 0.2785 0.089 1.000 Uiso c
H(51) -0.0802 -0.0119 0.4101 0.084 1.000 Uiso c
H(52) -0.0458 0.0458 0.3524 0.084 1.000 Uiso c
H(53) -0.0574 -0.0444 0.3199 0.084 1.000 Uiso c
H(54) -0.1903 -0.0635 -0.0767 0.380 1.000 Uiso c
H(55) -0.2591 -0.0577 -0.0310 0.380 1.000 Uiso c
H(56) -0.1718 0.0248 -0.0119 0.380 1.000 Uiso c
H(57) -0.0909 -0.1274 0.0339 0.542 1.000 Uiso c
H(58) -0.1943 -0.1788 -0.0086 0.542 1.000 Uiso c
H(59) -0.1441 -0.1575 0.1002 0.542 1.000 Uiso c
H(60) -0.0120 0.0597 0.2047 0.417 1.000 Uiso c
H(61) -0.0305 0.0917 0.1217 0.417 1.000 Uiso c
H(62) 0.0037 0.0282 0.1083 0.417 1.000 Uiso c
H(63) -0.1710 0.2118 0.5489 0.064 1.000 Uiso c
H(64) -0.2459 0.2811 0.5920 0.080 1.000 Uiso c
H(65) -0.3778 0.2088 0.6196 0.072 1.000 Uiso c
H(66) -0.4380 0.0649 0.5956 0.068 1.000 Uiso c
H(67) -0.3656 -0.0054 0.5438 0.058 1.000 Uiso c
H(68) -0.0796 0.1656 0.4395 0.073 1.000 Uiso c
H(69) 0.0674 0.2757 0.5118 0.092 1.000 Uiso c
H(70) 0.1508 0.3017 0.6686 0.088 1.000 Uiso c
H(71) 0.0848 0.2223 0.7557 0.097 1.000 Uiso c
H(72) -0.0614 0.1109 0.6807 0.076 1.000 Uiso c
H(73) -0.1922 -0.1066 0.4635 0.069 1.000 Uiso c
H(74) -0.1724 -0.1845 0.5554 0.097 1.000 Uiso c
H(75) -0.1760 -0.1519 0.7121 0.102 1.000 Uiso c
H(76) -0.2045 -0.0445 0.7772 0.097 1.000 Uiso c
H(77) -0.2206 0.0361 0.6878 0.070 1.000 Uiso c
H(78) -0.4222 0.0796 0.0988 0.057 1.000 Uiso c
H(79) -0.3550 0.2012 0.0648 0.066 1.000 Uiso c
H(80) -0.2041 0.2671 0.0886 0.071 1.000 Uiso c
H(81) -0.1186 0.2180 0.1586 0.068 1.000 Uiso c
H(82) -0.1823 0.1016 0.2025 0.057 1.000 Uiso c
H(83) -0.3677 0.0988 0.3443 0.062 1.000 Uiso c
H(84) -0.4749 0.1264 0.3812 0.084 1.000 Uiso c
H(85) -0.6225 0.0408 0.2789 0.092 1.000 Uiso c
H(86) -0.6642 -0.0758 0.1397 0.093 1.000 Uiso c
H(87) -0.5564 -0.1021 0.1016 0.069 1.000 Uiso c
H(88) -0.4604 -0.1974 0.1284 0.062 1.000 Uiso c
H(89) -0.5370 -0.3136 -0.0186 0.070 1.000 Uiso c
H(90) -0.5362 -0.2965 -0.1660 0.075 1.000 Uiso c
H(91) -0.4652 -0.1599 -0.1657 0.079 1.000 Uiso c
H(92) -0.3890 -0.0417 -0.0197 0.060 1.000 Uiso c
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0 164 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
H 0 328 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
P 0 8 0.090 0.095
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Si 0 8 0.072 0.071
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O 0 4 0.008 0.006
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Rh 0 4 -1.287 0.919
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
I 0 4 -0.726 1.812
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
I(1) Rh(1) P(1) 95.04(6) ?
I(1) Rh(1) P(2) 99.08(6) ?
I(1) Rh(1) Si(1) 106.27(7) ?
I(1) Rh(1) H(1) 178(2) no
P(1) Rh(1) P(2) 152.82(8) ?
P(1) Rh(1) Si(1) 101.17(9) ?
P(1) Rh(1) H(1) 84(2) no
P(2) Rh(1) Si(1) 97.00(9) ?
P(2) Rh(1) H(1) 82(2) no
Si(1) Rh(1) H(1) 75(2) no
I(2) Rh(2) P(3) 92.47(6) ?
I(2) Rh(2) P(4) 95.75(6) ?
I(2) Rh(2) Si(3) 109.17(7) ?
I(2) Rh(2) H(47) 172(2) no
P(3) Rh(2) P(4) 155.99(7) ?
P(3) Rh(2) Si(3) 102.46(8) ?
P(3) Rh(2) H(47) 82(2) no
P(4) Rh(2) Si(3) 96.07(8) ?
P(4) Rh(2) H(47) 87(2) no
Si(3) Rh(2) H(47) 78(2) no
Rh(1) P(1) C(6) 103.2(3) ?
Rh(1) P(1) C(12) 118.5(3) ?
Rh(1) P(1) C(18) 124.8(3) ?
C(6) P(1) C(12) 100.8(3) ?
C(6) P(1) C(18) 105.3(4) ?
C(12) P(1) C(18) 101.2(3) ?
Rh(1) P(2) C(24) 118.0(3) ?
Rh(1) P(2) C(30) 102.3(2) ?
Rh(1) P(2) C(36) 124.3(3) ?
C(24) P(2) C(30) 103.1(3) ?
C(24) P(2) C(36) 104.2(3) ?
C(30) P(2) C(36) 101.6(3) ?
Rh(2) P(3) C(47) 99.8(2) ?
Rh(2) P(3) C(53) 121.8(3) ?
Rh(2) P(3) C(59) 122.9(3) ?
C(47) P(3) C(53) 101.8(3) ?
C(47) P(3) C(59) 106.5(4) ?
C(53) P(3) C(59) 101.2(3) ?
Rh(2) P(4) C(65) 117.3(2) ?
Rh(2) P(4) C(71) 104.4(2) ?
Rh(2) P(4) C(77) 124.2(2) ?
C(65) P(4) C(71) 100.0(3) ?
C(65) P(4) C(77) 103.6(3) ?
C(71) P(4) C(77) 104.1(3) ?
Rh(1) Si(1) O(1) 112.3(2) ?
Rh(1) Si(1) C(1) 107.1(3) ?
Rh(1) Si(1) C(2) 116.3(3) ?
O(1) Si(1) C(1) 105.9(3) ?
O(1) Si(1) C(2) 107.4(4) ?
C(1) Si(1) C(2) 107.3(4) ?
O(1) Si(2) C(3) 107.3(5) ?
O(1) Si(2) C(4) 111.5(4) ?
O(1) Si(2) C(5) 110.6(5) ?
C(3) Si(2) C(4) 109.3(5) ?
C(3) Si(2) C(5) 110.1(6) ?
C(4) Si(2) C(5) 108.0(5) ?
Rh(2) Si(3) O(2) 112.6(2) ?
Rh(2) Si(3) C(42) 107.0(3) ?
Rh(2) Si(3) C(43) 116.1(3) ?
O(2) Si(3) C(42) 106.1(3) ?
O(2) Si(3) C(43) 106.0(3) ?
C(42) Si(3) C(43) 108.4(4) ?
O(2) Si(4) C(44) 112.2(4) ?
O(2) Si(4) C(45) 110.3(5) ?
O(2) Si(4) C(46) 108.7(5) ?
C(44) Si(4) C(45) 109(1) ?
C(44) Si(4) C(46) 107.6(9) ?
C(45) Si(4) C(46) 109(1) ?
Si(1) O(1) Si(2) 142.3(4) ?
Si(3) O(2) Si(4) 144.0(3) ?
Si(1) C(1) H(2) 109.5 no
Si(1) C(1) H(3) 109.5 no
Si(1) C(1) H(4) 109.5 no
H(2) C(1) H(3) 109.5 no
H(2) C(1) H(4) 109.5 no
H(3) C(1) H(4) 109.5 no
Si(1) C(2) H(5) 109.5 no
Si(1) C(2) H(6) 109.5 no
Si(1) C(2) H(7) 109.5 no
H(5) C(2) H(6) 109.5 no
H(5) C(2) H(7) 109.5 no
H(6) C(2) H(7) 109.5 no
Si(2) C(3) H(8) 109.5 no
Si(2) C(3) H(9) 109.5 no
Si(2) C(3) H(10) 109.5 no
H(8) C(3) H(9) 109.5 no
H(8) C(3) H(10) 109.5 no
H(9) C(3) H(10) 109.5 no
Si(2) C(4) H(11) 109.5 no
Si(2) C(4) H(12) 109.5 no
Si(2) C(4) H(13) 109.5 no
H(11) C(4) H(12) 109.5 no
H(11) C(4) H(13) 109.5 no
H(12) C(4) H(13) 109.5 no
Si(2) C(5) H(14) 109.5 no
Si(2) C(5) H(15) 109.5 no
Si(2) C(5) H(16) 109.5 no
H(14) C(5) H(15) 109.5 no
H(14) C(5) H(16) 109.4 no
H(15) C(5) H(16) 109.5 no
P(1) C(6) C(7) 123.8(6) ?
P(1) C(6) C(11) 119.3(6) ?
C(7) C(6) C(11) 116.7(7) ?
C(6) C(7) C(8) 122.0(7) ?
C(6) C(7) H(17) 119.0 no
C(8) C(7) H(17) 119.0 no
C(7) C(8) C(9) 120.4(8) ?
C(7) C(8) H(18) 119.8 no
C(9) C(8) H(18) 119.8 no
C(8) C(9) C(10) 119.4(8) ?
C(8) C(9) H(19) 120.3 no
C(10) C(9) H(19) 120.3 no
C(9) C(10) C(11) 120.5(8) ?
C(9) C(10) H(20) 119.7 no
C(11) C(10) H(20) 119.7 no
C(6) C(11) C(10) 120.9(7) ?
C(6) C(11) H(21) 119.5 no
C(10) C(11) H(21) 119.5 no
P(1) C(12) C(13) 118.5(6) ?
P(1) C(12) C(17) 122.7(6) ?
C(13) C(12) C(17) 118.7(7) ?
C(12) C(13) C(14) 120.5(8) ?
C(12) C(13) H(22) 119.7 no
C(14) C(13) H(22) 119.7 no
C(13) C(14) C(15) 119.9(9) ?
C(13) C(14) H(23) 120.0 no
C(15) C(14) H(23) 120.0 no
C(14) C(15) C(16) 120.9(9) ?
C(14) C(15) H(24) 119.6 no
C(16) C(15) H(24) 119.6 no
C(15) C(16) C(17) 119(1) ?
C(15) C(16) H(25) 120.3 no
C(17) C(16) H(25) 120.3 no
C(12) C(17) C(16) 120.4(8) ?
C(12) C(17) H(26) 119.8 no
C(16) C(17) H(26) 119.8 no
P(1) C(18) C(19) 119.3(7) ?
P(1) C(18) C(23) 121.9(7) ?
C(19) C(18) C(23) 118.2(7) ?
C(18) C(19) C(20) 121.2(9) ?
C(18) C(19) H(27) 119.4 no
C(20) C(19) H(27) 119.4 no
C(19) C(20) C(21) 120(1) ?
C(19) C(20) H(28) 120.1 no
C(21) C(20) H(28) 120.1 no
C(20) C(21) C(22) 120(1) ?
C(20) C(21) H(29) 119.8 no
C(22) C(21) H(29) 119.8 no
C(21) C(22) C(23) 120(1) ?
C(21) C(22) H(30) 120.0 no
C(23) C(22) H(30) 120.0 no
C(18) C(23) C(22) 120.2(9) ?
C(18) C(23) H(31) 119.9 no
C(22) C(23) H(31) 119.9 no
P(2) C(24) C(25) 122.4(6) ?
P(2) C(24) C(29) 119.4(6) ?
C(25) C(24) C(29) 118.2(7) ?
C(24) C(25) C(26) 120.5(8) ?
C(24) C(25) H(32) 119.8 no
C(26) C(25) H(32) 119.8 no
C(25) C(26) C(27) 120.9(8) ?
C(25) C(26) H(33) 119.5 no
C(27) C(26) H(33) 119.5 no
C(26) C(27) C(28) 119.6(8) ?
C(26) C(27) H(34) 120.2 no
C(28) C(27) H(34) 120.2 no
C(27) C(28) C(29) 119.6(9) ?
C(27) C(28) H(35) 120.2 no
C(29) C(28) H(35) 120.2 no
C(24) C(29) C(28) 121.2(8) ?
C(24) C(29) H(36) 119.4 no
C(28) C(29) H(36) 119.4 no
P(2) C(30) C(31) 118.4(6) ?
P(2) C(30) C(35) 124.2(6) ?
C(31) C(30) C(35) 117.3(7) ?
C(30) C(31) C(32) 121.0(7) ?
C(30) C(31) H(37) 119.5 no
C(32) C(31) H(37) 119.5 no
C(31) C(32) C(33) 119.8(8) ?
C(31) C(32) H(38) 120.1 no
C(33) C(32) H(38) 120.1 no
C(32) C(33) C(34) 120.9(8) ?
C(32) C(33) H(39) 119.5 no
C(34) C(33) H(39) 119.5 no
C(33) C(34) C(35) 118.9(8) ?
C(33) C(34) H(40) 120.5 no
C(35) C(34) H(40) 120.5 no
C(30) C(35) C(34) 121.9(7) ?
C(30) C(35) H(41) 119.0 no
C(34) C(35) H(41) 119.0 no
P(2) C(36) C(37) 119.6(7) ?
P(2) C(36) C(41) 121.4(6) ?
C(37) C(36) C(41) 119.1(8) ?
C(36) C(37) C(38) 117.9(9) ?
C(36) C(37) H(42) 121.1 no
C(38) C(37) H(42) 121.1 no
C(37) C(38) C(39) 122(1) ?
C(37) C(38) H(43) 119.0 no
C(39) C(38) H(43) 119.0 no
C(38) C(39) C(40) 119(1) ?
C(38) C(39) H(44) 120.4 no
C(40) C(39) H(44) 120.4 no
C(39) C(40) C(41) 120.4(9) ?
C(39) C(40) H(45) 119.8 no
C(41) C(40) H(45) 119.8 no
C(36) C(41) C(40) 121.4(8) ?
C(36) C(41) H(46) 119.3 no
C(40) C(41) H(46) 119.3 no
Si(3) C(42) H(48) 109.5 no
Si(3) C(42) H(49) 109.5 no
Si(3) C(42) H(50) 109.5 no
H(48) C(42) H(49) 109.5 no
H(48) C(42) H(50) 109.5 no
H(49) C(42) H(50) 109.5 no
Si(3) C(43) H(51) 109.5 no
Si(3) C(43) H(52) 109.5 no
Si(3) C(43) H(53) 109.5 no
H(51) C(43) H(52) 109.5 no
H(51) C(43) H(53) 109.5 no
H(52) C(43) H(53) 109.5 no
Si(4) C(44) H(54) 109.5 no
Si(4) C(44) H(55) 109.5 no
Si(4) C(44) H(56) 109.4 no
H(54) C(44) H(55) 109.5 no
H(54) C(44) H(56) 109.4 no
H(55) C(44) H(56) 109.5 no
Si(4) C(45) H(57) 109.4 no
Si(4) C(45) H(58) 109.6 no
Si(4) C(45) H(59) 109.4 no
H(57) C(45) H(58) 109.6 no
H(57) C(45) H(59) 109.2 no
H(58) C(45) H(59) 109.6 no
Si(4) C(46) H(60) 109.5 no
Si(4) C(46) H(61) 109.5 no
Si(4) C(46) H(62) 109.5 no
H(60) C(46) H(61) 109.5 no
H(60) C(46) H(62) 109.5 no
H(61) C(46) H(62) 109.5 no
P(3) C(47) C(48) 120.1(6) ?
P(3) C(47) C(52) 121.3(6) ?
C(48) C(47) C(52) 118.2(7) ?
C(47) C(48) C(49) 121.4(7) ?
C(47) C(48) H(63) 119.3 no
C(49) C(48) H(63) 119.3 no
C(48) C(49) C(50) 119.6(7) ?
C(48) C(49) H(64) 120.2 no
C(50) C(49) H(64) 120.2 no
C(49) C(50) C(51) 120.3(7) ?
C(49) C(50) H(65) 119.8 no
C(51) C(50) H(65) 119.8 no
C(50) C(51) C(52) 119.1(7) ?
C(50) C(51) H(66) 120.5 no
C(52) C(51) H(66) 120.5 no
C(47) C(52) C(51) 121.3(7) ?
C(47) C(52) H(67) 119.3 no
C(51) C(52) H(67) 119.3 no
P(3) C(53) C(54) 121.5(7) ?
P(3) C(53) C(58) 121.7(6) ?
C(54) C(53) C(58) 116.8(7) ?
C(53) C(54) C(55) 121.8(8) ?
C(53) C(54) H(68) 119.1 no
C(55) C(54) H(68) 119.1 no
C(54) C(55) C(56) 119.3(8) ?
C(54) C(55) H(69) 120.3 no
C(56) C(55) H(69) 120.3 no
C(55) C(56) C(57) 120.4(8) ?
C(55) C(56) H(70) 119.8 no
C(57) C(56) H(70) 119.8 no
C(56) C(57) C(58) 119.0(9) ?
C(56) C(57) H(71) 120.5 no
C(58) C(57) H(71) 120.5 no
C(53) C(58) C(57) 122.7(8) ?
C(53) C(58) H(72) 118.7 no
C(57) C(58) H(72) 118.6 no
P(3) C(59) C(60) 118.4(7) ?
P(3) C(59) C(64) 122.9(7) ?
C(60) C(59) C(64) 118.1(7) ?
C(59) C(60) C(61) 121.5(8) ?
C(59) C(60) H(73) 119.3 no
C(61) C(60) H(73) 119.3 no
C(60) C(61) C(62) 120(1) ?
C(60) C(61) H(74) 120.1 no
C(62) C(61) H(74) 120.1 no
C(61) C(62) C(63) 120(1) ?
C(61) C(62) H(75) 119.8 no
C(63) C(62) H(75) 119.8 no
C(62) C(63) C(64) 120(1) ?
C(62) C(63) H(76) 120.0 no
C(64) C(63) H(76) 120.0 no
C(59) C(64) C(63) 120.3(9) ?
C(59) C(64) H(77) 119.9 no
C(63) C(64) H(77) 119.9 no
P(4) C(65) C(66) 121.2(5) ?
P(4) C(65) C(70) 121.4(5) ?
C(66) C(65) C(70) 117.3(6) ?
C(65) C(66) C(67) 121.5(7) ?
C(65) C(66) H(78) 119.3 no
C(67) C(66) H(78) 119.3 no
C(66) C(67) C(68) 120.0(7) ?
C(66) C(67) H(79) 120.0 no
C(68) C(67) H(79) 120.0 no
C(67) C(68) C(69) 119.6(7) ?
C(67) C(68) H(80) 120.2 no
C(69) C(68) H(80) 120.2 no
C(68) C(69) C(70) 121.0(7) ?
C(68) C(69) H(81) 119.5 no
C(70) C(69) H(81) 119.5 no
C(65) C(70) C(69) 120.4(7) ?
C(65) C(70) H(82) 119.8 no
C(69) C(70) H(82) 119.8 no
P(4) C(71) C(72) 117.5(6) ?
P(4) C(71) C(76) 124.5(6) ?
C(72) C(71) C(76) 118.1(7) ?
C(71) C(72) C(73) 120.4(8) ?
C(71) C(72) H(83) 119.8 no
C(73) C(72) H(83) 119.8 no
C(72) C(73) C(74) 120.7(9) ?
C(72) C(73) H(84) 119.7 no
C(74) C(73) H(84) 119.7 no
C(73) C(74) C(75) 119.5(9) ?
C(73) C(74) H(85) 120.3 no
C(75) C(74) H(85) 120.3 no
C(74) C(75) C(76) 119.6(9) ?
C(74) C(75) H(86) 120.2 no
C(76) C(75) H(86) 120.2 no
C(71) C(76) C(75) 121.7(8) ?
C(71) C(76) H(87) 119.1 no
C(75) C(76) H(87) 119.1 no
P(4) C(77) C(78) 119.5(6) ?
P(4) C(77) C(82) 122.8(6) ?
C(78) C(77) C(82) 117.7(7) ?
C(77) C(78) C(79) 120.6(7) ?
C(77) C(78) H(88) 119.7 no
C(79) C(78) H(88) 119.7 no
C(78) C(79) C(80) 121.2(8) ?
C(78) C(79) H(89) 119.4 no
C(80) C(79) H(89) 119.4 no
C(79) C(80) C(81) 118.8(8) ?
C(79) C(80) H(90) 120.6 no
C(81) C(80) H(90) 120.6 no
C(80) C(81) C(82) 121.0(8) ?
C(80) C(81) H(91) 119.5 no
C(82) C(81) H(91) 119.5 no
C(77) C(82) C(81) 120.6(7) ?
C(77) C(82) H(92) 119.7 no
C(81) C(82) H(92) 119.7 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
I(1) Rh(1) 2.724(1) ?
I(2) Rh(2) 2.731(1) ?
Rh(1) P(1) 2.320(2) ?
Rh(1) P(2) 2.298(2) ?
Rh(1) Si(1) 2.291(2) ?
Rh(1) H(1) 1.57(6) no
Rh(2) P(3) 2.303(2) ?
Rh(2) P(4) 2.297(2) ?
Rh(2) Si(3) 2.282(2) ?
Rh(2) H(47) 1.55(6) no
P(1) C(6) 1.821(7) ?
P(1) C(12) 1.833(7) ?
P(1) C(18) 1.823(7) ?
P(2) C(24) 1.840(7) ?
P(2) C(30) 1.834(7) ?
P(2) C(36) 1.837(7) ?
P(3) C(47) 1.835(7) ?
P(3) C(53) 1.842(7) ?
P(3) C(59) 1.821(7) ?
P(4) C(65) 1.833(7) ?
P(4) C(71) 1.817(7) ?
P(4) C(77) 1.833(7) ?
Si(1) O(1) 1.640(5) ?
Si(1) C(1) 1.876(8) ?
Si(1) C(2) 1.862(8) ?
Si(2) O(1) 1.632(5) ?
Si(2) C(3) 1.86(1) ?
Si(2) C(4) 1.864(9) ?
Si(2) C(5) 1.83(1) ?
Si(3) O(2) 1.640(5) ?
Si(3) C(42) 1.873(8) ?
Si(3) C(43) 1.873(8) ?
Si(4) O(2) 1.625(5) ?
Si(4) C(44) 1.74(1) ?
Si(4) C(45) 1.74(1) ?
Si(4) C(46) 1.77(1) ?
C(1) H(2) 0.95 no
C(1) H(3) 0.95 no
C(1) H(4) 0.95 no
C(2) H(5) 0.95 no
C(2) H(6) 0.95 no
C(2) H(7) 0.95 no
C(3) H(8) 0.95 no
C(3) H(9) 0.95 no
C(3) H(10) 0.95 no
C(4) H(11) 0.95 no
C(4) H(12) 0.95 no
C(4) H(13) 0.95 no
C(5) H(14) 0.95 no
C(5) H(15) 0.95 no
C(5) H(16) 0.95 no
C(6) C(7) 1.382(9) ?
C(6) C(11) 1.402(9) ?
C(7) C(8) 1.38(1) ?
C(7) H(17) 0.95 no
C(8) C(9) 1.36(1) ?
C(8) H(18) 0.95 no
C(9) C(10) 1.38(1) ?
C(9) H(19) 0.95 no
C(10) C(11) 1.381(9) ?
C(10) H(20) 0.95 no
C(11) H(21) 0.95 no
C(12) C(13) 1.371(9) ?
C(12) C(17) 1.37(1) ?
C(13) C(14) 1.39(1) ?
C(13) H(22) 0.95 no
C(14) C(15) 1.33(1) ?
C(14) H(23) 0.95 no
C(15) C(16) 1.37(1) ?
C(15) H(24) 0.95 no
C(16) C(17) 1.38(1) ?
C(16) H(25) 0.95 no
C(17) H(26) 0.95 no
C(18) C(19) 1.38(1) ?
C(18) C(23) 1.39(1) ?
C(19) C(20) 1.39(1) ?
C(19) H(27) 0.95 no
C(20) C(21) 1.35(1) ?
C(20) H(28) 0.95 no
C(21) C(22) 1.38(1) ?
C(21) H(29) 0.95 no
C(22) C(23) 1.39(1) ?
C(22) H(30) 0.95 no
C(23) H(31) 0.95 no
C(24) C(25) 1.381(9) ?
C(24) C(29) 1.380(9) ?
C(25) C(26) 1.37(1) ?
C(25) H(32) 0.95 no
C(26) C(27) 1.37(1) ?
C(26) H(33) 0.95 no
C(27) C(28) 1.37(1) ?
C(27) H(34) 0.95 no
C(28) C(29) 1.38(1) ?
C(28) H(35) 0.95 no
C(29) H(36) 0.95 no
C(30) C(31) 1.400(9) ?
C(30) C(35) 1.377(9) ?
C(31) C(32) 1.370(9) ?
C(31) H(37) 0.95 no
C(32) C(33) 1.37(1) ?
C(32) H(38) 0.95 no
C(33) C(34) 1.36(1) ?
C(33) H(39) 0.95 no
C(34) C(35) 1.388(9) ?
C(34) H(40) 0.95 no
C(35) H(41) 0.95 no
C(36) C(37) 1.36(1) ?
C(36) C(41) 1.380(9) ?
C(37) C(38) 1.41(1) ?
C(37) H(42) 0.95 no
C(38) C(39) 1.36(1) ?
C(38) H(43) 0.95 no
C(39) C(40) 1.33(1) ?
C(39) H(44) 0.95 no
C(40) C(41) 1.38(1) ?
C(40) H(45) 0.95 no
C(41) H(46) 0.95 no
C(42) H(48) 0.95 no
C(42) H(49) 0.95 no
C(42) H(50) 0.95 no
C(43) H(51) 0.95 no
C(43) H(52) 0.95 no
C(43) H(53) 0.95 no
C(44) H(54) 0.95 no
C(44) H(55) 0.95 no
C(44) H(56) 0.95 no
C(45) H(57) 0.95 no
C(45) H(58) 0.95 no
C(45) H(59) 0.95 no
C(46) H(60) 0.95 no
C(46) H(61) 0.95 no
C(46) H(62) 0.95 no
C(47) C(48) 1.374(9) ?
C(47) C(52) 1.385(9) ?
C(48) C(49) 1.371(9) ?
C(48) H(63) 0.95 no
C(49) C(50) 1.38(1) ?
C(49) H(64) 0.95 no
C(50) C(51) 1.38(1) ?
C(50) H(65) 0.95 no
C(51) C(52) 1.379(9) ?
C(51) H(66) 0.95 no
C(52) H(67) 0.95 no
C(53) C(54) 1.388(9) ?
C(53) C(58) 1.361(9) ?
C(54) C(55) 1.37(1) ?
C(54) H(68) 0.95 no
C(55) C(56) 1.37(1) ?
C(55) H(69) 0.95 no
C(56) C(57) 1.37(1) ?
C(56) H(70) 0.95 no
C(57) C(58) 1.37(1) ?
C(57) H(71) 0.95 no
C(58) H(72) 0.95 no
C(59) C(60) 1.367(9) ?
C(59) C(64) 1.40(1) ?
C(60) C(61) 1.39(1) ?
C(60) H(73) 0.95 no
C(61) C(62) 1.35(1) ?
C(61) H(74) 0.95 no
C(62) C(63) 1.38(1) ?
C(62) H(75) 0.95 no
C(63) C(64) 1.38(1) ?
C(63) H(76) 0.95 no
C(64) H(77) 0.95 no
C(65) C(66) 1.395(8) ?
C(65) C(70) 1.397(9) ?
C(66) C(67) 1.378(9) ?
C(66) H(78) 0.95 no
C(67) C(68) 1.37(1) ?
C(67) H(79) 0.95 no
C(68) C(69) 1.369(9) ?
C(68) H(80) 0.95 no
C(69) C(70) 1.379(9) ?
C(69) H(81) 0.95 no
C(70) H(82) 0.95 no
C(71) C(72) 1.388(9) ?
C(71) C(76) 1.357(9) ?
C(72) C(73) 1.38(1) ?
C(72) H(83) 0.95 no
C(73) C(74) 1.36(1) ?
C(73) H(84) 0.95 no
C(74) C(75) 1.37(1) ?
C(74) H(85) 0.95 no
C(75) C(76) 1.38(1) ?
C(75) H(86) 0.95 no
C(76) H(87) 0.95 no
C(77) C(78) 1.388(9) ?
C(77) C(82) 1.391(9) ?
C(78) C(79) 1.37(1) ?
C(78) H(88) 0.95 no
C(79) C(80) 1.37(1) ?
C(79) H(89) 0.95 no
C(80) C(81) 1.37(1) ?
C(80) H(90) 0.95 no
C(81) C(82) 1.374(9) ?
C(81) H(91) 0.95 no
C(82) H(92) 0.95 no
