#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:41:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179858 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/54/7015466.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_7015466
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         'C72 H150 O26 Rh2 Si16'
_chemical_formula_sum            'C72 H150 O26 Rh2 Si16'
_chemical_formula_weight         2087.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 98.940(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.084(2)
_cell_length_b                   19.082(2)
_cell_length_c                   28.570(3)
_cell_measurement_reflns_used    13335
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.0312
_cell_measurement_theta_min      2.0472
_cell_volume                     10816(2)
_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      295(2)
_diffrn_detector_area_resol_mean 8.1929
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       '/w scan'
_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  0.0508
_diffrn_reflns_av_sigmaI/netI    0.0788
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            50571
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.96
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    0.544
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74362
_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    1.282
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4416
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.862
_refine_diff_density_min         -1.082
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.181
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         12106
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.197
_refine_ls_R_factor_all          0.1098
_refine_ls_R_factor_gt           0.0683
_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)+(0.0966P)²+2.0792P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1946
_refine_ls_wR_factor_ref         0.2041
_reflns_number_gt                7342
_reflns_number_total             12106
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01631d.txt
_cod_data_source_block           2
_cod_original_cell_volume        10816.2(19)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7015466
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
Rh1 Rh 0.95326(2) 0.74398(2) 0.205031(15) 0.03346(14) Uani 1 1 d . . .
C1 C 0.8484(3) 0.7466(3) 0.1825(2) 0.0495(15) Uani 1 1 d . . .
H1A H 0.8428 0.7108 0.2036 0.059 Uiso 1 1 calc R . .
C2 C 0.8709(3) 0.8112(4) 0.2015(3) 0.0559(18) Uani 1 1 d . . .
H2A H 0.8829 0.8151 0.2342 0.067 Uiso 1 1 calc R . .
C3 C 0.8765(4) 0.8754(4) 0.1711(3) 0.082(3) Uani 1 1 d . . .
H3A H 0.8416 0.8734 0.1435 0.098 Uiso 1 1 calc R . .
H3B H 0.8686 0.9170 0.1890 0.098 Uiso 1 1 calc R . .
C4 C 0.9432(4) 0.8818(4) 0.1550(3) 0.067(2) Uani 1 1 d . . .
H4A H 0.9708 0.9145 0.1756 0.080 Uiso 1 1 calc R . .
H4B H 0.9366 0.9014 0.1232 0.080 Uiso 1 1 calc R . .
C5 C 0.9806(3) 0.8143(3) 0.1545(2) 0.0459(15) Uani 1 1 d . . .
H5A H 1.0245 0.8130 0.1707 0.055 Uiso 1 1 calc R . .
C6 C 0.9549(3) 0.7527(4) 0.1317(2) 0.0511(16) Uani 1 1 d . . .
H6A H 0.9824 0.7132 0.1344 0.061 Uiso 1 1 calc R . .
C7 C 0.8839(4) 0.7463(4) 0.1024(2) 0.065(2) Uani 1 1 d . . .
H7A H 0.8726 0.7901 0.0858 0.079 Uiso 1 1 calc R . .
H7B H 0.8845 0.7099 0.0788 0.079 Uiso 1 1 calc R . .
C8 C 0.8323(4) 0.7302(5) 0.1303(3) 0.074(2) Uani 1 1 d . . .
H8A H 0.8220 0.6806 0.1268 0.089 Uiso 1 1 calc R . .
H8B H 0.7919 0.7558 0.1172 0.089 Uiso 1 1 calc R . .
O1 O 1.05276(17) 0.70819(19) 0.22657(12) 0.0340(8) Uani 1 1 d . . .
Si1 Si 1.10028(8) 0.66959(8) 0.19510(5) 0.0349(4) Uani 1 1 d . . .
O12 O 1.05996(19) 0.6069(2) 0.16521(14) 0.0419(10) Uani 1 1 d . . .
Si2 Si 1.04256(8) 0.54327(9) 0.12905(6) 0.0405(4) Uani 1 1 d . . .
C21 C 0.9536(3) 0.5171(4) 0.1221(2) 0.0568(18) Uani 1 1 d . . .
H21A H 0.9267 0.5585 0.1126 0.068 Uiso 1 1 calc R . .
H21B H 0.9457 0.4843 0.0959 0.068 Uiso 1 1 calc R . .
C22 C 0.9268(3) 0.4851(4) 0.1625(3) 0.066(2) Uani 1 1 d . . .
H22A H 0.9579 0.4481 0.1760 0.079 Uiso 1 1 calc R . .
C23 C 0.9210(4) 0.5383(4) 0.2007(3) 0.073(2) Uani 1 1 d . . .
H23A H 0.9645 0.5582 0.2117 0.109 Uiso 1 1 calc R . .
H23B H 0.9044 0.5158 0.2267 0.109 Uiso 1 1 calc R . .
H23C H 0.8903 0.5747 0.1881 0.109 Uiso 1 1 calc R . .
C24 C 0.8573(4) 0.4514(6) 0.1449(4) 0.117(4) Uani 1 1 d . . .
H24A H 0.8405 0.4298 0.1710 0.175 Uiso 1 1 calc R . .
H24B H 0.8620 0.4166 0.1213 0.175 Uiso 1 1 calc R . .
H24C H 0.8263 0.4869 0.1313 0.175 Uiso 1 1 calc R . .
O23 O 1.09150(19) 0.4783(2) 0.14722(15) 0.0440(10) Uani 1 1 d . . .
Si3 Si 1.17081(8) 0.45885(8) 0.16223(6) 0.0388(4) Uani 1 1 d . . .
C31 C 1.1814(3) 0.3673(3) 0.1822(2) 0.0511(16) Uani 1 1 d D B .
H31A H 1.1546 0.3382 0.1586 0.061 Uiso 1 1 calc R . .
H31B H 1.2282 0.3547 0.1822 0.061 Uiso 1 1 calc R . .
C32 C 1.1640(3) 0.3476(3) 0.2295(3) 0.067(2) Uani 1 1 d D . .
H32A H 1.1847 0.3859 0.2495 0.080 Uiso 1 1 calc R A 1
C33 C 1.0895(3) 0.3575(4) 0.2328(3) 0.083(3) Uani 1 1 d D B .
H33A H 1.0780 0.4062 0.2290 0.125 Uiso 1 1 calc R . .
H33B H 1.0809 0.3416 0.2632 0.125 Uiso 1 1 calc R . .
H33C H 1.0627 0.3309 0.2083 0.125 Uiso 1 1 calc R . .
C34A C 1.1960(6) 0.2849(7) 0.2548(5) 0.074(4) Uiso 0.55 1 d PD B 1
H34A H 1.2247 0.2995 0.2831 0.111 Uiso 0.55 1 calc PR B 1
H34B H 1.2222 0.2605 0.2346 0.111 Uiso 0.55 1 calc PR B 1
H34C H 1.1616 0.2543 0.2630 0.111 Uiso 0.55 1 calc PR B 1
C34B C 1.1788(7) 0.2662(5) 0.2367(5) 0.058(4) Uiso 0.45 1 d PD B 2
H34D H 1.2255 0.2573 0.2353 0.087 Uiso 0.45 1 calc PR B 2
H34E H 1.1513 0.2403 0.2121 0.087 Uiso 0.45 1 calc PR B 2
H34F H 1.1686 0.2519 0.2670 0.087 Uiso 0.45 1 calc PR B 2
O34 O 1.20290(19) 0.51001(19) 0.20491(14) 0.0435(10) Uani 1 1 d . . .
Si4 Si 1.23010(8) 0.58401(8) 0.22763(6) 0.0344(4) Uani 1 1 d . . .
C41 C 1.2705(3) 0.5746(3) 0.2902(2) 0.0457(15) Uani 1 1 d . . .
H41A H 1.2759 0.6213 0.3037 0.055 Uiso 1 1 calc R . .
H41B H 1.2392 0.5499 0.3069 0.055 Uiso 1 1 calc R . .
C42 C 1.3388(4) 0.5375(5) 0.3015(3) 0.073(2) Uani 1 1 d . . .
H42A H 1.3710 0.5626 0.2851 0.088 Uiso 1 1 calc R . .
C43 C 1.3626(4) 0.5435(6) 0.3548(3) 0.107(4) Uani 1 1 d . . .
H43A H 1.3644 0.5919 0.3639 0.161 Uiso 1 1 calc R . .
H43B H 1.4067 0.5231 0.3625 0.161 Uiso 1 1 calc R . .
H43C H 1.3318 0.5190 0.3715 0.161 Uiso 1 1 calc R . .
C44 C 1.3373(5) 0.4621(6) 0.2859(4) 0.115(4) Uiso 1 1 d . . .
H44A H 1.3220 0.4594 0.2524 0.173 Uiso 1 1 calc R . .
H44B H 1.3071 0.4361 0.3024 0.173 Uiso 1 1 calc R . .
H44C H 1.3818 0.4425 0.2930 0.173 Uiso 1 1 calc R . .
O45 O 1.2833(2) 0.6160(2) 0.19583(15) 0.0498(11) Uani 1 1 d . . .
Si5 Si 1.29486(9) 0.64435(10) 0.14428(7) 0.0500(5) Uani 1 1 d . . .
C51 C 1.3800(3) 0.6801(3) 0.1474(2) 0.0502(16) Uani 1 1 d . . .
H51A H 1.3915 0.6795 0.1157 0.060 Uiso 1 1 calc R . .
H51B H 1.3788 0.7288 0.1571 0.060 Uiso 1 1 calc R . .
C52 C 1.4336(4) 0.6457(4) 0.1786(4) 0.096(3) Uani 1 1 d D . .
H52A H 1.4216 0.6497 0.2105 0.115 Uiso 1 1 calc R . .
C53 C 1.4445(5) 0.5693(4) 0.1711(5) 0.144(6) Uani 1 1 d D . .
H53A H 1.4027 0.5447 0.1706 0.216 Uiso 1 1 calc R . .
H53B H 1.4772 0.5516 0.1964 0.216 Uiso 1 1 calc R . .
H53C H 1.4605 0.5626 0.1415 0.216 Uiso 1 1 calc R . .
C54 C 1.5014(4) 0.6842(5) 0.1808(4) 0.106(4) Uani 1 1 d . . .
H54A H 1.5355 0.6598 0.2019 0.159 Uiso 1 1 calc R . .
H54B H 1.4971 0.7311 0.1921 0.159 Uiso 1 1 calc R . .
H54C H 1.5138 0.6857 0.1497 0.159 Uiso 1 1 calc R . .
O56 O 1.2843(2) 0.5799(3) 0.10661(18) 0.0680(14) Uani 1 1 d . . .
Si6 Si 1.23639(9) 0.52083(10) 0.07891(6) 0.0466(4) Uani 1 1 d . . .
C61 C 1.2842(3) 0.4689(4) 0.0412(2) 0.0598(19) Uani 1 1 d D C .
H61A H 1.3034 0.5015 0.0209 0.072 Uiso 1 1 calc R . .
H61B H 1.3217 0.4476 0.0619 0.072 Uiso 1 1 calc R . .
C62 C 1.2504(5) 0.4126(4) 0.0105(3) 0.092(3) Uani 1 1 d D . .
C63 C 1.3063(5) 0.3743(7) -0.0144(5) 0.155(5) Uiso 1 1 d D C .
H63A H 1.2856 0.3375 -0.0346 0.233 Uiso 1 1 calc R . .
H63B H 1.3402 0.3547 0.0093 0.233 Uiso 1 1 calc R . .
H63C H 1.3266 0.4076 -0.0331 0.233 Uiso 1 1 calc R . .
C64A C 1.1959(6) 0.4375(9) -0.0284(5) 0.133(7) Uiso 0.64 1 d PD C 1
H62A H 1.2305 0.3788 0.0302 0.160 Uiso 0.64 1 d PR C 1
H64A H 1.1611 0.4606 -0.0147 0.200 Uiso 0.64 1 d PR C 1
H64B H 1.1771 0.3981 -0.0468 0.200 Uiso 0.64 1 d PR C 1
H64C H 1.2149 0.4697 -0.0485 0.200 Uiso 0.64 1 d PR C 1
C64B C 1.2152(10) 0.3570(8) 0.0356(7) 0.111(10) Uiso 0.36 1 d PD C 2
H62B H 1.2176 0.4340 -0.0148 0.133 Uiso 0.36 1 d PR C 2
H64D H 1.1823 0.3791 0.0518 0.166 Uiso 0.36 1 d PR C 2
H64E H 1.2478 0.3331 0.0582 0.166 Uiso 0.36 1 d PR C 2
H64F H 1.1932 0.3239 0.0130 0.166 Uiso 0.36 1 d PR C 2
O67 O 1.1741(2) 0.5584(3) 0.04731(16) 0.0627(13) Uani 1 1 d . . .
Si7 Si 1.10668(10) 0.60678(11) 0.04649(6) 0.0554(5) Uani 1 1 d . . .
C71 C 1.0657(4) 0.6197(4) -0.0141(2) 0.076(2) Uani 1 1 d D E .
H71A H 1.1001 0.6355 -0.0320 0.091 Uiso 1 1 calc R . .
H71B H 1.0510 0.5740 -0.0265 0.091 Uiso 1 1 calc R . .
C72 C 1.0085(5) 0.6671(4) -0.0254(3) 0.115(4) Uani 1 1 d D . .
H72A H 1.0246 0.7130 -0.0131 0.138 Uiso 1 1 calc R D 1
C73 C 0.9891(6) 0.6768(7) -0.0793(4) 0.144(5) Uiso 1 1 d . E .
H73A H 1.0291 0.6840 -0.0932 0.215 Uiso 1 1 calc R . .
H73B H 0.9600 0.7168 -0.0855 0.215 Uiso 1 1 calc R . .
H73C H 0.9660 0.6357 -0.0928 0.215 Uiso 1 1 calc R . .
C74A C 0.9477(6) 0.6511(11) -0.0026(8) 0.171(9) Uiso 0.67 1 d PD E 1
H74A H 0.9614 0.6439 0.0308 0.257 Uiso 0.67 1 calc PR E 1
H74B H 0.9260 0.6095 -0.0165 0.257 Uiso 0.67 1 calc PR E 1
H74C H 0.9167 0.6897 -0.0074 0.257 Uiso 0.67 1 calc PR E 1
C74B C 0.9939(12) 0.7262(10) 0.0048(9) 0.096(9) Uiso 0.33 1 d PD E 2
H74D H 1.0074 0.7141 0.0375 0.145 Uiso 0.33 1 calc PR E 2
H74E H 0.9464 0.7359 -0.0008 0.145 Uiso 0.33 1 calc PR E 2
H74F H 1.0182 0.7669 -0.0027 0.145 Uiso 0.33 1 calc PR E 2
O78 O 1.1271(2) 0.6816(2) 0.07024(15) 0.0557(12) Uani 1 1 d . F .
Si8 Si 1.16367(10) 0.73129(9) 0.11238(6) 0.0482(5) Uani 1 1 d . . .
C81A C 1.1704(5) 0.8249(6) 0.0982(3) 0.057(3) Uiso 0.67 1 d PD F 1
H81A H 1.1255 0.8445 0.0962 0.068 Uiso 0.67 1 calc PR F 1
H81B H 1.1977 0.8465 0.1254 0.068 Uiso 0.67 1 calc PR F 1
C82A C 1.1989(6) 0.8507(7) 0.0537(4) 0.101(5) Uiso 0.67 1 d PD F 1
H82A H 1.2033 0.9019 0.0550 0.121 Uiso 0.67 1 calc PR F 1
C83A C 1.2684(6) 0.8180(11) 0.0529(6) 0.158(8) Uiso 0.67 1 d PD F 1
H83A H 1.2851 0.8326 0.0248 0.237 Uiso 0.67 1 calc PR F 1
H83B H 1.2646 0.7678 0.0531 0.237 Uiso 0.67 1 calc PR F 1
H83C H 1.2989 0.8330 0.0803 0.237 Uiso 0.67 1 calc PR F 1
C84A C 1.1511(8) 0.8298(12) 0.0085(4) 0.178(9) Uiso 0.67 1 d PD F 1
H84A H 1.1699 0.8446 -0.0187 0.266 Uiso 0.67 1 calc PR F 1
H84B H 1.1081 0.8519 0.0084 0.266 Uiso 0.67 1 calc PR F 1
H84C H 1.1455 0.7798 0.0078 0.266 Uiso 0.67 1 calc PR F 1
C81B C 1.1359(9) 0.8159(10) 0.0860(6) 0.047(5) Uiso 0.33 1 d PD F 2
H81C H 1.0872 0.8180 0.0828 0.056 Uiso 0.33 1 calc PR F 2
H81D H 1.1538 0.8526 0.1078 0.056 Uiso 0.33 1 calc PR F 2
C82B C 1.1560(9) 0.8322(11) 0.0375(7) 0.097(9) Uiso 0.33 1 d PD F 2
H82B H 1.1445 0.7913 0.0171 0.116 Uiso 0.33 1 calc PR F 2
C83B C 1.2320(8) 0.8439(14) 0.0417(8) 0.079(7) Uiso 0.33 1 d PD F 2
H83D H 1.2439 0.8502 0.0108 0.118 Uiso 0.33 1 calc PR F 2
H83E H 1.2554 0.8038 0.0566 0.118 Uiso 0.33 1 calc PR F 2
H83F H 1.2444 0.8848 0.0606 0.118 Uiso 0.33 1 calc PR F 2
C84B C 1.1166(12) 0.8948(15) 0.0142(9) 0.125(12) Uiso 0.33 1 d PD F 2
H84D H 1.1277 0.9018 -0.0170 0.188 Uiso 0.33 1 calc PR F 2
H84E H 1.1281 0.9360 0.0330 0.188 Uiso 0.33 1 calc PR F 2
H84F H 1.0692 0.8859 0.0119 0.188 Uiso 0.33 1 calc PR F 2
O14 O 1.16706(18) 0.6366(2) 0.22668(14) 0.0402(9) Uani 1 1 d . . .
O15 O 1.1254(2) 0.7239(2) 0.15799(14) 0.0459(10) Uani 1 1 d . F .
O58 O 1.2405(2) 0.7049(2) 0.12698(16) 0.0576(12) Uani 1 1 d . F .
O36 O 1.2081(2) 0.4714(2) 0.11676(15) 0.0498(11) Uani 1 1 d . . .
O27 O 1.0567(2) 0.5671(3) 0.07733(15) 0.0593(12) 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'
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 O1 79.14(15) 2_755 . ?
O1 Rh1 Rh1 45.93(10) 2_755 2_755 ?
O1 Rh1 Rh1 45.38(9) . 2_755 ?
C2 C1 C8 125.1(6) . . ?
C2 C1 H1A 117.4 . . ?
C8 C1 H1A 117.4 . . ?
C1 C2 C3 122.6(7) . . ?
C1 C2 H2A 118.7 . . ?
C3 C2 H2A 118.7 . . ?
C4 C3 C2 113.2(6) . . ?
C4 C3 H3A 108.9 . . ?
C2 C3 H3A 108.9 . . ?
C4 C3 H3B 108.9 . . ?
C2 C3 H3B 108.9 . . ?
H3A C3 H3B 107.7 . . ?
C3 C4 C5 114.2(6) . . ?
C3 C4 H4A 108.7 . . ?
C5 C4 H4A 108.7 . . ?
C3 C4 H4B 108.7 . . ?
C5 C4 H4B 108.7 . . ?
H4A C4 H4B 107.6 . . ?
C6 C5 C4 125.4(6) . . ?
C6 C5 H5A 117.3 . . ?
C4 C5 H5A 117.3 . . ?
C5 C6 C7 124.1(6) . . ?
C5 C6 H6A 118.0 . . ?
C7 C6 H6A 118.0 . . ?
C8 C7 C6 113.8(6) . . ?
C8 C7 H7A 108.8 . . ?
C6 C7 H7A 108.8 . . ?
C8 C7 H7B 108.8 . . ?
C6 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
C7 C8 C1 116.3(6) . . ?
C7 C8 H8A 108.2 . . ?
C1 C8 H8A 108.2 . . ?
C7 C8 H8B 108.2 . . ?
C1 C8 H8B 108.2 . . ?
H8A C8 H8B 107.4 . . ?
Si1 O1 Rh1 143.8(2) . 2_755 ?
Si1 O1 Rh1 127.5(2) . . ?
Rh1 O1 Rh1 88.69(13) 2_755 . ?
O1 Si1 O12 110.3(2) . . ?
O1 Si1 O15 110.5(2) . . ?
O12 Si1 O15 108.0(2) . . ?
O1 Si1 O14 112.5(2) . . ?
O12 Si1 O14 108.1(2) . . ?
O15 Si1 O14 107.3(2) . . ?
Si2 O12 Si1 161.4(3) . . ?
O12 Si2 O27 109.0(2) . . ?
O12 Si2 O23 108.3(2) . . ?
O27 Si2 O23 109.0(2) . . ?
O12 Si2 C21 112.8(3) . . ?
O27 Si2 C21 106.5(3) . . ?
O23 Si2 C21 111.0(3) . . ?
C22 C21 Si2 119.6(5) . . ?
C22 C21 H21A 107.4 . . ?
Si2 C21 H21A 107.4 . . ?
C22 C21 H21B 107.4 . . ?
Si2 C21 H21B 107.4 . . ?
H21A C21 H21B 106.9 . . ?
C21 C22 C23 111.4(6) . . ?
C21 C22 C24 109.6(7) . . ?
C23 C22 C24 110.4(6) . . ?
C21 C22 H22A 108.4 . . ?
C23 C22 H22A 108.4 . . ?
C24 C22 H22A 108.4 . . ?
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 . . ?
Si2 O23 Si3 141.3(3) . . ?
O36 Si3 O34 109.7(2) . . ?
O36 Si3 O23 108.2(2) . . ?
O34 Si3 O23 108.7(2) . . ?
O36 Si3 C31 110.1(3) . . ?
O34 Si3 C31 109.0(3) . . ?
O23 Si3 C31 111.1(3) . . ?
C32 C31 Si3 119.1(4) . . ?
C32 C31 H31A 107.5 . . ?
Si3 C31 H31A 107.5 . . ?
C32 C31 H31B 107.5 . . ?
Si3 C31 H31B 107.5 . . ?
H31A C31 H31B 107.0 . . ?
C34A C32 C31 119.7(6) . . ?
C34A C32 C33 115.0(6) . . ?
C31 C32 C33 113.3(6) . . ?
C31 C32 C34B 107.2(6) . . ?
C33 C32 C34B 106.2(6) . . ?
C34A C32 H32A 101.7 . . ?
C31 C32 H32A 101.7 . . ?
C33 C32 H32A 101.7 . . ?
C34B C32 H32A 126.8 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34A H34A 109.5 . . ?
C32 C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C32 C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
C32 C34B H34D 109.5 . . ?
C32 C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C32 C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
Si4 O34 Si3 154.5(3) . . ?
O14 Si4 O34 108.8(2) . . ?
O14 Si4 O45 109.8(2) . . ?
O34 Si4 O45 108.4(2) . . ?
O14 Si4 C41 107.6(2) . . ?
O34 Si4 C41 111.9(3) . . ?
O45 Si4 C41 110.4(3) . . ?
C42 C41 Si4 119.4(5) . . ?
C42 C41 H41A 107.5 . . ?
Si4 C41 H41A 107.5 . . ?
C42 C41 H41B 107.5 . . ?
Si4 C41 H41B 107.5 . . ?
H41A C41 H41B 107.0 . . ?
C44 C42 C43 110.7(8) . . ?
C44 C42 C41 113.8(7) . . ?
C43 C42 C41 107.8(6) . . ?
C44 C42 H42A 108.1 . . ?
C43 C42 H42A 108.1 . . ?
C41 C42 H42A 108.1 . . ?
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 . . ?
Si5 O45 Si4 146.5(3) . . ?
O58 Si5 O45 109.4(2) . . ?
O58 Si5 O56 109.0(3) . . ?
O45 Si5 O56 109.1(3) . . ?
O58 Si5 C51 109.3(3) . . ?
O45 Si5 C51 110.2(3) . . ?
O56 Si5 C51 109.8(3) . . ?
C52 C51 Si5 117.6(5) . . ?
C52 C51 H51A 107.9 . . ?
Si5 C51 H51A 107.9 . . ?
C52 C51 H51B 107.9 . . ?
Si5 C51 H51B 107.9 . . ?
H51A C51 H51B 107.2 . . ?
C51 C52 C53 117.7(9) . . ?
C51 C52 C54 112.3(7) . . ?
C53 C52 C54 108.9(7) . . ?
C51 C52 H52A 105.7 . . ?
C53 C52 H52A 105.7 . . ?
C54 C52 H52A 105.7 . . ?
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 . . ?
Si6 O56 Si5 149.6(3) . . ?
O67 Si6 O36 108.5(2) . . ?
O67 Si6 O56 108.7(3) . . ?
O36 Si6 O56 109.1(3) . . ?
O67 Si6 C61 110.2(3) . . ?
O36 Si6 C61 110.4(3) . . ?
O56 Si6 C61 109.8(3) . . ?
C62 C61 Si6 120.2(5) . . ?
C62 C61 H61A 107.3 . . ?
Si6 C61 H61A 107.3 . . ?
C62 C61 H61B 107.3 . . ?
Si6 C61 H61B 107.3 . . ?
H61A C61 H61B 106.9 . . ?
C61 C62 C64A 114.8(8) . . ?
C61 C62 C64B 115.5(8) . . ?
C61 C62 C63 107.9(7) . . ?
C64A C62 C63 107.2(7) . . ?
C64B C62 C63 107.7(8) . . ?
C61 C62 H62A 109.1 . . ?
C64A C62 H62A 108.4 . . ?
C63 C62 H62A 109.4 . . ?
C61 C62 H62B 108.9 . . ?
C64B C62 H62B 109.2 . . ?
C63 C62 H62B 107.4 . . ?
H62A C62 H62B 114.0 . . ?
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 C64A H64A 109.5 . . ?
C62 C64A H64B 109.5 . . ?
H64A C64A H64B 109.5 . . ?
C62 C64A H64C 109.4 . . ?
H64A C64A H64C 109.5 . . ?
H64B C64A H64C 109.5 . . ?
H64A C64A H62B 108.5 . . ?
H64B C64A H62B 120.1 . . ?
H64C C64A H62B 99.2 . . ?
C62 C64B H64D 109.1 . . ?
C62 C64B H64E 109.3 . . ?
H64D C64B H64E 109.5 . . ?
C62 C64B H64F 110.0 . . ?
H64D C64B H64F 109.5 . . ?
H64E C64B H64F 109.5 . . ?
Si6 O67 Si7 146.8(3) . . ?
O78 Si7 O27 108.9(2) . . ?
O78 Si7 O67 109.8(3) . . ?
O27 Si7 O67 108.0(3) . . ?
O78 Si7 C71 109.3(3) . . ?
O27 Si7 C71 110.8(3) . . ?
O67 Si7 C71 110.0(3) . . ?
C72 C71 Si7 121.4(5) . . ?
C72 C71 H71A 107.0 . . ?
Si7 C71 H71A 107.0 . . ?
C72 C71 H71B 107.0 . . ?
Si7 C71 H71B 107.0 . . ?
H71A C71 H71B 106.7 . . ?
C71 C72 C74B 124.4(9) . . ?
C71 C72 C74A 116.3(8) . . ?
C71 C72 C73 111.4(8) . . ?
C74B C72 C73 116.7(13) . . ?
C74A C72 C73 111.2(12) . . ?
C71 C72 H72A 105.6 . . ?
C74A C72 H72A 105.6 . . ?
C73 C72 H72A 105.6 . . ?
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 C74A H74A 109.5 . . ?
C72 C74A H74B 109.5 . . ?
H74A C74A H74B 109.5 . . ?
C72 C74A H74C 109.5 . . ?
H74A C74A H74C 109.5 . . ?
H74B C74A H74C 109.5 . . ?
C72 C74B H74D 109.5 . . ?
C72 C74B H74E 109.5 . . ?
H74D C74B H74E 109.5 . . ?
C72 C74B H74F 109.5 . . ?
H74D C74B H74F 109.5 . . ?
H74E C74B H74F 109.5 . . ?
Si7 O78 Si8 153.2(3) . . ?
O58 Si8 O78 108.3(2) . . ?
O58 Si8 O15 108.6(2) . . ?
O78 Si8 O15 109.3(2) . . ?
O58 Si8 C81B 126.7(6) . . ?
O78 Si8 C81B 97.8(7) . . ?
O15 Si8 C81B 104.9(5) . . ?
O58 Si8 C81A 105.0(4) . . ?
O78 Si8 C81A 116.4(4) . . ?
O15 Si8 C81A 108.9(3) . . ?
C82A C81A Si8 122.6(7) . . ?
C82A C81A H81A 106.7 . . ?
Si8 C81A H81A 106.7 . . ?
C82A C81A H81B 106.7 . . ?
Si8 C81A H81B 106.7 . . ?
H81A C81A H81B 106.6 . . ?
C83A C82A C84A 109.4(8) . . ?
C83A C82A C81A 109.6(8) . . ?
C84A C82A C81A 110.1(8) . . ?
C83A C82A H82A 109.2 . . ?
C84A C82A H82A 109.2 . . ?
C81A C82A H82A 109.2 . . ?
C82A C83A H83A 109.5 . . ?
C82A C83A H83B 109.5 . . ?
H83A C83A H83B 109.5 . . ?
C82A C83A H83C 109.5 . . ?
H83A C83A H83C 109.5 . . ?
H83B C83A H83C 109.5 . . ?
C82A C84A H84A 109.5 . . ?
C82A C84A H84B 109.5 . . ?
H84A C84A H84B 109.5 . . ?
C82A C84A H84C 109.5 . . ?
H84A C84A H84C 109.5 . . ?
H84B C84A H84C 109.5 . . ?
C82B C81B Si8 116.4(12) . . ?
C82B C81B H81C 108.2 . . ?
Si8 C81B H81C 108.2 . . ?
C82B C81B H81D 108.2 . . ?
Si8 C81B H81D 108.2 . . ?
H81C C81B H81D 107.3 . . ?
C84B C82B C83B 111.4(10) . . ?
C84B C82B C81B 111.1(10) . . ?
C83B C82B C81B 110.9(10) . . ?
C84B C82B H82B 107.7 . . ?
C83B C82B H82B 107.7 . . ?
C81B C82B H82B 107.7 . . ?
C82B C83B H83D 109.5 . . ?
C82B C83B H83E 109.5 . . ?
H83D C83B H83E 109.5 . . ?
C82B C83B H83F 109.5 . . ?
H83D C83B H83F 109.5 . . ?
H83E C83B H83F 109.5 . . ?
C82B C84B H84D 109.5 . . ?
C82B C84B H84E 109.5 . . ?
H84D C84B H84E 109.5 . . ?
C82B C84B H84F 109.5 . . ?
H84D C84B H84F 109.5 . . ?
H84E C84B H84F 109.5 . . ?
Si4 O14 Si1 146.1(3) . . ?
Si1 O15 Si8 145.0(3) . . ?
Si5 O58 Si8 151.1(3) . . ?
Si6 O36 Si3 152.4(3) . . ?
Si2 O27 Si7 147.2(3) . . ?
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 2.091(3) 2_755 ?
Rh1 O1 2.111(3) . ?
Rh1 Rh1 2.9373(10) 2_755 ?
C1 C2 1.394(9) . ?
C1 C8 1.509(10) . ?
C1 H1A 0.9300 . ?
C2 C3 1.518(9) . ?
C2 H2A 0.9300 . ?
C3 C4 1.488(9) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.491(8) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.404(9) . ?
C5 H5A 0.9300 . ?
C6 C7 1.542(9) . ?
C6 H6A 0.9300 . ?
C7 C8 1.433(10) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
O1 Si1 1.590(4) . ?
O1 Rh1 2.091(3) 2_755 ?
Si1 O12 1.612(4) . ?
Si1 O15 1.618(4) . ?
Si1 O14 1.622(4) . ?
O12 Si2 1.598(4) . ?
Si2 O27 1.613(5) . ?
Si2 O23 1.617(4) . ?
Si2 C21 1.836(6) . ?
C21 C22 1.481(10) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.507(9) . ?
C22 C24 1.548(10) . ?
C22 H22A 0.9800 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
O23 Si3 1.627(4) . ?
Si3 O36 1.615(4) . ?
Si3 O34 1.616(4) . ?
Si3 C31 1.840(6) . ?
C31 C32 1.495(9) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C34A 1.491(7) . ?
C32 C33 1.525(8) . ?
C32 C34B 1.589(8) . ?
C32 H32A 0.9800 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34A H34A 0.9600 . ?
C34A H34B 0.9600 . ?
C34A H34C 0.9600 . ?
C34B H34D 0.9600 . ?
C34B H34E 0.9600 . ?
C34B H34F 0.9600 . ?
O34 Si4 1.614(4) . ?
Si4 O14 1.613(4) . ?
Si4 O45 1.625(4) . ?
Si4 C41 1.854(6) . ?
C41 C42 1.531(9) . ?
C41 H41A 0.9700 . ?
C41 H41B 0.9700 . ?
C42 C44 1.506(13) . ?
C42 C43 1.529(11) . ?
C42 H42A 0.9800 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
O45 Si5 1.619(4) . ?
Si5 O58 1.613(5) . ?
Si5 O56 1.626(5) . ?
Si5 C51 1.830(6) . ?
C51 C52 1.445(11) . ?
C51 H51A 0.9700 . ?
C51 H51B 0.9700 . ?
C52 C53 1.494(8) . ?
C52 C54 1.539(10) . ?
C52 H52A 0.9800 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 0.9600 . ?
O56 Si6 1.608(5) . ?
Si6 O67 1.594(5) . ?
Si6 O36 1.604(4) . ?
Si6 C61 1.840(6) . ?
C61 C62 1.484(10) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 C64A 1.511(8) . ?
C62 C64B 1.515(9) . ?
C62 C63 1.596(12) . ?
C62 H62A 0.9809 . ?
C62 H62B 0.9875 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64A H64A 0.9600 . ?
C64A H64B 0.9600 . ?
C64A H64C 0.9600 . ?
C64A H62B 0.5418 . ?
C64B H62A 0.5530 . ?
C64B H64D 0.9600 . ?
C64B H64E 0.9600 . ?
C64B H64F 0.9600 . ?
O67 Si7 1.636(5) . ?
Si7 O78 1.606(5) . ?
Si7 O27 1.623(5) . ?
Si7 C71 1.814(7) . ?
C71 C72 1.458(7) . ?
C71 H71A 0.9700 . ?
C71 H71B 0.9700 . ?
C72 C74B 1.478(9) . ?
C72 C74A 1.504(9) . ?
C72 C73 1.539(13) . ?
C72 H72A 0.9800 . ?
C73 H73A 0.9600 . ?
C73 H73B 0.9600 . ?
C73 H73C 0.9600 . ?
C74A H74A 0.9600 . ?
C74A H74B 0.9600 . ?
C74A H74C 0.9600 . ?
C74B H74D 0.9600 . ?
C74B H74E 0.9600 . ?
C74B H74F 0.9600 . ?
O78 Si8 1.616(5) . ?
Si8 O58 1.616(5) . ?
Si8 O15 1.618(4) . ?
Si8 C81B 1.832(17) . ?
Si8 C81A 1.841(10) . ?
C81A C82A 1.551(9) . ?
C81A H81A 0.9700 . ?
C81A H81B 0.9700 . ?
C82A C83A 1.533(9) . ?
C82A C84A 1.537(9) . ?
C82A H82A 0.9800 . ?
C83A H83A 0.9600 . ?
C83A H83B 0.9600 . ?
C83A H83C 0.9600 . ?
C84A H84A 0.9600 . ?
C84A H84B 0.9600 . ?
C84A H84C 0.9600 . ?
C81B C82B 1.534(10) . ?
C81B H81C 0.9700 . ?
C81B H81D 0.9700 . ?
C82B C84B 1.527(10) . ?
C82B C83B 1.528(10) . ?
C82B H82B 0.9800 . ?
C83B H83D 0.9600 . ?
C83B H83E 0.9600 . ?
C83B H83F 0.9600 . ?
C84B H84D 0.9600 . ?
C84B H84E 0.9600 . ?
C84B H84F 0.9600 . ?
