#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:41:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179858 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015467.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_7015467
loop_
_publ_author_name
'Marciniec, Bogdan'
'Kownacki, Ireneusz'
'Franczyk, Adrian'
'Kubicki, Maciej'
_publ_section_title
;
 Silsesquioxyl rhodium(I) complexes--synthesis, structure and catalytic
 activity.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5073
_journal_page_last               5077
_journal_paper_doi               10.1039/c0dt01631d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C54 H108 O13 P Rh Si8'
_chemical_formula_sum            'C54 H108 O13 P Rh Si8'
_chemical_formula_weight         1324.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.731(12)
_cell_angle_beta                 98.469(9)
_cell_angle_gamma                104.467(10)
_cell_formula_units_Z            2
_cell_length_a                   10.9023(12)
_cell_length_b                   14.8954(18)
_cell_length_c                   21.769(3)
_cell_measurement_reflns_used    9078
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      28.1799
_cell_measurement_theta_min      2.8394
_cell_volume                     3306.6(8)
_computing_cell_refinement       'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_data_collection       'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_data_reduction        'CrysAlis Pro (Oxford Diffraction (2009))'
_computing_molecular_graphics    'Stereochemical Workstation (Siemens, 1989)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 16.1544
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '/w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_sigmaI/netI    0.1298
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24946
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    0.483
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.95761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.1
_refine_diff_density_max         2.314
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     719
_refine_ls_number_reflns         12709
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0563
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0650P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1368
_reflns_number_gt                7712
_reflns_number_total             12709
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c0dt01631d.txt
_cod_data_source_block           1
_cod_original_cell_volume        3306.6(7)
_cod_database_code               7015467
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.62013(4) 0.54436(3) 0.24466(2) 0.01190(11) Uani 1 1 d . . .
P1 P 0.56109(12) 0.51768(9) 0.33982(6) 0.0132(3) Uani 1 1 d . . .
C111 C 0.4271(5) 0.5700(4) 0.3519(2) 0.0155(11) Uani 1 1 d . . .
H111 H 0.4645 0.6397 0.3557 0.019 Uiso 1 1 calc R . .
C112 C 0.3754(5) 0.5616(4) 0.4132(2) 0.0190(12) Uani 1 1 d . . .
H11A H 0.3295 0.4945 0.4111 0.023 Uiso 1 1 calc R . .
H11B H 0.4485 0.5824 0.4501 0.023 Uiso 1 1 calc R . .
C113 C 0.2830(5) 0.6228(4) 0.4220(2) 0.0219(13) Uani 1 1 d . . .
H11C H 0.2482 0.6149 0.4609 0.026 Uiso 1 1 calc R . .
H11D H 0.3308 0.6905 0.4275 0.026 Uiso 1 1 calc R . .
C114 C 0.1723(5) 0.5950(4) 0.3651(3) 0.0245(13) Uani 1 1 d . . .
H11E H 0.1187 0.5297 0.3626 0.029 Uiso 1 1 calc R . .
H11F H 0.1172 0.6383 0.3706 0.029 Uiso 1 1 calc R . .
C115 C 0.2218(5) 0.5997(4) 0.3039(3) 0.0232(13) Uani 1 1 d . . .
H11G H 0.2667 0.6664 0.3045 0.028 Uiso 1 1 calc R . .
H11H H 0.1476 0.5775 0.2676 0.028 Uiso 1 1 calc R . .
C116 C 0.3144(5) 0.5394(4) 0.2946(2) 0.0183(12) Uani 1 1 d . . .
H11I H 0.3480 0.5470 0.2554 0.022 Uiso 1 1 calc R . .
H11J H 0.2679 0.4716 0.2898 0.022 Uiso 1 1 calc R . .
C121 C 0.5189(5) 0.3934(3) 0.3490(2) 0.0156(11) Uani 1 1 d . . .
H121 H 0.5840 0.3661 0.3307 0.019 Uiso 1 1 calc R . .
C122 C 0.5295(5) 0.3743(4) 0.4170(2) 0.0188(12) Uani 1 1 d . . .
H12A H 0.6147 0.4124 0.4432 0.023 Uiso 1 1 calc R . .
H12B H 0.4617 0.3942 0.4369 0.023 Uiso 1 1 calc R . .
C123 C 0.5138(5) 0.2688(4) 0.4155(3) 0.0224(13) Uani 1 1 d . . .
H12C H 0.5878 0.2512 0.4005 0.027 Uiso 1 1 calc R . .
H12D H 0.5152 0.2579 0.4592 0.027 Uiso 1 1 calc R . .
C124 C 0.3886(5) 0.2054(4) 0.3724(3) 0.0239(13) Uani 1 1 d . . .
H12E H 0.3875 0.1382 0.3693 0.029 Uiso 1 1 calc R . .
H12F H 0.3146 0.2152 0.3914 0.029 Uiso 1 1 calc R . .
C125 C 0.3737(5) 0.2260(4) 0.3068(3) 0.0212(13) Uani 1 1 d . . .
H12G H 0.2878 0.1877 0.2815 0.025 Uiso 1 1 calc R . .
H12H H 0.4404 0.2072 0.2854 0.025 Uiso 1 1 calc R . .
C126 C 0.3869(5) 0.3307(4) 0.3093(2) 0.0176(12) Uani 1 1 d . . .
H12I H 0.3169 0.3485 0.3282 0.021 Uiso 1 1 calc R . .
H12J H 0.3778 0.3420 0.2655 0.021 Uiso 1 1 calc R . .
C131 C 0.6898(4) 0.5806(3) 0.4105(2) 0.0126(11) Uani 1 1 d . . .
H131 H 0.6566 0.5637 0.4487 0.015 Uiso 1 1 calc R . .
C132 C 0.7272(5) 0.6887(3) 0.4205(3) 0.0167(12) Uani 1 1 d . . .
H13A H 0.7590 0.7077 0.3829 0.020 Uiso 1 1 calc R . .
H13B H 0.6500 0.7111 0.4246 0.020 Uiso 1 1 calc R . .
C133 C 0.8319(5) 0.7351(4) 0.4800(2) 0.0187(12) Uani 1 1 d . . .
H13C H 0.8575 0.8048 0.4838 0.022 Uiso 1 1 calc R . .
H13D H 0.7965 0.7218 0.5179 0.022 Uiso 1 1 calc R . .
C134 C 0.9506(5) 0.6994(4) 0.4785(3) 0.0217(13) Uani 1 1 d . . .
H13E H 1.0129 0.7273 0.5194 0.026 Uiso 1 1 calc R . .
H13F H 0.9931 0.7202 0.4441 0.026 Uiso 1 1 calc R . .
C135 C 0.9145(5) 0.5916(4) 0.4675(3) 0.0209(13) Uani 1 1 d . . .
H13G H 0.9923 0.5699 0.4635 0.025 Uiso 1 1 calc R . .
H13H H 0.8821 0.5713 0.5046 0.025 Uiso 1 1 calc R . .
C136 C 0.8115(5) 0.5462(4) 0.4078(2) 0.0188(12) Uani 1 1 d . . .
H13I H 0.7876 0.4763 0.4026 0.023 Uiso 1 1 calc R . .
H13J H 0.8469 0.5620 0.3703 0.023 Uiso 1 1 calc R . .
C1C C 0.7197(5) 0.5884(4) 0.1686(3) 0.0194(12) Uani 1 1 d . . .
H1C H 0.7490 0.6510 0.1940 0.023 Uiso 1 1 d R . .
C2C C 0.5893(5) 0.5524(3) 0.1441(2) 0.0143(11) Uani 1 1 d U . .
H2C H 0.5359 0.5923 0.1536 0.017 Uiso 1 1 calc R . .
C3C C 0.5252(5) 0.4555(4) 0.1037(3) 0.0225(13) Uani 1 1 d . . .
H3C1 H 0.5447 0.4539 0.0606 0.027 Uiso 1 1 calc R . .
H3C2 H 0.4304 0.4424 0.0997 0.027 Uiso 1 1 calc R . .
C4C C 0.5686(5) 0.3777(4) 0.1306(2) 0.0176(12) Uani 1 1 d . . .
H4C1 H 0.4987 0.3173 0.1158 0.021 Uiso 1 1 calc R . .
H4C2 H 0.6453 0.3686 0.1139 0.021 Uiso 1 1 calc R . .
C5C C 0.6017(5) 0.4006(3) 0.2027(3) 0.0171(12) Uani 1 1 d . . .
H5C H 0.5340 0.3839 0.2252 0.021 Uiso 1 1 calc R . .
C6C C 0.7290(5) 0.4457(3) 0.2383(3) 0.0182(12) Uani 1 1 d . . .
H6C H 0.7411 0.4526 0.2831 0.022 Uiso 1 1 calc R . .
C7C C 0.8464(5) 0.4838(4) 0.2117(3) 0.0229(13) Uani 1 1 d . . .
H7C1 H 0.8799 0.4304 0.1954 0.027 Uiso 1 1 calc R . .
H7C2 H 0.9143 0.5281 0.2465 0.027 Uiso 1 1 calc R . .
C8C C 0.8211(5) 0.5357(4) 0.1579(3) 0.0242(13) Uani 1 1 d . . .
H8C1 H 0.9027 0.5816 0.1558 0.029 Uiso 1 1 calc R . .
H8C2 H 0.7908 0.4892 0.1168 0.029 Uiso 1 1 calc R . .
Si1 Si 0.56837(13) 0.76196(9) 0.24410(7) 0.0106(3) Uani 1 1 d . . .
O1 O 0.5988(3) 0.6769(2) 0.27097(16) 0.0148(8) Uani 1 1 d . . .
Si2 Si 0.53831(13) 0.94576(10) 0.33076(7) 0.0121(3) Uani 1 1 d . . .
C21 C 0.5733(5) 0.9647(4) 0.4179(2) 0.0143(11) Uani 1 1 d . . .
H21A H 0.5609 1.0269 0.4353 0.017 Uiso 1 1 calc R . .
H21B H 0.5075 0.9156 0.4301 0.017 Uiso 1 1 calc R . .
C22 C 0.7063(5) 0.9630(4) 0.4513(3) 0.0191(12) Uani 1 1 d . . .
H22 H 0.7301 0.9096 0.4260 0.023 Uiso 1 1 calc R . .
C23 C 0.7055(5) 0.9458(4) 0.5176(3) 0.0229(13) Uani 1 1 d . . .
H23A H 0.7904 0.9410 0.5363 0.030 Uiso 1 1 calc R . .
H23B H 0.6395 0.8866 0.5157 0.030 Uiso 1 1 calc R . .
H23C H 0.6859 0.9987 0.5439 0.030 Uiso 1 1 calc R . .
C24 C 0.8087(5) 1.0544(4) 0.4535(3) 0.0326(15) Uani 1 1 d . . .
H24A H 0.7849 1.1084 0.4758 0.042 Uiso 1 1 calc R . .
H24B H 0.8151 1.0616 0.4101 0.042 Uiso 1 1 calc R . .
H24C H 0.8923 1.0522 0.4761 0.042 Uiso 1 1 calc R . .
Si3 Si 0.66849(13) 1.07107(10) 0.24547(7) 0.0121(3) Uani 1 1 d . . .
C31 C 0.7825(5) 1.1920(3) 0.2689(3) 0.0186(12) Uani 1 1 d . B .
H31A H 0.8106 1.2085 0.2300 0.022 Uiso 1 1 calc R . .
H31B H 0.7333 1.2363 0.2833 0.022 Uiso 1 1 calc R . .
C32 C 0.9039(5) 1.2125(4) 0.3198(3) 0.0239(13) Uani 1 1 d D . .
H32 H 0.8700 1.1990 0.3585 0.029 Uiso 1 1 calc R A 1
C33A C 0.9908(11) 1.1498(9) 0.3110(9) 0.026(4) Uani 0.52(4) 1 d PDU B 1
H33A H 1.0234 1.1550 0.2718 0.039 Uiso 0.52(4) 1 calc PR B 1
H33B H 0.9422 1.0838 0.3082 0.039 Uiso 0.52(4) 1 calc PR B 1
H33C H 1.0636 1.1695 0.3473 0.039 Uiso 0.52(4) 1 calc PR B 1
C33B C 0.9963(14) 1.1669(14) 0.2854(11) 0.042(5) Uani 0.48(4) 1 d PDU B 2
H33D H 1.0839 1.1903 0.3113 0.063 Uiso 0.48(4) 1 calc PR B 2
H33E H 0.9968 1.1840 0.2439 0.063 Uiso 0.48(4) 1 calc PR B 2
H33F H 0.9662 1.0977 0.2795 0.063 Uiso 0.48(4) 1 calc PR B 2
C34 C 0.9752(6) 1.3178(4) 0.3380(3) 0.0337(15) Uani 1 1 d . B .
H34A H 1.0519 1.3286 0.3711 0.044 Uiso 1 1 calc R . .
H34B H 0.9181 1.3534 0.3542 0.044 Uiso 1 1 calc R . .
H34C H 1.0017 1.3391 0.3006 0.044 Uiso 1 1 calc R . .
Si4 Si 0.39488(13) 1.04196(10) 0.15953(7) 0.0126(3) Uani 1 1 d . . .
C41 C 0.3412(5) 1.1434(3) 0.1396(2) 0.0156(11) Uani 1 1 d . . .
H41A H 0.3877 1.2005 0.1733 0.019 Uiso 1 1 calc R . .
H41B H 0.3673 1.1551 0.0994 0.019 Uiso 1 1 calc R . .
C42 C 0.1948(5) 1.1325(4) 0.1322(2) 0.0163(12) Uani 1 1 d . . .
H42 H 0.1655 1.1115 0.1702 0.020 Uiso 1 1 calc R . .
C43 C 0.1202(5) 1.0587(4) 0.0735(3) 0.0241(13) Uani 1 1 d . . .
H43A H 0.0280 1.0546 0.0689 0.031 Uiso 1 1 calc R . .
H43B H 0.1329 0.9969 0.0775 0.031 Uiso 1 1 calc R . .
H43C H 0.1511 1.0766 0.0361 0.031 Uiso 1 1 calc R . .
C44 C 0.1692(6) 1.2280(4) 0.1296(3) 0.0301(15) Uani 1 1 d . . .
H44A H 0.1965 1.2492 0.0922 0.039 Uiso 1 1 calc R . .
H44B H 0.2180 1.2748 0.1682 0.039 Uiso 1 1 calc R . .
H44C H 0.0767 1.2213 0.1266 0.039 Uiso 1 1 calc R . .
Si5 Si 0.42175(13) 0.86699(10) 0.07475(7) 0.0113(3) Uani 1 1 d . . .
C51 C 0.4210(5) 0.8366(4) -0.0112(2) 0.0164(12) Uani 1 1 d . . .
H51A H 0.4902 0.8873 -0.0199 0.020 Uiso 1 1 calc R . .
H51B H 0.4482 0.7777 -0.0187 0.020 Uiso 1 1 calc R . .
C52 C 0.3008(5) 0.8216(3) -0.0624(2) 0.0150(11) Uani 1 1 d . . .
H52 H 0.3240 0.8025 -0.1045 0.018 Uiso 1 1 calc R . .
C53 C 0.1877(5) 0.7408(4) -0.0566(3) 0.0218(13) Uani 1 1 d . . .
H53A H 0.1554 0.7601 -0.0182 0.028 Uiso 1 1 calc R . .
H53B H 0.2168 0.6843 -0.0538 0.028 Uiso 1 1 calc R . .
H53C H 0.1182 0.7264 -0.0940 0.028 Uiso 1 1 calc R . .
C54 C 0.2613(5) 0.9119(4) -0.0631(3) 0.0247(13) Uani 1 1 d . . .
H54A H 0.2341 0.9314 -0.0232 0.032 Uiso 1 1 calc R . .
H54B H 0.1894 0.9006 -0.0989 0.032 Uiso 1 1 calc R . .
H54C H 0.3348 0.9621 -0.0676 0.032 Uiso 1 1 calc R . .
Si6 Si 0.29474(13) 0.73988(10) 0.15914(7) 0.0118(3) Uani 1 1 d . . .
C61 C 0.1718(4) 0.6241(3) 0.1315(2) 0.0149(11) Uani 1 1 d . . .
H61A H 0.1333 0.6080 0.1681 0.018 Uiso 1 1 calc R . .
H61B H 0.1021 0.6312 0.0996 0.018 Uiso 1 1 calc R . .
C62 C 0.2168(5) 0.5397(3) 0.1021(3) 0.0171(12) Uani 1 1 d . . .
H62 H 0.2905 0.5347 0.1334 0.021 Uiso 1 1 calc R . .
C63 C 0.2643(5) 0.5537(4) 0.0411(3) 0.0243(13) Uani 1 1 d . . .
H63A H 0.1931 0.5578 0.0094 0.032 Uiso 1 1 calc R . .
H63B H 0.2952 0.4998 0.0245 0.032 Uiso 1 1 calc R . .
H63C H 0.3351 0.6124 0.0500 0.032 Uiso 1 1 calc R . .
C64 C 0.1084(5) 0.4475(4) 0.0899(3) 0.0311(15) Uani 1 1 d . . .
H64A H 0.0340 0.4514 0.0602 0.040 Uiso 1 1 calc R . .
H64B H 0.0828 0.4376 0.1301 0.040 Uiso 1 1 calc R . .
H64C H 0.1387 0.3943 0.0714 0.040 Uiso 1 1 calc R . .
Si7 Si 0.26640(13) 0.91627(10) 0.24820(7) 0.0120(3) Uani 1 1 d . . .
C71 C 0.1243(5) 0.9339(4) 0.2801(3) 0.0195(12) Uani 1 1 d . . .
H71A H 0.1481 0.9999 0.3051 0.023 Uiso 1 1 calc R . .
H71B H 0.0550 0.9283 0.2436 0.023 Uiso 1 1 calc R . .
C72 C 0.0666(5) 0.8675(4) 0.3224(3) 0.0209(12) Uani 1 1 d . . .
H72 H 0.1388 0.8653 0.3557 0.025 Uiso 1 1 calc R . .
C73 C 0.0001(5) 0.7668(4) 0.2848(3) 0.0308(15) Uani 1 1 d . . .
H73A H -0.0697 0.7676 0.2511 0.040 Uiso 1 1 calc R . .
H73B H -0.0358 0.7275 0.3133 0.040 Uiso 1 1 calc R . .
H73C H 0.0630 0.7405 0.2657 0.040 Uiso 1 1 calc R . .
C74 C -0.0294(5) 0.9068(4) 0.3559(3) 0.0341(15) Uani 1 1 d . . .
H74A H -0.1044 0.9049 0.3242 0.044 Uiso 1 1 calc R . .
H74B H 0.0127 0.9725 0.3788 0.044 Uiso 1 1 calc R . .
H74C H -0.0579 0.8680 0.3861 0.044 Uiso 1 1 calc R . .
Si8 Si 0.69694(13) 0.89026(10) 0.16228(7) 0.0111(3) Uani 1 1 d . . .
C81 C 0.8321(5) 0.8844(3) 0.1205(2) 0.0145(11) Uani 1 1 d . . .
H81A H 0.8246 0.9179 0.0851 0.017 Uiso 1 1 calc R . .
H81B H 0.9142 0.9197 0.1505 0.017 Uiso 1 1 calc R . .
C82 C 0.8412(5) 0.7845(3) 0.0932(3) 0.0164(12) Uani 1 1 d . . .
H82 H 0.8484 0.7507 0.1290 0.020 Uiso 1 1 calc R . .
C83 C 0.7213(5) 0.7277(4) 0.0444(3) 0.0267(14) Uani 1 1 d . . .
H83A H 0.6454 0.7215 0.0643 0.035 Uiso 1 1 calc R . .
H83B H 0.7296 0.6645 0.0280 0.035 Uiso 1 1 calc R . .
H83C H 0.7111 0.7604 0.0093 0.035 Uiso 1 1 calc R . .
C84 C 0.9621(5) 0.7905(4) 0.0644(3) 0.0224(13) Uani 1 1 d . . .
H84A H 0.9690 0.7263 0.0497 0.029 Uiso 1 1 calc R . .
H84B H 1.0388 0.8273 0.0966 0.029 Uiso 1 1 calc R . .
H84C H 0.9558 0.8217 0.0283 0.029 Uiso 1 1 calc R . .
O2 O 0.5657(3) 0.8479(2) 0.30068(16) 0.0149(8) Uani 1 1 d . . .
O3 O 0.4276(3) 0.7286(2) 0.19561(17) 0.0153(8) Uani 1 1 d . . .
O4 O 0.3206(3) 0.7857(2) 0.09759(16) 0.0138(8) Uani 1 1 d . . .
O5 O 0.3886(3) 0.9671(2) 0.09468(16) 0.0156(8) Uani 1 1 d . . .
O6 O 0.5430(3) 1.0786(2) 0.19839(17) 0.0158(8) Uani 1 1 d . . .
O7 O 0.6247(3) 1.0344(2) 0.30719(16) 0.0163(8) Uani 1 1 d . . .
O8 O 0.6733(3) 0.8089(2) 0.20336(16) 0.0131(8) Uani 1 1 d . . .
O9 O 0.7319(3) 0.9954(2) 0.20839(16) 0.0137(8) Uani 1 1 d . . .
O10 O 0.3870(3) 0.9379(2) 0.30752(16) 0.0174(8) Uani 1 1 d . . .
O11 O 0.5657(3) 0.8760(2) 0.11145(16) 0.0145(8) Uani 1 1 d . . .
O12 O 0.2396(3) 0.8098(2) 0.20682(17) 0.0159(8) Uani 1 1 d . . .
O13 O 0.3027(3) 0.9909(2) 0.20298(16) 0.0143(8) 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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
_geom_angle_publ_flag
O1 Rh1 P1 86.16(10) . . ?
C121 P1 C111 110.4(2) . . ?
C121 P1 C131 103.6(2) . . ?
C111 P1 C131 103.7(2) . . ?
C121 P1 Rh1 116.62(16) . . ?
C111 P1 Rh1 108.61(17) . . ?
C131 P1 Rh1 113.17(16) . . ?
C112 C111 C116 110.0(4) . . ?
C112 C111 P1 116.8(3) . . ?
C116 C111 P1 113.8(3) . . ?
C112 C111 H111 105.0 . . ?
C116 C111 H111 105.0 . . ?
P1 C111 H111 105.0 . . ?
C113 C112 C111 110.4(4) . . ?
C113 C112 H11A 109.6 . . ?
C111 C112 H11A 109.6 . . ?
C113 C112 H11B 109.6 . . ?
C111 C112 H11B 109.6 . . ?
H11A C112 H11B 108.1 . . ?
C114 C113 C112 110.9(4) . . ?
C114 C113 H11C 109.5 . . ?
C112 C113 H11C 109.5 . . ?
C114 C113 H11D 109.5 . . ?
C112 C113 H11D 109.5 . . ?
H11C C113 H11D 108.1 . . ?
C115 C114 C113 111.2(4) . . ?
C115 C114 H11E 109.4 . . ?
C113 C114 H11E 109.4 . . ?
C115 C114 H11F 109.4 . . ?
C113 C114 H11F 109.4 . . ?
H11E C114 H11F 108.0 . . ?
C114 C115 C116 112.2(4) . . ?
C114 C115 H11G 109.2 . . ?
C116 C115 H11G 109.2 . . ?
C114 C115 H11H 109.2 . . ?
C116 C115 H11H 109.2 . . ?
H11G C115 H11H 107.9 . . ?
C115 C116 C111 109.8(4) . . ?
C115 C116 H11I 109.7 . . ?
C111 C116 H11I 109.7 . . ?
C115 C116 H11J 109.7 . . ?
C111 C116 H11J 109.7 . . ?
H11I C116 H11J 108.2 . . ?
C126 C121 C122 107.9(4) . . ?
C126 C121 P1 114.7(4) . . ?
C122 C121 P1 118.4(3) . . ?
C126 C121 H121 104.8 . . ?
C122 C121 H121 104.8 . . ?
P1 C121 H121 104.8 . . ?
C123 C122 C121 110.8(4) . . ?
C123 C122 H12A 109.5 . . ?
C121 C122 H12A 109.5 . . ?
C123 C122 H12B 109.5 . . ?
C121 C122 H12B 109.5 . . ?
H12A C122 H12B 108.1 . . ?
C124 C123 C122 112.4(4) . . ?
C124 C123 H12C 109.1 . . ?
C122 C123 H12C 109.1 . . ?
C124 C123 H12D 109.1 . . ?
C122 C123 H12D 109.1 . . ?
H12C C123 H12D 107.9 . . ?
C125 C124 C123 111.8(5) . . ?
C125 C124 H12E 109.2 . . ?
C123 C124 H12E 109.2 . . ?
C125 C124 H12F 109.2 . . ?
C123 C124 H12F 109.2 . . ?
H12E C124 H12F 107.9 . . ?
C124 C125 C126 111.4(4) . . ?
C124 C125 H12G 109.3 . . ?
C126 C125 H12G 109.3 . . ?
C124 C125 H12H 109.3 . . ?
C126 C125 H12H 109.3 . . ?
H12G C125 H12H 108.0 . . ?
C125 C126 C121 111.2(4) . . ?
C125 C126 H12I 109.4 . . ?
C121 C126 H12I 109.4 . . ?
C125 C126 H12J 109.4 . . ?
C121 C126 H12J 109.4 . . ?
H12I C126 H12J 108.0 . . ?
C132 C131 C136 109.4(4) . . ?
C132 C131 P1 114.3(3) . . ?
C136 C131 P1 110.8(3) . . ?
C132 C131 H131 107.4 . . ?
C136 C131 H131 107.4 . . ?
P1 C131 H131 107.4 . . ?
C133 C132 C131 111.1(4) . . ?
C133 C132 H13A 109.4 . . ?
C131 C132 H13A 109.4 . . ?
C133 C132 H13B 109.4 . . ?
C131 C132 H13B 109.4 . . ?
H13A C132 H13B 108.0 . . ?
C134 C133 C132 112.2(4) . . ?
C134 C133 H13C 109.2 . . ?
C132 C133 H13C 109.2 . . ?
C134 C133 H13D 109.2 . . ?
C132 C133 H13D 109.2 . . ?
H13C C133 H13D 107.9 . . ?
C133 C134 C135 111.1(4) . . ?
C133 C134 H13E 109.4 . . ?
C135 C134 H13E 109.4 . . ?
C133 C134 H13F 109.4 . . ?
C135 C134 H13F 109.4 . . ?
H13E C134 H13F 108.0 . . ?
C136 C135 C134 111.0(4) . . ?
C136 C135 H13G 109.4 . . ?
C134 C135 H13G 109.4 . . ?
C136 C135 H13H 109.4 . . ?
C134 C135 H13H 109.4 . . ?
H13G C135 H13H 108.0 . . ?
C135 C136 C131 111.6(4) . . ?
C135 C136 H13I 109.3 . . ?
C131 C136 H13I 109.3 . . ?
C135 C136 H13J 109.3 . . ?
C131 C136 H13J 109.3 . . ?
H13I C136 H13J 108.0 . . ?
C2C C1C C8C 125.1(5) . . ?
C2C C1C H1C 117.3 . . ?
C8C C1C H1C 117.6 . . ?
C1C C2C C3C 125.1(4) . . ?
C1C C2C H2C 117.5 . . ?
C3C C2C H2C 117.5 . . ?
C2C C3C C4C 112.9(4) . . ?
C2C C3C H3C1 109.0 . . ?
C4C C3C H3C1 109.0 . . ?
C2C C3C H3C2 109.0 . . ?
C4C C3C H3C2 109.0 . . ?
H3C1 C3C H3C2 107.8 . . ?
C5C C4C C3C 112.6(4) . . ?
C5C C4C H4C1 109.1 . . ?
C3C C4C H4C1 109.1 . . ?
C5C C4C H4C2 109.1 . . ?
C3C C4C H4C2 109.1 . . ?
H4C1 C4C H4C2 107.8 . . ?
C6C C5C C4C 123.2(5) . . ?
C6C C5C H5C 118.4 . . ?
C4C C5C H5C 118.4 . . ?
C5C C6C C7C 126.2(5) . . ?
C5C C6C H6C 116.9 . . ?
C7C C6C H6C 116.9 . . ?
C6C C7C C8C 114.0(4) . . ?
C6C C7C H7C1 108.8 . . ?
C8C C7C H7C1 108.8 . . ?
C6C C7C H7C2 108.8 . . ?
C8C C7C H7C2 108.8 . . ?
H7C1 C7C H7C2 107.6 . . ?
C1C C8C C7C 111.2(4) . . ?
C1C C8C H8C1 109.4 . . ?
C7C C8C H8C1 109.4 . . ?
C1C C8C H8C2 109.4 . . ?
C7C C8C H8C2 109.4 . . ?
H8C1 C8C H8C2 108.0 . . ?
O1 Si1 O2 111.75(19) . . ?
O1 Si1 O3 111.38(18) . . ?
O2 Si1 O3 107.41(17) . . ?
O1 Si1 O8 113.68(17) . . ?
O2 Si1 O8 106.46(18) . . ?
O3 Si1 O8 105.74(18) . . ?
Si1 O1 Rh1 143.1(2) . . ?
O2 Si2 O10 109.18(18) . . ?
O2 Si2 O7 110.81(18) . . ?
O10 Si2 O7 108.29(18) . . ?
O2 Si2 C21 109.1(2) . . ?
O10 Si2 C21 108.5(2) . . ?
O7 Si2 C21 110.9(2) . . ?
C22 C21 Si2 118.8(3) . . ?
C22 C21 H21A 107.6 . . ?
Si2 C21 H21A 107.6 . . ?
C22 C21 H21B 107.6 . . ?
Si2 C21 H21B 107.6 . . ?
H21A C21 H21B 107.1 . . ?
C23 C22 C24 110.0(5) . . ?
C23 C22 C21 112.0(4) . . ?
C24 C22 C21 111.1(4) . . ?
C23 C22 H22 107.9 . . ?
C24 C22 H22 107.9 . . ?
C21 C22 H22 107.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O7 Si3 O6 109.47(18) . . ?
O7 Si3 O9 108.83(18) . . ?
O6 Si3 O9 109.63(18) . . ?
O7 Si3 C31 111.0(2) . . ?
O6 Si3 C31 106.4(2) . . ?
O9 Si3 C31 111.5(2) . . ?
C32 C31 Si3 119.8(4) . . ?
C32 C31 H31A 107.4 . . ?
Si3 C31 H31A 107.4 . . ?
C32 C31 H31B 107.4 . . ?
Si3 C31 H31B 107.4 . . ?
H31A C31 H31B 106.9 . . ?
C33A C32 C34 113.7(7) . . ?
C33A C32 C31 117.7(7) . . ?
C34 C32 C31 111.6(4) . . ?
C34 C32 C33B 103.9(8) . . ?
C31 C32 C33B 104.4(9) . . ?
C33A C32 H32 104.1 . . ?
C34 C32 H32 104.0 . . ?
C31 C32 H32 104.0 . . ?
C33B C32 H32 128.7 . . ?
C32 C33A H33A 109.5 . . ?
C32 C33A H33B 109.5 . . ?
C32 C33A H33C 109.5 . . ?
C32 C33B H33D 109.5 . . ?
C32 C33B H33E 109.5 . . ?
H33D C33B H33E 109.5 . . ?
C32 C33B H33F 109.5 . . ?
H33D C33B H33F 109.5 . . ?
H33E C33B H33F 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O6 Si4 O13 109.41(19) . . ?
O6 Si4 O5 108.15(18) . . ?
O13 Si4 O5 110.30(18) . . ?
O6 Si4 C41 109.9(2) . . ?
O13 Si4 C41 109.2(2) . . ?
O5 Si4 C41 109.8(2) . . ?
C42 C41 Si4 116.0(3) . . ?
C42 C41 H41A 108.3 . . ?
Si4 C41 H41A 108.3 . . ?
C42 C41 H41B 108.3 . . ?
Si4 C41 H41B 108.3 . . ?
H41A C41 H41B 107.4 . . ?
C43 C42 C44 110.7(4) . . ?
C43 C42 C41 110.8(4) . . ?
C44 C42 C41 109.7(4) . . ?
C43 C42 H42 108.5 . . ?
C44 C42 H42 108.5 . . ?
C41 C42 H42 108.5 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O11 Si5 O4 108.17(18) . . ?
O11 Si5 O5 109.20(18) . . ?
O4 Si5 O5 108.36(18) . . ?
O11 Si5 C51 106.6(2) . . ?
O4 Si5 C51 112.5(2) . . ?
O5 Si5 C51 111.8(2) . . ?
C52 C51 Si5 122.7(3) . . ?
C52 C51 H51A 106.7 . . ?
Si5 C51 H51A 106.7 . . ?
C52 C51 H51B 106.7 . . ?
Si5 C51 H51B 106.7 . . ?
H51A C51 H51B 106.6 . . ?
C54 C52 C53 111.0(4) . . ?
C54 C52 C51 112.2(4) . . ?
C53 C52 C51 112.1(4) . . ?
C54 C52 H52 107.1 . . ?
C53 C52 H52 107.1 . . ?
C51 C52 H52 107.1 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O3 Si6 O12 109.72(19) . . ?
O3 Si6 O4 109.62(18) . . ?
O12 Si6 O4 109.02(18) . . ?
O3 Si6 C61 111.0(2) . . ?
O12 Si6 C61 108.76(19) . . ?
O4 Si6 C61 108.6(2) . . ?
C62 C61 Si6 117.1(3) . . ?
C62 C61 H61A 108.0 . . ?
Si6 C61 H61A 108.0 . . ?
C62 C61 H61B 108.0 . . ?
Si6 C61 H61B 108.0 . . ?
H61A C61 H61B 107.3 . . ?
C63 C62 C64 110.5(5) . . ?
C63 C62 C61 111.7(4) . . ?
C64 C62 C61 110.4(4) . . ?
C63 C62 H62 108.0 . . ?
C64 C62 H62 108.0 . . ?
C61 C62 H62 108.0 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O12 Si7 O13 108.64(19) . . ?
O12 Si7 O10 109.73(18) . . ?
O13 Si7 O10 109.10(19) . . ?
O12 Si7 C71 112.3(2) . . ?
O13 Si7 C71 108.6(2) . . ?
O10 Si7 C71 108.4(2) . . ?
C72 C71 Si7 118.6(3) . . ?
C72 C71 H71A 107.7 . . ?
Si7 C71 H71A 107.7 . . ?
C72 C71 H71B 107.7 . . ?
Si7 C71 H71B 107.7 . . ?
H71A C71 H71B 107.1 . . ?
C73 C72 C74 109.6(4) . . ?
C73 C72 C71 112.2(5) . . ?
C74 C72 C71 110.4(4) . . ?
C73 C72 H72 108.2 . . ?
C74 C72 H72 108.2 . . ?
C71 C72 H72 108.2 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C72 C74 H74A 109.5 . . ?
C72 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C72 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O8 Si8 O11 109.14(18) . . ?
O8 Si8 O9 110.57(19) . . ?
O11 Si8 O9 107.79(17) . . ?
O8 Si8 C81 110.5(2) . . ?
O11 Si8 C81 110.2(2) . . ?
O9 Si8 C81 108.6(2) . . ?
C82 C81 Si8 116.4(3) . . ?
C82 C81 H81A 108.2 . . ?
Si8 C81 H81A 108.2 . . ?
C82 C81 H81B 108.2 . . ?
Si8 C81 H81B 108.2 . . ?
H81A C81 H81B 107.3 . . ?
C83 C82 C84 110.5(4) . . ?
C83 C82 C81 111.2(4) . . ?
C84 C82 C81 110.7(4) . . ?
C83 C82 H82 108.1 . . ?
C84 C82 H82 108.1 . . ?
C81 C82 H82 108.1 . . ?
C82 C83 H83A 109.5 . . ?
C82 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C82 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C82 C84 H84A 109.5 . . ?
C82 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C82 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
Si2 O2 Si1 156.1(2) . . ?
Si6 O3 Si1 156.9(2) . . ?
Si5 O4 Si6 142.5(2) . . ?
Si5 O5 Si4 137.9(2) . . ?
Si4 O6 Si3 154.9(2) . . ?
Si3 O7 Si2 144.3(2) . . ?
Si8 O8 Si1 139.4(2) . . ?
Si3 O9 Si8 143.2(2) . . ?
Si2 O10 Si7 147.4(2) . . ?
Si5 O11 Si8 167.2(2) . . ?
Si7 O12 Si6 145.4(2) . . ?
Si4 O13 Si7 152.4(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O1 2.041(3) . ?
Rh1 P1 2.3251(14) . ?
P1 C121 1.845(5) . ?
P1 C111 1.851(5) . ?
P1 C131 1.853(5) . ?
C111 C112 1.534(6) . ?
C111 C116 1.534(7) . ?
C111 H111 1.0000 . ?
C112 C113 1.529(7) . ?
C112 H11A 0.9900 . ?
C112 H11B 0.9900 . ?
C113 C114 1.516(7) . ?
C113 H11C 0.9900 . ?
C113 H11D 0.9900 . ?
C114 C115 1.515(7) . ?
C114 H11E 0.9900 . ?
C114 H11F 0.9900 . ?
C115 C116 1.522(7) . ?
C115 H11G 0.9900 . ?
C115 H11H 0.9900 . ?
C116 H11I 0.9900 . ?
C116 H11J 0.9900 . ?
C121 C126 1.543(7) . ?
C121 C122 1.548(7) . ?
C121 H121 1.0000 . ?
C122 C123 1.532(7) . ?
C122 H12A 0.9900 . ?
C122 H12B 0.9900 . ?
C123 C124 1.521(7) . ?
C123 H12C 0.9900 . ?
C123 H12D 0.9900 . ?
C124 C125 1.504(7) . ?
C124 H12E 0.9900 . ?
C124 H12F 0.9900 . ?
C125 C126 1.522(7) . ?
C125 H12G 0.9900 . ?
C125 H12H 0.9900 . ?
C126 H12I 0.9900 . ?
C126 H12J 0.9900 . ?
C131 C132 1.528(6) . ?
C131 C136 1.543(6) . ?
C131 H131 1.0000 . ?
C132 C133 1.526(7) . ?
C132 H13A 0.9900 . ?
C132 H13B 0.9900 . ?
C133 C134 1.519(7) . ?
C133 H13C 0.9900 . ?
C133 H13D 0.9900 . ?
C134 C135 1.522(7) . ?
C134 H13E 0.9900 . ?
C134 H13F 0.9900 . ?
C135 C136 1.518(7) . ?
C135 H13G 0.9900 . ?
C135 H13H 0.9900 . ?
C136 H13I 0.9900 . ?
C136 H13J 0.9900 . ?
C1C C2C 1.376(7) . ?
C1C C8C 1.529(7) . ?
C1C H1C 0.9500 . ?
C2C C3C 1.494(7) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.527(7) . ?
C3C H3C1 0.9900 . ?
C3C H3C2 0.9900 . ?
C4C C5C 1.517(7) . ?
C4C H4C1 0.9900 . ?
C4C H4C2 0.9900 . ?
C5C C6C 1.420(7) . ?
C5C H5C 0.9500 . ?
C6C C7C 1.504(7) . ?
C6C H6C 0.9500 . ?
C7C C8C 1.537(7) . ?
C7C H7C1 0.9900 . ?
C7C H7C2 0.9900 . ?
C8C H8C1 0.9900 . ?
C8C H8C2 0.9900 . ?
Si1 O1 1.569(3) . ?
Si1 O2 1.629(3) . ?
Si1 O3 1.637(3) . ?
Si1 O8 1.641(3) . ?
Si2 O2 1.611(3) . ?
Si2 O10 1.622(3) . ?
Si2 O7 1.626(4) . ?
Si2 C21 1.837(5) . ?
C21 C22 1.531(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.509(7) . ?
C22 C24 1.518(7) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
Si3 O7 1.624(4) . ?
Si3 O6 1.624(3) . ?
Si3 O9 1.626(3) . ?
Si3 C31 1.853(5) . ?
C31 C32 1.525(7) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33A 1.497(8) . ?
C32 C34 1.520(7) . ?
C32 C33B 1.558(9) . ?
C32 H32 1.0000 . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C33B H33D 0.9800 . ?
C33B H33E 0.9800 . ?
C33B H33F 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
Si4 O6 1.619(3) . ?
Si4 O13 1.620(3) . ?
Si4 O5 1.625(3) . ?
Si4 C41 1.845(5) . ?
C41 C42 1.544(6) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.508(7) . ?
C42 C44 1.525(7) . ?
C42 H42 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
Si5 O11 1.615(3) . ?
Si5 O4 1.621(3) . ?
Si5 O5 1.625(3) . ?
Si5 C51 1.847(5) . ?
C51 C52 1.533(7) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C54 1.513(6) . ?
C52 C53 1.530(7) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
Si6 O3 1.607(3) . ?
Si6 O12 1.629(3) . ?
Si6 O4 1.632(4) . ?
Si6 C61 1.842(5) . ?
C61 C62 1.536(6) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.523(7) . ?
C62 C64 1.525(7) . ?
C62 H62 1.0000 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
Si7 O12 1.619(3) . ?
Si7 O13 1.620(4) . ?
Si7 O10 1.627(4) . ?
Si7 C71 1.846(5) . ?
C71 C72 1.545(7) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 C73 1.521(7) . ?
C72 C74 1.535(7) . ?
C72 H72 1.0000 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
Si8 O8 1.617(3) . ?
Si8 O11 1.618(3) . ?
Si8 O9 1.632(3) . ?
Si8 C81 1.854(5) . ?
C81 C82 1.540(6) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.513(7) . ?
C82 C84 1.530(6) . ?
C82 H82 1.0000 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
