# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ishi33p
_database_code_depnum_ccdc_archive 'CCDC 2174530'
loop_
_audit_author_name
_audit_author_address
'Yusuke Ishizaka'
; National Institute of Advanced Industrial Science and Technology (AIST)
Japan
;
_audit_update_record             
;
2022-05-24 deposited with the CCDC.	2022-07-25 downloaded from the CCDC.
;
_audit_creation_date             2022-05-04
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2016/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H36 O11 Rh2 Si2'
_chemical_formula_sum            'C20 H36 O11 Rh2 Si2'
_chemical_formula_weight         714.49
_chemical_melting_point          ?
_chemical_oxdiff_formula         C20H36O11Si2Rh
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.3394(2)
_cell_length_b                   11.5662(2)
_cell_length_c                   14.9335(3)
_cell_angle_alpha                112.248(2)
_cell_angle_beta                 99.310(2)
_cell_angle_gamma                99.762(2)
_cell_volume                     1425.56(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    15798
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.3300
_cell_measurement_theta_min      2.8330
_shelx_estimated_absorpt_T_max   0.975
_shelx_estimated_absorpt_T_min   0.893
_exptl_absorpt_coefficient_mu    1.292
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77276
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.84a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             724
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.881
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            27825
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.881
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.164
_diffrn_reflns_theta_min         2.284
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     62.00  93.00   0.50   17.58    --    5.00  31.00 -64.35   62
  2  ω    -84.00  -2.00   0.50   17.58    --    5.00  31.00 -64.35  164
  3  ω    -87.00 -59.00   0.50   17.58    --   -8.00  28.00 120.00   56
  4  ω    -97.00 -69.00   0.50   17.58    --   -8.00  55.00-150.00   56
  5  ω    -35.00  81.00   0.50   17.58    --   -8.00  55.00-150.00  232
  6  ω    -35.00  70.00   0.50   17.58    --   -8.00  46.00  60.00  210
  7  ω    -12.00  28.00   0.50   17.58    --   -8.00  18.00-150.00   80
  8  ω    -87.00 -28.00   0.50   17.58    --   -8.00  18.00-150.00  118
  9  ω     38.00  78.00   0.50   17.58    --   -8.00  18.00-150.00   80
 10  ω    -34.00  50.00   0.50   17.58    --   -8.00  28.00 120.00  168
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0690610000
_diffrn_orient_matrix_UB_12      -0.0361397000
_diffrn_orient_matrix_UB_13      0.0004785000
_diffrn_orient_matrix_UB_21      0.0035273000
_diffrn_orient_matrix_UB_22      0.0480466000
_diffrn_orient_matrix_UB_23      0.0476552000
_diffrn_orient_matrix_UB_31      -0.0393091000
_diffrn_orient_matrix_UB_32      0.0327867000
_diffrn_orient_matrix_UB_33      -0.0231178000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Mo) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6392
_reflns_number_total             7440
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.50
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.40.84a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.290
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.768
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         7440
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0281
_refine_ls_restrained_S_all      0.768
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0962
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C00G(H00A,H00B,H00C), C00J(H00D,H00E,H00F), C00L(H00G,H00H,H00I), C00O(H00J,
 H00K,H00L), C00P(H00M,H00N,H00O), C00S(H00P,H00Q,H00R), C00T(H00S,H00T,H00U),
 C00V(H00V,H00W,H00X), C00W(H00Y,H,HA), C00X(H00Z,HB,HC), C00Y(H00,HD,HE),
 C00Z(H1,HF,HG)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.64595(2) 0.67295(2) 0.40673(2) 0.01235(6) Uani 1 1 d . . . . .
Rh02 Rh 0.62995(2) 0.41852(2) 0.51162(2) 0.01299(7) Uani 1 1 d . . . . .
Si03 Si 0.64953(7) 0.80463(6) 0.65589(4) 0.01132(12) Uani 1 1 d . . . . .
Si04 Si 0.64235(7) 0.59205(6) 0.74269(4) 0.01329(13) Uani 1 1 d . . . . .
O005 O 0.57909(19) 0.71406(16) 0.53757(12) 0.0143(3) Uani 1 1 d . . . . .
O006 O 0.53736(18) 0.89186(16) 0.70101(12) 0.0147(3) Uani 1 1 d . . . . .
O007 O 0.81406(17) 0.88897(15) 0.66826(11) 0.0153(3) Uani 1 1 d . . . . .
O008 O 0.55844(19) 0.46097(16) 0.64299(12) 0.0145(3) Uani 1 1 d . . . . .
O009 O 0.66145(18) 0.71809(15) 0.71891(11) 0.0150(3) Uani 1 1 d . . . . .
O00A O 0.54083(19) 0.60371(16) 0.82244(12) 0.0185(3) Uani 1 1 d . . . . .
O00B O 0.81336(19) 0.58986(16) 0.78425(12) 0.0182(3) Uani 1 1 d . . . . .
O00C O 0.9477(2) 0.8554(2) 0.48352(15) 0.0354(5) Uani 1 1 d . . . . .
O00D O 0.7371(2) 0.34705(19) 0.32543(14) 0.0251(4) Uani 1 1 d . . . . .
O00E O 0.9300(2) 0.60303(19) 0.58410(14) 0.0253(4) Uani 1 1 d . . . . .
O00F O 0.7224(2) 0.62579(19) 0.21240(13) 0.0292(4) Uani 1 1 d . . . . .
C00G C 0.5880(3) 1.0568(2) 0.6356(2) 0.0227(5) Uani 1 1 d . . . . .
H00A H 0.680919 1.099916 0.685665 0.034 Uiso 1 1 calc R U . . .
H00B H 0.546047 1.119178 0.620047 0.034 Uiso 1 1 calc R U . . .
H00C H 0.605836 0.995750 0.576488 0.034 Uiso 1 1 calc R U . . .
C00H C 0.8305(3) 0.7897(3) 0.45802(19) 0.0221(5) Uani 1 1 d . . . . .
C00I C 0.4785(3) 0.9861(2) 0.67487(17) 0.0172(5) Uani 1 1 d . . . . .
C00J C 1.0264(3) 1.0686(2) 0.73198(19) 0.0229(5) Uani 1 1 d . . . . .
H00D H 1.069904 1.025674 0.678563 0.034 Uiso 1 1 calc R U . . .
H00E H 1.104594 1.127391 0.789579 0.034 Uiso 1 1 calc R U . . .
H00F H 0.962372 1.115528 0.711538 0.034 Uiso 1 1 calc R U . . .
C00K C 0.9342(3) 0.9684(2) 0.75787(17) 0.0171(5) Uani 1 1 d . . . . .
C00L C 0.3303(3) 0.9177(2) 0.59644(19) 0.0210(5) Uani 1 1 d . . . . .
H00G H 0.347275 0.856515 0.536991 0.032 Uiso 1 1 calc R U . . .
H00H H 0.287791 0.979989 0.581168 0.032 Uiso 1 1 calc R U . . .
H00I H 0.262333 0.873306 0.621685 0.032 Uiso 1 1 calc R U . . .
C00M C 0.6890(3) 0.6378(2) 0.28537(18) 0.0184(5) Uani 1 1 d . . . . .
C00N C 0.6897(3) 0.3712(2) 0.39386(18) 0.0180(5) Uani 1 1 d . . . . .
C00O C 0.4536(3) 1.0796(3) 0.7712(2) 0.0265(6) Uani 1 1 d . . . . .
H00J H 0.385761 1.033440 0.795269 0.040 Uiso 1 1 calc R U . . .
H00K H 0.411764 1.144042 0.758783 0.040 Uiso 1 1 calc R U . . .
H00L H 0.547690 1.120589 0.820315 0.040 Uiso 1 1 calc R U . . .
C00P C 1.0283(3) 0.8824(3) 0.7796(2) 0.0254(5) Uani 1 1 d . . . . .
H00M H 0.968048 0.819561 0.794694 0.038 Uiso 1 1 calc R U . . .
H00N H 1.112135 0.934188 0.835572 0.038 Uiso 1 1 calc R U . . .
H00O H 1.063935 0.839027 0.722122 0.038 Uiso 1 1 calc R U . . .
C00Q C 0.8140(3) 0.5349(2) 0.56044(18) 0.0190(5) Uani 1 1 d . . . . .
C00R C 0.5515(3) 0.7090(2) 0.91758(17) 0.0242(5) Uani 1 1 d . . . . .
C00S C 0.8718(3) 1.0361(3) 0.84677(18) 0.0247(5) Uani 1 1 d . . . . .
H00P H 0.815066 1.091438 0.832078 0.037 Uiso 1 1 calc R U . . .
H00Q H 0.953122 1.086753 0.904712 0.037 Uiso 1 1 calc R U . . .
H00R H 0.807897 0.972721 0.859377 0.037 Uiso 1 1 calc R U . . .
C00T C 0.7615(3) 0.4218(3) 0.8455(2) 0.0304(6) Uani 1 1 d . . . . .
H00S H 0.736681 0.481073 0.902357 0.046 Uiso 1 1 calc R U . . .
H00T H 0.805014 0.361832 0.863663 0.046 Uiso 1 1 calc R U . . .
H00U H 0.672233 0.375478 0.792554 0.046 Uiso 1 1 calc R U . . .
C00U C 0.8736(3) 0.4963(2) 0.81043(19) 0.0241(5) Uani 1 1 d . . . . .
C00V C 0.4828(4) 0.6461(3) 0.9785(2) 0.0407(8) Uani 1 1 d . . . . .
H00V H 0.378904 0.604310 0.945982 0.061 Uiso 1 1 calc R U . . .
H00W H 0.491286 0.710774 1.043893 0.061 Uiso 1 1 calc R U . . .
H00X H 0.534701 0.583306 0.984160 0.061 Uiso 1 1 calc R U . . .
C00W C 0.9121(4) 0.4033(3) 0.7192(2) 0.0337(7) Uani 1 1 d . . . . .
H00Y H 0.822310 0.357118 0.666615 0.050 Uiso 1 1 calc R U . . .
H H 0.956525 0.343109 0.736400 0.050 Uiso 1 1 calc R U . . .
HA H 0.981594 0.450923 0.696986 0.050 Uiso 1 1 calc R U . . .
C00X C 0.7146(4) 0.7801(3) 0.9706(2) 0.0352(7) Uani 1 1 d . . . . .
H00Z H 0.766763 0.722352 0.985555 0.053 Uiso 1 1 calc R U . . .
HB H 0.719191 0.851839 1.031549 0.053 Uiso 1 1 calc R U . . .
HC H 0.760681 0.811049 0.928228 0.053 Uiso 1 1 calc R U . . .
C00Y C 1.0156(4) 0.5737(3) 0.8928(3) 0.0398(8) Uani 1 1 d . . . . .
H00 H 1.083997 0.619241 0.868500 0.060 Uiso 1 1 calc R U . . .
HD H 1.061586 0.516323 0.912874 0.060 Uiso 1 1 calc R U . . .
HE H 0.990936 0.634520 0.948909 0.060 Uiso 1 1 calc R U . . .
C00Z C 0.4650(4) 0.8005(3) 0.8993(2) 0.0340(7) Uani 1 1 d . . . . .
H1 H 0.509027 0.836718 0.858944 0.051 Uiso 1 1 calc R U . . .
HF H 0.468385 0.868498 0.962046 0.051 Uiso 1 1 calc R U . . .
HG H 0.362614 0.754272 0.865355 0.051 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh01 O005 2.0556(17) . ?
Rh01 O008 2.0645(17) 2_666 ?
Rh01 C00H 1.839(3) . ?
Rh01 C00M 1.829(3) . ?
Rh02 O005 2.0905(17) 2_666 ?
Rh02 O008 2.0837(17) . ?
Rh02 C00N 1.843(3) . ?
Rh02 C00Q 1.834(3) . ?
Si03 O005 1.6251(17) . ?
Si03 O006 1.6253(17) . ?
Si03 O007 1.6156(17) . ?
Si03 O009 1.6178(16) . ?
Si04 O008 1.6247(17) . ?
Si04 O009 1.6147(16) . ?
Si04 O00A 1.6195(18) . ?
Si04 O00B 1.6253(17) . ?
O005 Rh02 2.0905(17) 2_666 ?
O006 C00I 1.449(3) . ?
O007 C00K 1.459(3) . ?
O008 Rh01 2.0645(17) 2_666 ?
O00A C00R 1.454(3) . ?
O00B C00U 1.447(3) . ?
O00C C00H 1.134(3) . ?
O00D C00N 1.136(3) . ?
O00E C00Q 1.138(3) . ?
O00F C00M 1.146(3) . ?
C00G H00A 0.9600 . ?
C00G H00B 0.9600 . ?
C00G H00C 0.9600 . ?
C00G C00I 1.527(3) . ?
C00I C00L 1.522(3) . ?
C00I C00O 1.519(3) . ?
C00J H00D 0.9600 . ?
C00J H00E 0.9600 . ?
C00J H00F 0.9600 . ?
C00J C00K 1.530(3) . ?
C00K C00P 1.522(4) . ?
C00K C00S 1.528(3) . ?
C00L H00G 0.9600 . ?
C00L H00H 0.9600 . ?
C00L H00I 0.9600 . ?
C00O H00J 0.9600 . ?
C00O H00K 0.9600 . ?
C00O H00L 0.9600 . ?
C00P H00M 0.9600 . ?
C00P H00N 0.9600 . ?
C00P H00O 0.9600 . ?
C00R C00V 1.517(4) . ?
C00R C00X 1.521(4) . ?
C00R C00Z 1.512(4) . ?
C00S H00P 0.9600 . ?
C00S H00Q 0.9600 . ?
C00S H00R 0.9600 . ?
C00T H00S 0.9600 . ?
C00T H00T 0.9600 . ?
C00T H00U 0.9600 . ?
C00T C00U 1.526(4) . ?
C00U C00W 1.525(4) . ?
C00U C00Y 1.519(4) . ?
C00V H00V 0.9600 . ?
C00V H00W 0.9600 . ?
C00V H00X 0.9600 . ?
C00W H00Y 0.9600 . ?
C00W H 0.9600 . ?
C00W HA 0.9600 . ?
C00X H00Z 0.9600 . ?
C00X HB 0.9600 . ?
C00X HC 0.9600 . ?
C00Y H00 0.9600 . ?
C00Y HD 0.9600 . ?
C00Y HE 0.9600 . ?
C00Z H1 0.9600 . ?
C00Z HF 0.9600 . ?
C00Z HG 0.9600 . ?

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
O005 Rh01 O008 79.10(7) . 2_666 ?
C00H Rh01 O005 98.18(9) . . ?
C00H Rh01 O008 176.29(9) . 2_666 ?
C00M Rh01 O005 174.81(9) . . ?
C00M Rh01 O008 97.70(9) . 2_666 ?
C00M Rh01 C00H 85.19(11) . . ?
O008 Rh02 O005 77.88(7) . 2_666 ?
C00N Rh02 O005 99.82(9) . 2_666 ?
C00N Rh02 O008 176.75(9) . . ?
C00Q Rh02 O005 177.39(9) . 2_666 ?
C00Q Rh02 O008 99.78(9) . . ?
C00Q Rh02 C00N 82.47(11) . . ?
O005 Si03 O006 110.33(9) . . ?
O007 Si03 O005 107.57(9) . . ?
O007 Si03 O006 113.49(9) . . ?
O007 Si03 O009 110.23(9) . . ?
O009 Si03 O005 111.03(9) . . ?
O009 Si03 O006 104.22(9) . . ?
O008 Si04 O00B 110.50(9) . . ?
O009 Si04 O008 111.60(9) . . ?
O009 Si04 O00A 109.98(9) . . ?
O009 Si04 O00B 104.08(9) . . ?
O00A Si04 O008 107.20(9) . . ?
O00A Si04 O00B 113.55(9) . . ?
Rh01 O005 Rh02 101.53(7) . 2_666 ?
Si03 O005 Rh01 137.81(10) . . ?
Si03 O005 Rh02 120.37(9) . 2_666 ?
C00I O006 Si03 131.66(14) . . ?
C00K O007 Si03 130.10(14) . . ?
Rh01 O008 Rh02 101.47(7) 2_666 . ?
Si04 O008 Rh01 135.69(10) . 2_666 ?
Si04 O008 Rh02 121.28(10) . . ?
Si04 O009 Si03 159.42(11) . . ?
C00R O00A Si04 130.59(16) . . ?
C00U O00B Si04 131.69(16) . . ?
H00A C00G H00B 109.5 . . ?
H00A C00G H00C 109.5 . . ?
H00B C00G H00C 109.5 . . ?
C00I C00G H00A 109.5 . . ?
C00I C00G H00B 109.5 . . ?
C00I C00G H00C 109.5 . . ?
O00C C00H Rh01 174.6(2) . . ?
O006 C00I C00G 111.77(19) . . ?
O006 C00I C00L 108.85(18) . . ?
O006 C00I C00O 104.99(19) . . ?
C00L C00I C00G 110.1(2) . . ?
C00O C00I C00G 110.6(2) . . ?
C00O C00I C00L 110.5(2) . . ?
H00D C00J H00E 109.5 . . ?
H00D C00J H00F 109.5 . . ?
H00E C00J H00F 109.5 . . ?
C00K C00J H00D 109.5 . . ?
C00K C00J H00E 109.5 . . ?
C00K C00J H00F 109.5 . . ?
O007 C00K C00J 105.32(18) . . ?
O007 C00K C00P 108.38(18) . . ?
O007 C00K C00S 111.32(19) . . ?
C00P C00K C00J 110.8(2) . . ?
C00P C00K C00S 110.9(2) . . ?
C00S C00K C00J 109.9(2) . . ?
C00I C00L H00G 109.5 . . ?
C00I C00L H00H 109.5 . . ?
C00I C00L H00I 109.5 . . ?
H00G C00L H00H 109.5 . . ?
H00G C00L H00I 109.5 . . ?
H00H C00L H00I 109.5 . . ?
O00F C00M Rh01 174.5(2) . . ?
O00D C00N Rh02 174.9(2) . . ?
C00I C00O H00J 109.5 . . ?
C00I C00O H00K 109.5 . . ?
C00I C00O H00L 109.5 . . ?
H00J C00O H00K 109.5 . . ?
H00J C00O H00L 109.5 . . ?
H00K C00O H00L 109.5 . . ?
C00K C00P H00M 109.5 . . ?
C00K C00P H00N 109.5 . . ?
C00K C00P H00O 109.5 . . ?
H00M C00P H00N 109.5 . . ?
H00M C00P H00O 109.5 . . ?
H00N C00P H00O 109.5 . . ?
O00E C00Q Rh02 175.0(2) . . ?
O00A C00R C00V 105.6(2) . . ?
O00A C00R C00X 110.7(2) . . ?
O00A C00R C00Z 109.0(2) . . ?
C00V C00R C00X 109.9(2) . . ?
C00Z C00R C00V 111.3(3) . . ?
C00Z C00R C00X 110.3(2) . . ?
C00K C00S H00P 109.5 . . ?
C00K C00S H00Q 109.5 . . ?
C00K C00S H00R 109.5 . . ?
H00P C00S H00Q 109.5 . . ?
H00P C00S H00R 109.5 . . ?
H00Q C00S H00R 109.5 . . ?
H00S C00T H00T 109.5 . . ?
H00S C00T H00U 109.5 . . ?
H00T C00T H00U 109.5 . . ?
C00U C00T H00S 109.5 . . ?
C00U C00T H00T 109.5 . . ?
C00U C00T H00U 109.5 . . ?
O00B C00U C00T 111.2(2) . . ?
O00B C00U C00W 108.6(2) . . ?
O00B C00U C00Y 105.6(2) . . ?
C00W C00U C00T 109.9(2) . . ?
C00Y C00U C00T 111.4(2) . . ?
C00Y C00U C00W 110.0(3) . . ?
C00R C00V H00V 109.5 . . ?
C00R C00V H00W 109.5 . . ?
C00R C00V H00X 109.5 . . ?
H00V C00V H00W 109.5 . . ?
H00V C00V H00X 109.5 . . ?
H00W C00V H00X 109.5 . . ?
C00U C00W H00Y 109.5 . . ?
C00U C00W H 109.5 . . ?
C00U C00W HA 109.5 . . ?
H00Y C00W H 109.5 . . ?
H00Y C00W HA 109.5 . . ?
H C00W HA 109.5 . . ?
C00R C00X H00Z 109.5 . . ?
C00R C00X HB 109.5 . . ?
C00R C00X HC 109.5 . . ?
H00Z C00X HB 109.5 . . ?
H00Z C00X HC 109.5 . . ?
HB C00X HC 109.5 . . ?
C00U C00Y H00 109.5 . . ?
C00U C00Y HD 109.5 . . ?
C00U C00Y HE 109.5 . . ?
H00 C00Y HD 109.5 . . ?
H00 C00Y HE 109.5 . . ?
HD C00Y HE 109.5 . . ?
C00R C00Z H1 109.5 . . ?
C00R C00Z HF 109.5 . . ?
C00R C00Z HG 109.5 . . ?
H1 C00Z HF 109.5 . . ?
H1 C00Z HG 109.5 . . ?
HF C00Z HG 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si03 O006 C00I C00G -30.8(3) . . . . ?
Si03 O006 C00I C00L 90.9(2) . . . . ?
Si03 O006 C00I C00O -150.77(18) . . . . ?
Si03 O007 C00K C00J -154.67(17) . . . . ?
Si03 O007 C00K C00P 86.7(2) . . . . ?
Si03 O007 C00K C00S -35.6(3) . . . . ?
Si04 O00A C00R C00V -153.5(2) . . . . ?
Si04 O00A C00R C00X -34.6(3) . . . . ?
Si04 O00A C00R C00Z 86.9(3) . . . . ?
Si04 O00B C00U C00T -28.6(3) . . . . ?
Si04 O00B C00U C00W 92.5(3) . . . . ?
Si04 O00B C00U C00Y -149.5(2) . . . . ?
O005 Si03 O006 C00I -58.9(2) . . . . ?
O005 Si03 O007 C00K -168.50(18) . . . . ?
O005 Si03 O009 Si04 -5.5(4) . . . . ?
O006 Si03 O005 Rh01 128.63(14) . . . . ?
O006 Si03 O005 Rh02 -58.85(13) . . . 2_666 ?
O006 Si03 O007 C00K 69.2(2) . . . . ?
O006 Si03 O009 Si04 113.3(3) . . . . ?
O007 Si03 O005 Rh01 4.36(18) . . . . ?
O007 Si03 O005 Rh02 176.87(9) . . . 2_666 ?
O007 Si03 O006 C00I 61.9(2) . . . . ?
O007 Si03 O009 Si04 -124.6(3) . . . . ?
O008 Si04 O009 Si03 0.9(4) . . . . ?
O008 Si04 O00A C00R -170.8(2) . . . . ?
O008 Si04 O00B C00U -54.1(2) . . . . ?
O009 Si03 O005 Rh01 -116.34(15) . . . . ?
O009 Si03 O005 Rh02 56.18(13) . . . 2_666 ?
O009 Si03 O006 C00I -178.13(18) . . . . ?
O009 Si03 O007 C00K -47.3(2) . . . . ?
O009 Si04 O008 Rh01 -112.38(14) . . . 2_666 ?
O009 Si04 O008 Rh02 50.38(13) . . . . ?
O009 Si04 O00A C00R -49.3(2) . . . . ?
O009 Si04 O00B C00U -174.0(2) . . . . ?
O00A Si04 O008 Rh01 8.10(17) . . . 2_666 ?
O00A Si04 O008 Rh02 170.86(10) . . . . ?
O00A Si04 O009 Si03 -117.9(3) . . . . ?
O00A Si04 O00B C00U 66.4(2) . . . . ?
O00B Si04 O008 Rh01 132.31(14) . . . 2_666 ?
O00B Si04 O008 Rh02 -64.92(13) . . . . ?
O00B Si04 O009 Si03 120.1(3) . . . . ?
O00B Si04 O00A C00R 66.9(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.701
_oxdiff_exptl_absorpt_empirical_full_min 0.820
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ishi40p
_database_code_depnum_ccdc_archive 'CCDC 2174531'
loop_
_audit_author_name
_audit_author_address
'Yusuke Ishizaka'
; National Institute of Advanced Industrial Science and Technology (AIST)
Japan
;
_audit_update_record             
;
2022-05-24 deposited with the CCDC.	2022-07-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/3
_shelx_SHELXL_version_number     2016/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C14 H36 O3.50 P2 Rh Si'
_chemical_formula_weight         453.37

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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'I 2/a'
_space_group_name_Hall           '-I 2ya'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'x, -y+1/2, z+1/2'

_cell_length_a                   18.8299(3)
_cell_length_b                   11.5790(2)
_cell_length_c                   20.3542(4)
_cell_angle_alpha                90
_cell_angle_beta                 102.325(2)
_cell_angle_gamma                90
_cell_volume                     4335.57(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    16565
_cell_measurement_theta_min      3.4860
_cell_measurement_theta_max      30.2540

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_F_000             1896
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    1.000
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): quarter-chi single'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            18644
_diffrn_reflns_av_unetI/netI     0.0102
_diffrn_reflns_av_R_equivalents  0.0138
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.677
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_full        24.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             3819
_reflns_number_gt                3705
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/3 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0145P)²+6.3719P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         3819
_refine_ls_number_parameters     207
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0162
_refine_ls_R_factor_gt           0.0155
_refine_ls_wR_factor_ref         0.0384
_refine_ls_wR_factor_gt          0.0381
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.090
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
RH01 Rh 0.75008(2) 0.50348(2) 0.56905(2) 0.00868(4) Uani 1 1 d . . . . .
P2 P 0.66296(2) 0.58139(3) 0.60850(2) 0.01197(8) Uani 1 1 d . . . . .
P1 P 0.83691(2) 0.59140(3) 0.63812(2) 0.01425(9) Uani 1 1 d . . . . .
SI04 Si 0.67000(2) 0.28611(3) 0.48975(2) 0.00943(9) Uani 1 1 d . . . . .
O1 O 0.67709(5) 0.42384(8) 0.48543(5) 0.0100(2) Uani 1 1 d . . . . .
O2 O 0.750000 0.22334(12) 0.500000 0.0112(3) Uani 1 2 d S T P . .
O3 O 0.63360(5) 0.26005(9) 0.55426(5) 0.0133(2) Uani 1 1 d . . . . .
O4 O 0.61568(5) 0.23123(9) 0.42385(5) 0.0148(2) Uani 1 1 d . . . . .
C14 C 0.57387(8) 0.54927(14) 0.55678(8) 0.0192(3) Uani 1 1 d . . . . .
H14A H 0.564874 0.467757 0.557850 0.029 Uiso 1 1 calc R U . . .
H14B H 0.572384 0.572911 0.511296 0.029 Uiso 1 1 calc R U . . .
H14C H 0.537320 0.590190 0.573878 0.029 Uiso 1 1 calc R U . . .
C1 C 0.59268(8) 0.16617(13) 0.57370(8) 0.0152(3) Uani 1 1 d . . . . .
C5 C 0.62656(8) 0.17057(13) 0.36498(7) 0.0162(3) Uani 1 1 d . . . . .
C7 C 0.68327(9) 0.23096(14) 0.33384(8) 0.0187(3) Uani 1 1 d . . . . .
H7A H 0.668723 0.309503 0.323522 0.028 Uiso 1 1 calc R U . . .
H7B H 0.687474 0.191641 0.293323 0.028 Uiso 1 1 calc R U . . .
H7C H 0.729362 0.229819 0.365054 0.028 Uiso 1 1 calc R U . . .
C12 C 0.65782(9) 0.73916(14) 0.61264(8) 0.0205(3) Uani 1 1 d . . . . .
H12A H 0.658899 0.771356 0.569402 0.031 Uiso 1 1 calc R U . . .
H12B H 0.698458 0.767720 0.645401 0.031 Uiso 1 1 calc R U . . .
H12C H 0.613422 0.761065 0.625294 0.031 Uiso 1 1 calc R U . . .
C13 C 0.64847(9) 0.53981(16) 0.69142(8) 0.0237(4) Uani 1 1 d . . . . .
H13A H 0.605184 0.576288 0.699102 0.036 Uiso 1 1 calc R U . . .
H13B H 0.689366 0.563859 0.725395 0.036 Uiso 1 1 calc R U . . .
H13C H 0.643250 0.457464 0.693232 0.036 Uiso 1 1 calc R U . . .
C11 C 0.92519(9) 0.52072(15) 0.64790(9) 0.0229(4) Uani 1 1 d . . . . .
H11A H 0.962671 0.572340 0.669950 0.034 Uiso 1 1 calc R U . . .
H11B H 0.933556 0.500550 0.604436 0.034 Uiso 1 1 calc R U . . .
H11C H 0.925772 0.452077 0.674468 0.034 Uiso 1 1 calc R U . . .
C4 C 0.51768(8) 0.16180(15) 0.52717(9) 0.0224(4) Uani 1 1 d . . . . .
H4A H 0.494230 0.235362 0.527442 0.034 Uiso 1 1 calc R U . . .
H4B H 0.488961 0.103217 0.542471 0.034 Uiso 1 1 calc R U . . .
H4C H 0.522623 0.144074 0.482288 0.034 Uiso 1 1 calc R U . . .
C6 C 0.64938(10) 0.04682(14) 0.38429(8) 0.0225(4) Uani 1 1 d . . . . .
H6A H 0.694044 0.047238 0.417497 0.034 Uiso 1 1 calc R U . . .
H6B H 0.656268 0.005683 0.345172 0.034 Uiso 1 1 calc R U . . .
H6C H 0.612205 0.009533 0.402359 0.034 Uiso 1 1 calc R U . . .
C2 C 0.58588(10) 0.19414(15) 0.64533(8) 0.0256(4) Uani 1 1 d . . . . .
H2A H 0.633439 0.198078 0.673998 0.038 Uiso 1 1 calc R U . . .
H2B H 0.558127 0.134831 0.661235 0.038 Uiso 1 1 calc R U . . .
H2C H 0.561782 0.267094 0.645835 0.038 Uiso 1 1 calc R U . . .
C3 C 0.63269(9) 0.05236(14) 0.57268(9) 0.0221(3) Uani 1 1 d . . . . .
H3A H 0.639577 0.037731 0.528034 0.033 Uiso 1 1 calc R U . . .
H3B H 0.604619 -0.009034 0.586139 0.033 Uiso 1 1 calc R U . . .
H3C H 0.679137 0.056517 0.603221 0.033 Uiso 1 1 calc R U . . .
C8 C 0.55245(9) 0.17102(16) 0.31659(8) 0.0257(4) Uani 1 1 d . . . . .
H8A H 0.517298 0.134382 0.337589 0.039 Uiso 1 1 calc R U . . .
H8B H 0.555616 0.129729 0.276412 0.039 Uiso 1 1 calc R U . . .
H8C H 0.537826 0.249236 0.305328 0.039 Uiso 1 1 calc R U . . .
C9 C 0.83666(10) 0.6233(2) 0.72592(9) 0.0341(5) Uani 1 1 d . . . . .
H9A H 0.831154 0.552773 0.749148 0.051 Uiso 1 1 calc R U . . .
H9B H 0.797005 0.674229 0.728065 0.051 Uiso 1 1 calc R U . . .
H9C H 0.881696 0.659571 0.746707 0.051 Uiso 1 1 calc R U . . .
C10 C 0.85781(10) 0.73424(15) 0.60892(11) 0.0324(4) Uani 1 1 d . . . . .
H10A H 0.899444 0.765440 0.639350 0.049 Uiso 1 1 calc R U . . .
H10B H 0.816910 0.784505 0.607232 0.049 Uiso 1 1 calc R U . . .
H10C H 0.868032 0.727777 0.564831 0.049 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
RH01 O1 2.1471(9) 2_656 ?
RH01 O1 2.1534(9) . ?
RH01 P1 2.1691(4) . ?
RH01 P2 2.1707(4) . ?
RH01 RH01 2.8102(2) 2_656 ?
P2 C14 1.8185(16) . ?
P2 C13 1.8307(16) . ?
P2 C12 1.8323(16) . ?
P1 C11 1.8252(17) . ?
P1 C9 1.8257(17) . ?
P1 C10 1.8285(18) . ?
SI04 O1 1.6043(10) . ?
SI04 O4 1.6320(10) . ?
SI04 O3 1.6338(10) . ?
SI04 O2 1.6453(7) . ?
O1 RH01 2.1471(9) 2_656 ?
O2 SI04 1.6453(7) 2_656 ?
O3 C1 1.4360(17) . ?
O4 C5 1.4409(18) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C1 C3 1.520(2) . ?
C1 C4 1.524(2) . ?
C1 C2 1.525(2) . ?
C5 C7 1.523(2) . ?
C5 C6 1.523(2) . ?
C5 C8 1.527(2) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?

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 RH01 O1 77.18(4) 2_656 . ?
O1 RH01 P1 93.45(3) 2_656 . ?
O1 RH01 P1 168.20(3) . . ?
O1 RH01 P2 170.39(3) 2_656 . ?
O1 RH01 P2 93.73(3) . . ?
P1 RH01 P2 95.153(15) . . ?
O1 RH01 RH01 49.29(3) 2_656 2_656 ?
O1 RH01 RH01 49.10(3) . 2_656 ?
P1 RH01 RH01 119.210(12) . 2_656 ?
P2 RH01 RH01 122.038(11) . 2_656 ?
C14 P2 C13 100.33(8) . . ?
C14 P2 C12 100.33(8) . . ?
C13 P2 C12 101.54(8) . . ?
C14 P2 RH01 112.18(5) . . ?
C13 P2 RH01 120.32(6) . . ?
C12 P2 RH01 118.87(6) . . ?
C11 P1 C9 100.16(8) . . ?
C11 P1 C10 100.77(9) . . ?
C9 P1 C10 100.43(10) . . ?
C11 P1 RH01 113.78(6) . . ?
C9 P1 RH01 124.76(6) . . ?
C10 P1 RH01 113.49(6) . . ?
O1 SI04 O4 112.77(6) . . ?
O1 SI04 O3 106.37(5) . . ?
O4 SI04 O3 106.97(5) . . ?
O1 SI04 O2 111.18(6) . . ?
O4 SI04 O2 109.17(5) . . ?
O3 SI04 O2 110.26(5) . . ?
SI04 O1 RH01 121.67(5) . 2_656 ?
SI04 O1 RH01 115.40(5) . . ?
RH01 O1 RH01 81.61(3) 2_656 . ?
SI04 O2 SI04 127.57(9) 2_656 . ?
C1 O3 SI04 134.68(9) . . ?
C5 O4 SI04 134.26(9) . . ?
P2 C14 H14A 109.5 . . ?
P2 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
P2 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
O3 C1 C3 110.84(12) . . ?
O3 C1 C4 109.54(12) . . ?
C3 C1 C4 111.03(13) . . ?
O3 C1 C2 105.20(12) . . ?
C3 C1 C2 109.88(13) . . ?
C4 C1 C2 110.20(13) . . ?
O4 C5 C7 111.04(12) . . ?
O4 C5 C6 109.05(12) . . ?
C7 C5 C6 110.80(13) . . ?
O4 C5 C8 105.20(12) . . ?
C7 C5 C8 110.82(13) . . ?
C6 C5 C8 109.77(13) . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
P2 C12 H12A 109.5 . . ?
P2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
P2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
P2 C13 H13A 109.5 . . ?
P2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
P2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P1 C11 H11A 109.5 . . ?
P1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
P1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
P1 C9 H9A 109.5 . . ?
P1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
P1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
P1 C10 H10A 109.5 . . ?
P1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
P1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O4 SI04 O1 RH01 -82.45(7) . . . 2_656 ?
O3 SI04 O1 RH01 160.60(6) . . . 2_656 ?
O2 SI04 O1 RH01 40.55(7) . . . 2_656 ?
O4 SI04 O1 RH01 -178.36(5) . . . . ?
O3 SI04 O1 RH01 64.69(7) . . . . ?
O2 SI04 O1 RH01 -55.37(6) . . . . ?
O1 SI04 O2 SI04 4.07(4) . . . 2_656 ?
O4 SI04 O2 SI04 129.11(5) . . . 2_656 ?
O3 SI04 O2 SI04 -113.65(5) . . . 2_656 ?
O1 SI04 O3 C1 156.42(13) . . . . ?
O4 SI04 O3 C1 35.67(14) . . . . ?
O2 SI04 O3 C1 -82.93(14) . . . . ?
O1 SI04 O4 C5 102.30(14) . . . . ?
O3 SI04 O4 C5 -141.11(13) . . . . ?
O2 SI04 O4 C5 -21.81(15) . . . . ?
SI04 O3 C1 C3 53.53(18) . . . . ?
SI04 O3 C1 C4 -69.33(17) . . . . ?
SI04 O3 C1 C2 172.24(11) . . . . ?
SI04 O4 C5 C7 -46.59(19) . . . . ?
SI04 O4 C5 C6 75.78(17) . . . . ?
SI04 O4 C5 C8 -166.53(11) . . . . ?

_refine_diff_density_max         0.342
_refine_diff_density_min         -0.238
_refine_diff_density_rms         0.044

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_ishi50p_auto
_database_code_depnum_ccdc_archive 'CCDC 2174532'
loop_
_audit_author_name
_audit_author_address
'Yusuke Ishizaka'
; National Institute of Advanced Industrial Science and Technology (AIST)
Japan
;
_audit_update_record             
;
2022-05-24 deposited with the CCDC.	2022-07-25 downloaded from the CCDC.
;
_audit_creation_date             2021-06-18
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6272)
;
_shelx_SHELXL_version_number     2016/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C30 H66 O7 P2 Rh2 Si2'
_chemical_formula_sum            'C30 H66 O7 P2 Rh2 Si2'
_chemical_formula_weight         862.76
_chemical_melting_point          ?
_chemical_oxdiff_formula         C30H66Si2O7P2Rh2
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'
Si Si 0.0817 0.0704 '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'
Rh Rh -1.1178 0.9187 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   20.3842(4)
_cell_length_b                   11.6384(2)
_cell_length_c                   17.9317(4)
_cell_angle_alpha                90
_cell_angle_beta                 108.738(2)
_cell_angle_gamma                90
_cell_volume                     4028.63(15)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    36358
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.5800
_cell_measurement_theta_min      2.2560
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.996
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.88884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.104a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1800
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.908
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            89146
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.908
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.471
_diffrn_reflns_theta_min         2.191
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -88.00  80.00   0.50    0.80    --    1.10  28.00 -90.00  336
  2  ω      9.00  90.00   0.50    0.80    --    1.10  37.00  30.00  162
  3  ω    -84.00  -3.00   0.50    0.80    --    1.10  46.00   0.00  162
  4  ω    -72.00 -46.00   0.50    0.80    --    1.10  37.00  30.00   52
  5  ω    -58.00 -32.00   0.50    0.80    --   -1.40  46.00 -60.00   52
  6  ω     17.00  47.00   0.50    0.80    --   -1.40  46.00 -60.00   60
  7  ω    -91.00  88.00   0.50    0.80    --   -1.40  40.00 113.92  358
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): quarter-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0014842000
_diffrn_orient_matrix_UB_12      0.0484713000
_diffrn_orient_matrix_UB_13      0.0244939000
_diffrn_orient_matrix_UB_21      -0.0367265000
_diffrn_orient_matrix_UB_22      0.0020776000
_diffrn_orient_matrix_UB_23      -0.0125274000
_diffrn_orient_matrix_UB_31      -0.0000960000
_diffrn_orient_matrix_UB_32      -0.0368655000
_diffrn_orient_matrix_UB_33      0.0314252000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type              'Rigaku (Mo) X-ray DW Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9113
_reflns_number_total             10164
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.104a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         2.287
_refine_diff_density_min         -1.085
_refine_diff_density_rms         0.071
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         10164
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0251
_refine_ls_restrained_S_all      0.924
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1081
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C00E(H00E), C00H(H00H), C00I(H00I), C00O(H00O)
2.b Secondary CH2 refined with riding coordinates:
 C00M(H00J,H00K), C00N(H00L,H00M), C00R(H00U,H00V), C00X(H3,HH)
2.c Idealised Me refined as rotating group:
 C00J(H00A,H00B,H00C), C00K(H00D,H00F,H00G), C00P(H00N,H00P,H00Q), C00Q(H00R,
 H00S,H00T), C00S(H00W,H00X,H00Y), C00T(H00Z,H,HA), C00U(H00,HB,HC), C00V(H1,HD,
 HE), C00W(H2,HF,HG), C00Y(H4,HI,HJ), C00Z(H5,HK,HL), C011(H01A,H01B,H01C),
 C012(H01D,H01E,H01F), C013(H01G,H01H,H01I), C014(H01J,H01K,H01L), C015(H01M,
 H01N,H01O), C016(H01P,H01Q,H01R), C017(H01S,H01T,H01U)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh01 Rh 0.32261(2) 0.75839(2) 0.51242(2) 0.01287(6) Uani 1 1 d . . . . .
Rh02 Rh 0.19489(2) 0.74985(2) 0.53218(2) 0.01354(6) Uani 1 1 d . . . . .
Si03 Si 0.29315(2) 0.54068(4) 0.61090(2) 0.01419(10) Uani 1 1 d . . . . .
Si04 Si 0.22684(2) 0.53495(4) 0.43789(2) 0.01226(10) Uani 1 1 d . . . . .
P005 P 0.09946(2) 0.81262(4) 0.44822(3) 0.02074(10) Uani 1 1 d . . . . .
P006 P 0.18368(2) 0.84095(4) 0.63381(3) 0.02032(10) Uani 1 1 d . . . . .
O007 O 0.25384(6) 0.47936(10) 0.52633(6) 0.0171(2) Uani 1 1 d . . . . .
O008 O 0.29295(6) 0.67829(10) 0.60146(6) 0.0163(2) Uani 1 1 d . . . . .
O009 O 0.23221(5) 0.67270(10) 0.44264(6) 0.0140(2) Uani 1 1 d . . . . .
O00A O 0.26872(6) 0.47768(11) 0.38397(7) 0.0193(2) Uani 1 1 d . . . . .
O00B O 0.14505(6) 0.50523(10) 0.39564(7) 0.0174(2) Uani 1 1 d . . . . .
O00C O 0.37168(6) 0.49139(12) 0.63634(7) 0.0257(3) Uani 1 1 d . . . . .
O00D O 0.25723(6) 0.50339(11) 0.67627(7) 0.0219(3) Uani 1 1 d . . . . .
C00E C 0.38265(9) 0.88322(15) 0.58790(10) 0.0220(3) Uani 1 1 d . . . . .
H00E H 0.373231 0.890666 0.637946 0.026 Uiso 1 1 calc R U . . .
C00F C 0.33529(8) 0.42072(15) 0.40156(11) 0.0226(4) Uani 1 1 d . . . . .
C00G C 0.10780(8) 0.40181(14) 0.36494(10) 0.0189(3) Uani 1 1 d . . . . .
C00H C 0.31404(9) 0.88274(15) 0.42715(10) 0.0215(3) Uani 1 1 d . . . . .
H00H H 0.270704 0.878972 0.382968 0.026 Uiso 1 1 calc R U . . .
C00I C 0.42371(8) 0.78791(17) 0.58422(10) 0.0226(3) Uani 1 1 d . . . . .
H00I H 0.437905 0.741361 0.632308 0.027 Uiso 1 1 calc R U . . .
C00J C 0.20711(10) 0.31384(15) 0.65097(11) 0.0271(4) Uani 1 1 d . . . . .
H00A H 0.166343 0.269830 0.647211 0.041 Uiso 1 1 calc R U . . .
H00B H 0.246142 0.281255 0.690786 0.041 Uiso 1 1 calc R U . . .
H00C H 0.215421 0.312503 0.601222 0.041 Uiso 1 1 calc R U . . .
C00K C 0.11628(10) 0.37191(16) 0.28596(11) 0.0266(4) Uani 1 1 d . . . . .
H00D H 0.099266 0.434105 0.249727 0.040 Uiso 1 1 calc R U . . .
H00F H 0.090517 0.303432 0.265539 0.040 Uiso 1 1 calc R U . . .
H00G H 0.164402 0.359337 0.292783 0.040 Uiso 1 1 calc R U . . .
C00L C 0.19672(9) 0.43717(15) 0.67262(10) 0.0216(3) Uani 1 1 d . . . . .
C00M C 0.32976(10) 1.00011(16) 0.46426(13) 0.0302(4) Uani 1 1 d . . . . .
H00J H 0.287355 1.033365 0.468189 0.036 Uiso 1 1 calc R U . . .
H00K H 0.346208 1.049321 0.430362 0.036 Uiso 1 1 calc R U . . .
C00N C 0.38446(10) 0.99723(16) 0.54681(12) 0.0285(4) Uani 1 1 d . . . . .
H00L H 0.430126 1.008462 0.542121 0.034 Uiso 1 1 calc R U . . .
H00M H 0.375789 1.059559 0.578322 0.034 Uiso 1 1 calc R U . . .
C00O C 0.36387(9) 0.80279(15) 0.42260(10) 0.0217(3) Uani 1 1 d . . . . .
H00O H 0.349012 0.752761 0.376228 0.026 Uiso 1 1 calc R U . . .
C00P C 0.39302(9) 0.49539(16) 0.45175(11) 0.0228(3) Uani 1 1 d . . . . .
H00N H 0.394166 0.566104 0.424640 0.034 Uiso 1 1 calc R U . . .
H00P H 0.436415 0.456070 0.461843 0.034 Uiso 1 1 calc R U . . .
H00Q H 0.385282 0.511556 0.500757 0.034 Uiso 1 1 calc R U . . .
C00Q C 0.13266(11) 0.30163(17) 0.42257(12) 0.0316(4) Uani 1 1 d . . . . .
H00R H 0.180647 0.286601 0.429964 0.047 Uiso 1 1 calc R U . . .
H00S H 0.105797 0.234365 0.401637 0.047 Uiso 1 1 calc R U . . .
H00T H 0.127117 0.321160 0.472215 0.047 Uiso 1 1 calc R U . . .
C00R C 0.47429(9) 0.78522(19) 0.53825(12) 0.0285(4) Uani 1 1 d . . . . .
H00U H 0.491210 0.707373 0.537987 0.034 Uiso 1 1 calc R U . . .
H00V H 0.513643 0.833798 0.564360 0.034 Uiso 1 1 calc R U . . .
C00S C 0.13301(9) 0.48946(17) 0.61267(13) 0.0300(4) Uani 1 1 d . . . . .
H00W H 0.137942 0.486120 0.561245 0.045 Uiso 1 1 calc R U . . .
H00X H 0.128321 0.568090 0.626328 0.045 Uiso 1 1 calc R U . . .
H00Y H 0.092566 0.447154 0.612626 0.045 Uiso 1 1 calc R U . . .
C00T C 0.20437(11) 0.99422(16) 0.63774(12) 0.0303(4) Uani 1 1 d . . . . .
H00Z H 0.247933 1.004835 0.628752 0.046 Uiso 1 1 calc R U . . .
H H 0.207354 1.024108 0.688622 0.046 Uiso 1 1 calc R U . . .
HA H 0.168690 1.034160 0.597900 0.046 Uiso 1 1 calc R U . . .
C00U C 0.01829(12) 0.7480(2) 0.45068(17) 0.0390(6) Uani 1 1 d . . . . .
H00 H 0.021569 0.665831 0.448574 0.059 Uiso 1 1 calc R U . . .
HB H -0.019210 0.774400 0.406287 0.059 Uiso 1 1 calc R U . . .
HC H 0.009945 0.769812 0.498476 0.059 Uiso 1 1 calc R U . . .
C00V C 0.09390(10) 0.7820(2) 0.34655(11) 0.0297(4) Uani 1 1 d . . . . .
H1 H 0.129423 0.823697 0.333608 0.044 Uiso 1 1 calc R U . . .
HD H 0.049297 0.805129 0.311931 0.044 Uiso 1 1 calc R U . . .
HE H 0.100042 0.701139 0.340634 0.044 Uiso 1 1 calc R U . . .
C00W C 0.34458(10) 0.4003(2) 0.32222(13) 0.0437(6) Uani 1 1 d . . . . .
H2 H 0.308079 0.351563 0.290996 0.066 Uiso 1 1 calc R U . . .
HF H 0.388492 0.363989 0.329544 0.066 Uiso 1 1 calc R U . . .
HG H 0.343083 0.472480 0.295780 0.066 Uiso 1 1 calc R U . . .
C00X C 0.44147(9) 0.82626(18) 0.45299(12) 0.0289(4) Uani 1 1 d . . . . .
H3 H 0.449464 0.908075 0.450211 0.035 Uiso 1 1 calc R U . . .
HH H 0.463555 0.787319 0.419554 0.035 Uiso 1 1 calc R U . . .
C00Y C 0.07772(12) 0.96535(18) 0.44220(15) 0.0421(5) Uani 1 1 d . . . . .
H4 H 0.067640 0.988170 0.488802 0.063 Uiso 1 1 calc R U . . .
HI H 0.037912 0.978939 0.396810 0.063 Uiso 1 1 calc R U . . .
HJ H 0.116201 1.009215 0.437806 0.063 Uiso 1 1 calc R U . . .
C00Z C 0.33287(11) 0.30755(18) 0.4430(2) 0.0519(7) Uani 1 1 d . . . . .
H5 H 0.324772 0.322356 0.491944 0.078 Uiso 1 1 calc R U . . .
HK H 0.376204 0.268096 0.452956 0.078 Uiso 1 1 calc R U . . .
HL H 0.296103 0.260753 0.410116 0.078 Uiso 1 1 calc R U . . .
C010 C 0.42389(9) 0.46016(19) 0.70699(11) 0.0301(4) Uani 1 1 d . . . . .
C011 C 0.19105(13) 0.4428(2) 0.75504(13) 0.0386(5) Uani 1 1 d . . . . .
H01A H 0.151887 0.398447 0.756845 0.058 Uiso 1 1 calc R U . . .
H01B H 0.185202 0.521283 0.768149 0.058 Uiso 1 1 calc R U . . .
H01C H 0.232485 0.412264 0.792159 0.058 Uiso 1 1 calc R U . . .
C012 C 0.03229(9) 0.42814(18) 0.35548(12) 0.0312(4) Uani 1 1 d . . . . .
H01D H 0.028432 0.450599 0.405416 0.047 Uiso 1 1 calc R U . . .
H01E H 0.004647 0.360870 0.336765 0.047 Uiso 1 1 calc R U . . .
H01F H 0.016250 0.489518 0.318306 0.047 Uiso 1 1 calc R U . . .
C013 C 0.10185(11) 0.84237(18) 0.65525(13) 0.0347(4) Uani 1 1 d . . . . .
H01G H 0.067656 0.883593 0.614555 0.052 Uiso 1 1 calc R U . . .
H01H H 0.108493 0.879364 0.704985 0.052 Uiso 1 1 calc R U . . .
H01I H 0.086416 0.764889 0.657453 0.052 Uiso 1 1 calc R U . . .
C014 C 0.24368(11) 0.79167(19) 0.72729(11) 0.0317(4) Uani 1 1 d . . . . .
H01J H 0.236809 0.711060 0.733396 0.048 Uiso 1 1 calc R U . . .
H01K H 0.235457 0.833251 0.769664 0.048 Uiso 1 1 calc R U . . .
H01L H 0.290397 0.804717 0.728065 0.048 Uiso 1 1 calc R U . . .
C015 C 0.49138(10) 0.4586(2) 0.68858(14) 0.0430(6) Uani 1 1 d . . . . .
H01M H 0.488455 0.403063 0.648048 0.065 Uiso 1 1 calc R U . . .
H01N H 0.528625 0.438431 0.735147 0.065 Uiso 1 1 calc R U . . .
H01O H 0.499825 0.533298 0.670865 0.065 Uiso 1 1 calc R U . . .
C016 C 0.40864(14) 0.3474(3) 0.7367(2) 0.0670(10) Uani 1 1 d . . . . .
H01P H 0.368017 0.354116 0.752411 0.101 Uiso 1 1 calc R U . . .
H01Q H 0.447228 0.324414 0.781039 0.101 Uiso 1 1 calc R U . . .
H01R H 0.400813 0.290940 0.695719 0.101 Uiso 1 1 calc R U . . .
C017 C 0.42841(14) 0.5556(3) 0.76849(15) 0.0631(8) Uani 1 1 d . . . . .
H01S H 0.441264 0.626781 0.749958 0.095 Uiso 1 1 calc R U . . .
H01T H 0.462582 0.535040 0.817500 0.095 Uiso 1 1 calc R U . . .
H01U H 0.384174 0.564162 0.776166 0.095 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Rh01 Rh02 2.73981(19) . ?
Rh01 O008 2.0986(11) . ?
Rh01 O009 2.1153(11) . ?
Rh01 C00E 2.0919(16) . ?
Rh01 C00H 2.0715(16) . ?
Rh01 C00I 2.0780(16) . ?
Rh01 C00O 2.1068(17) . ?
Rh02 P005 2.1685(4) . ?
Rh02 P006 2.1830(4) . ?
Rh02 O008 2.1535(11) . ?
Rh02 O009 2.1788(11) . ?
Si03 O007 1.6342(11) . ?
Si03 O008 1.6104(12) . ?
Si03 O00C 1.6217(13) . ?
Si03 O00D 1.6279(12) . ?
Si04 O007 1.6357(11) . ?
Si04 O009 1.6073(12) . ?
Si04 O00A 1.6243(12) . ?
Si04 O00B 1.6314(11) . ?
P005 C00U 1.831(2) . ?
P005 C00V 1.825(2) . ?
P005 C00Y 1.827(2) . ?
P006 C00T 1.8292(19) . ?
P006 C013 1.828(2) . ?
P006 C014 1.821(2) . ?
O00A C00F 1.4508(19) . ?
O00B C00G 1.4351(19) . ?
O00C C010 1.415(2) . ?
O00D C00L 1.4378(19) . ?
C00E H00E 0.9800 . ?
C00E C00I 1.404(3) . ?
C00E C00N 1.524(3) . ?
C00F C00P 1.507(2) . ?
C00F C00W 1.513(3) . ?
C00F C00Z 1.520(3) . ?
C00G C00K 1.521(2) . ?
C00G C00Q 1.532(3) . ?
C00G C012 1.525(2) . ?
C00H H00H 0.9800 . ?
C00H C00M 1.508(3) . ?
C00H C00O 1.399(3) . ?
C00I H00I 0.9800 . ?
C00I C00R 1.513(3) . ?
C00J H00A 0.9600 . ?
C00J H00B 0.9600 . ?
C00J H00C 0.9600 . ?
C00J C00L 1.519(3) . ?
C00K H00D 0.9600 . ?
C00K H00F 0.9600 . ?
C00K H00G 0.9600 . ?
C00L C00S 1.522(3) . ?
C00L C011 1.520(3) . ?
C00M H00J 0.9700 . ?
C00M H00K 0.9700 . ?
C00M C00N 1.541(3) . ?
C00N H00L 0.9700 . ?
C00N H00M 0.9700 . ?
C00O H00O 0.9800 . ?
C00O C00X 1.523(2) . ?
C00P H00N 0.9600 . ?
C00P H00P 0.9600 . ?
C00P H00Q 0.9600 . ?
C00Q H00R 0.9600 . ?
C00Q H00S 0.9600 . ?
C00Q H00T 0.9600 . ?
C00R H00U 0.9700 . ?
C00R H00V 0.9700 . ?
C00R C00X 1.535(3) . ?
C00S H00W 0.9600 . ?
C00S H00X 0.9600 . ?
C00S H00Y 0.9600 . ?
C00T H00Z 0.9600 . ?
C00T H 0.9600 . ?
C00T HA 0.9600 . ?
C00U H00 0.9600 . ?
C00U HB 0.9600 . ?
C00U HC 0.9600 . ?
C00V H1 0.9600 . ?
C00V HD 0.9600 . ?
C00V HE 0.9600 . ?
C00W H2 0.9600 . ?
C00W HF 0.9600 . ?
C00W HG 0.9600 . ?
C00X H3 0.9700 . ?
C00X HH 0.9700 . ?
C00Y H4 0.9600 . ?
C00Y HI 0.9600 . ?
C00Y HJ 0.9600 . ?
C00Z H5 0.9600 . ?
C00Z HK 0.9600 . ?
C00Z HL 0.9600 . ?
C010 C015 1.514(3) . ?
C010 C016 1.486(3) . ?
C010 C017 1.547(4) . ?
C011 H01A 0.9600 . ?
C011 H01B 0.9600 . ?
C011 H01C 0.9600 . ?
C012 H01D 0.9600 . ?
C012 H01E 0.9600 . ?
C012 H01F 0.9600 . ?
C013 H01G 0.9600 . ?
C013 H01H 0.9600 . ?
C013 H01I 0.9600 . ?
C014 H01J 0.9600 . ?
C014 H01K 0.9600 . ?
C014 H01L 0.9600 . ?
C015 H01M 0.9600 . ?
C015 H01N 0.9600 . ?
C015 H01O 0.9600 . ?
C016 H01P 0.9600 . ?
C016 H01Q 0.9600 . ?
C016 H01R 0.9600 . ?
C017 H01S 0.9600 . ?
C017 H01T 0.9600 . ?
C017 H01U 0.9600 . ?

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
O008 Rh01 Rh02 50.77(3) . . ?
O008 Rh01 O009 80.30(4) . . ?
O008 Rh01 C00O 166.88(6) . . ?
O009 Rh01 Rh02 51.39(3) . . ?
C00E Rh01 Rh02 108.92(5) . . ?
C00E Rh01 O008 93.89(6) . . ?
C00E Rh01 O009 158.05(6) . . ?
C00E Rh01 C00O 91.72(7) . . ?
C00H Rh01 Rh02 105.22(5) . . ?
C00H Rh01 O008 153.55(6) . . ?
C00H Rh01 O009 92.40(6) . . ?
C00H Rh01 C00E 83.42(7) . . ?
C00H Rh01 C00I 99.99(7) . . ?
C00H Rh01 C00O 39.11(7) . . ?
C00I Rh01 Rh02 136.08(5) . . ?
C00I Rh01 O008 94.17(6) . . ?
C00I Rh01 O009 161.19(6) . . ?
C00I Rh01 C00E 39.34(7) . . ?
C00I Rh01 C00O 82.71(7) . . ?
C00O Rh01 Rh02 137.48(5) . . ?
C00O Rh01 O009 98.59(6) . . ?
P005 Rh02 Rh01 125.154(13) . . ?
P005 Rh02 P006 96.018(18) . . ?
P005 Rh02 O009 94.30(3) . . ?
P006 Rh02 Rh01 116.682(13) . . ?
O008 Rh02 Rh01 49.01(3) . . ?
O008 Rh02 P005 171.97(3) . . ?
O008 Rh02 P006 91.89(3) . . ?
O008 Rh02 O009 77.68(4) . . ?
O009 Rh02 Rh01 49.34(3) . . ?
O009 Rh02 P006 166.00(3) . . ?
O008 Si03 O007 110.66(6) . . ?
O008 Si03 O00C 110.50(7) . . ?
O008 Si03 O00D 110.75(7) . . ?
O00C Si03 O007 104.60(7) . . ?
O00C Si03 O00D 109.56(7) . . ?
O00D Si03 O007 110.60(6) . . ?
O009 Si04 O007 110.31(6) . . ?
O009 Si04 O00A 113.64(6) . . ?
O009 Si04 O00B 106.15(6) . . ?
O00A Si04 O007 109.71(6) . . ?
O00A Si04 O00B 106.90(6) . . ?
O00B Si04 O007 109.99(6) . . ?
C00U P005 Rh02 117.45(9) . . ?
C00V P005 Rh02 112.44(6) . . ?
C00V P005 C00U 100.21(11) . . ?
C00V P005 C00Y 101.23(11) . . ?
C00Y P005 Rh02 121.02(8) . . ?
C00Y P005 C00U 101.39(11) . . ?
C00T P006 Rh02 114.90(7) . . ?
C013 P006 Rh02 121.81(7) . . ?
C013 P006 C00T 101.41(10) . . ?
C014 P006 Rh02 113.32(7) . . ?
C014 P006 C00T 101.15(10) . . ?
C014 P006 C013 101.40(10) . . ?
Si03 O007 Si04 129.71(8) . . ?
Rh01 O008 Rh02 80.22(4) . . ?
Si03 O008 Rh01 122.02(7) . . ?
Si03 O008 Rh02 114.57(6) . . ?
Rh01 O009 Rh02 79.28(4) . . ?
Si04 O009 Rh01 122.22(6) . . ?
Si04 O009 Rh02 114.59(6) . . ?
C00F O00A Si04 133.77(11) . . ?
C00G O00B Si04 133.77(11) . . ?
C010 O00C Si03 137.14(12) . . ?
C00L O00D Si03 133.45(11) . . ?
Rh01 C00E H00E 114.1 . . ?
C00I C00E Rh01 69.79(10) . . ?
C00I C00E H00E 114.1 . . ?
C00I C00E C00N 123.91(16) . . ?
C00N C00E Rh01 113.07(12) . . ?
C00N C00E H00E 114.1 . . ?
O00A C00F C00P 111.28(13) . . ?
O00A C00F C00W 104.96(15) . . ?
O00A C00F C00Z 109.10(14) . . ?
C00P C00F C00W 110.02(15) . . ?
C00P C00F C00Z 110.46(18) . . ?
C00W C00F C00Z 110.89(19) . . ?
O00B C00G C00K 110.16(13) . . ?
O00B C00G C00Q 111.09(14) . . ?
O00B C00G C012 105.37(14) . . ?
C00K C00G C00Q 110.00(15) . . ?
C00K C00G C012 110.79(15) . . ?
C012 C00G C00Q 109.35(15) . . ?
Rh01 C00H H00H 113.9 . . ?
C00M C00H Rh01 110.59(12) . . ?
C00M C00H H00H 113.9 . . ?
C00O C00H Rh01 71.81(10) . . ?
C00O C00H H00H 113.9 . . ?
C00O C00H C00M 124.95(16) . . ?
Rh01 C00I H00I 114.1 . . ?
C00E C00I Rh01 70.86(9) . . ?
C00E C00I H00I 114.1 . . ?
C00E C00I C00R 124.25(17) . . ?
C00R C00I Rh01 111.88(12) . . ?
C00R C00I H00I 114.1 . . ?
H00A C00J H00B 109.5 . . ?
H00A C00J H00C 109.5 . . ?
H00B C00J H00C 109.5 . . ?
C00L C00J H00A 109.5 . . ?
C00L C00J H00B 109.5 . . ?
C00L C00J H00C 109.5 . . ?
C00G C00K H00D 109.5 . . ?
C00G C00K H00F 109.5 . . ?
C00G C00K H00G 109.5 . . ?
H00D C00K H00F 109.5 . . ?
H00D C00K H00G 109.5 . . ?
H00F C00K H00G 109.5 . . ?
O00D C00L C00J 109.27(14) . . ?
O00D C00L C00S 110.05(14) . . ?
O00D C00L C011 105.34(14) . . ?
C00J C00L C00S 110.77(15) . . ?
C00J C00L C011 110.46(16) . . ?
C011 C00L C00S 110.81(17) . . ?
C00H C00M H00J 109.0 . . ?
C00H C00M H00K 109.0 . . ?
C00H C00M C00N 112.93(15) . . ?
H00J C00M H00K 107.8 . . ?
C00N C00M H00J 109.0 . . ?
C00N C00M H00K 109.0 . . ?
C00E C00N C00M 111.15(14) . . ?
C00E C00N H00L 109.4 . . ?
C00E C00N H00M 109.4 . . ?
C00M C00N H00L 109.4 . . ?
C00M C00N H00M 109.4 . . ?
H00L C00N H00M 108.0 . . ?
Rh01 C00O H00O 114.4 . . ?
C00H C00O Rh01 69.08(10) . . ?
C00H C00O H00O 114.4 . . ?
C00H C00O C00X 123.36(16) . . ?
C00X C00O Rh01 113.22(12) . . ?
C00X C00O H00O 114.4 . . ?
C00F C00P H00N 109.5 . . ?
C00F C00P H00P 109.5 . . ?
C00F C00P H00Q 109.5 . . ?
H00N C00P H00P 109.5 . . ?
H00N C00P H00Q 109.5 . . ?
H00P C00P H00Q 109.5 . . ?
C00G C00Q H00R 109.5 . . ?
C00G C00Q H00S 109.5 . . ?
C00G C00Q H00T 109.5 . . ?
H00R C00Q H00S 109.5 . . ?
H00R C00Q H00T 109.5 . . ?
H00S C00Q H00T 109.5 . . ?
C00I C00R H00U 109.1 . . ?
C00I C00R H00V 109.1 . . ?
C00I C00R C00X 112.39(15) . . ?
H00U C00R H00V 107.9 . . ?
C00X C00R H00U 109.1 . . ?
C00X C00R H00V 109.1 . . ?
C00L C00S H00W 109.5 . . ?
C00L C00S H00X 109.5 . . ?
C00L C00S H00Y 109.5 . . ?
H00W C00S H00X 109.5 . . ?
H00W C00S H00Y 109.5 . . ?
H00X C00S H00Y 109.5 . . ?
P006 C00T H00Z 109.5 . . ?
P006 C00T H 109.5 . . ?
P006 C00T HA 109.5 . . ?
H00Z C00T H 109.5 . . ?
H00Z C00T HA 109.5 . . ?
H C00T HA 109.5 . . ?
P005 C00U H00 109.5 . . ?
P005 C00U HB 109.5 . . ?
P005 C00U HC 109.5 . . ?
H00 C00U HB 109.5 . . ?
H00 C00U HC 109.5 . . ?
HB C00U HC 109.5 . . ?
P005 C00V H1 109.5 . . ?
P005 C00V HD 109.5 . . ?
P005 C00V HE 109.5 . . ?
H1 C00V HD 109.5 . . ?
H1 C00V HE 109.5 . . ?
HD C00V HE 109.5 . . ?
C00F C00W H2 109.5 . . ?
C00F C00W HF 109.5 . . ?
C00F C00W HG 109.5 . . ?
H2 C00W HF 109.5 . . ?
H2 C00W HG 109.5 . . ?
HF C00W HG 109.5 . . ?
C00O C00X C00R 111.77(15) . . ?
C00O C00X H3 109.3 . . ?
C00O C00X HH 109.3 . . ?
C00R C00X H3 109.3 . . ?
C00R C00X HH 109.3 . . ?
H3 C00X HH 107.9 . . ?
P005 C00Y H4 109.5 . . ?
P005 C00Y HI 109.5 . . ?
P005 C00Y HJ 109.5 . . ?
H4 C00Y HI 109.5 . . ?
H4 C00Y HJ 109.5 . . ?
HI C00Y HJ 109.5 . . ?
C00F C00Z H5 109.5 . . ?
C00F C00Z HK 109.5 . . ?
C00F C00Z HL 109.5 . . ?
H5 C00Z HK 109.5 . . ?
H5 C00Z HL 109.5 . . ?
HK C00Z HL 109.5 . . ?
O00C C010 C015 106.41(15) . . ?
O00C C010 C016 111.33(19) . . ?
O00C C010 C017 108.00(18) . . ?
C015 C010 C017 108.3(2) . . ?
C016 C010 C015 112.1(2) . . ?
C016 C010 C017 110.5(2) . . ?
C00L C011 H01A 109.5 . . ?
C00L C011 H01B 109.5 . . ?
C00L C011 H01C 109.5 . . ?
H01A C011 H01B 109.5 . . ?
H01A C011 H01C 109.5 . . ?
H01B C011 H01C 109.5 . . ?
C00G C012 H01D 109.5 . . ?
C00G C012 H01E 109.5 . . ?
C00G C012 H01F 109.5 . . ?
H01D C012 H01E 109.5 . . ?
H01D C012 H01F 109.5 . . ?
H01E C012 H01F 109.5 . . ?
P006 C013 H01G 109.5 . . ?
P006 C013 H01H 109.5 . . ?
P006 C013 H01I 109.5 . . ?
H01G C013 H01H 109.5 . . ?
H01G C013 H01I 109.5 . . ?
H01H C013 H01I 109.5 . . ?
P006 C014 H01J 109.5 . . ?
P006 C014 H01K 109.5 . . ?
P006 C014 H01L 109.5 . . ?
H01J C014 H01K 109.5 . . ?
H01J C014 H01L 109.5 . . ?
H01K C014 H01L 109.5 . . ?
C010 C015 H01M 109.5 . . ?
C010 C015 H01N 109.5 . . ?
C010 C015 H01O 109.5 . . ?
H01M C015 H01N 109.5 . . ?
H01M C015 H01O 109.5 . . ?
H01N C015 H01O 109.5 . . ?
C010 C016 H01P 109.5 . . ?
C010 C016 H01Q 109.5 . . ?
C010 C016 H01R 109.5 . . ?
H01P C016 H01Q 109.5 . . ?
H01P C016 H01R 109.5 . . ?
H01Q C016 H01R 109.5 . . ?
C010 C017 H01S 109.5 . . ?
C010 C017 H01T 109.5 . . ?
C010 C017 H01U 109.5 . . ?
H01S C017 H01T 109.5 . . ?
H01S C017 H01U 109.5 . . ?
H01T C017 H01U 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh01 C00E C00I C00R 103.94(17) . . . . ?
Rh01 C00E C00N C00M 11.7(2) . . . . ?
Rh01 C00H C00M C00N 32.8(2) . . . . ?
Rh01 C00H C00O C00X -104.69(16) . . . . ?
Rh01 C00I C00R C00X 30.9(2) . . . . ?
Rh01 C00O C00X C00R 13.3(2) . . . . ?
Si03 O00C C010 C015 -161.68(17) . . . . ?
Si03 O00C C010 C016 75.9(3) . . . . ?
Si03 O00C C010 C017 -45.6(3) . . . . ?
Si03 O00D C00L C00J 64.9(2) . . . . ?
Si03 O00D C00L C00S -57.0(2) . . . . ?
Si03 O00D C00L C011 -176.45(15) . . . . ?
Si04 O00A C00F C00P -55.2(2) . . . . ?
Si04 O00A C00F C00W -174.15(14) . . . . ?
Si04 O00A C00F C00Z 67.0(2) . . . . ?
Si04 O00B C00G C00K -76.16(19) . . . . ?
Si04 O00B C00G C00Q 46.0(2) . . . . ?
Si04 O00B C00G C012 164.30(13) . . . . ?
O007 Si03 O008 Rh01 -48.68(9) . . . . ?
O007 Si03 O008 Rh02 45.09(8) . . . . ?
O007 Si03 O00C C010 -144.70(19) . . . . ?
O007 Si03 O00D C00L -5.75(18) . . . . ?
O007 Si04 O009 Rh01 48.10(8) . . . . ?
O007 Si04 O009 Rh02 -44.57(8) . . . . ?
O007 Si04 O00A C00F -23.23(17) . . . . ?
O007 Si04 O00B C00G -70.68(16) . . . . ?
O008 Si03 O007 Si04 9.73(11) . . . . ?
O008 Si03 O00C C010 96.2(2) . . . . ?
O008 Si03 O00D C00L 117.30(16) . . . . ?
O009 Si04 O007 Si03 -9.60(11) . . . . ?
O009 Si04 O00A C00F 100.78(15) . . . . ?
O009 Si04 O00B C00G 169.99(14) . . . . ?
O00A Si04 O007 Si03 116.33(10) . . . . ?
O00A Si04 O009 Rh01 -75.59(8) . . . . ?
O00A Si04 O009 Rh02 -168.25(6) . . . . ?
O00A Si04 O00B C00G 48.37(16) . . . . ?
O00B Si04 O007 Si03 -126.36(9) . . . . ?
O00B Si04 O009 Rh01 167.21(6) . . . . ?
O00B Si04 O009 Rh02 74.55(7) . . . . ?
O00B Si04 O00A C00F -142.46(15) . . . . ?
O00C Si03 O007 Si04 -109.28(10) . . . . ?
O00C Si03 O008 Rh01 66.71(9) . . . . ?
O00C Si03 O008 Rh02 160.47(6) . . . . ?
O00C Si03 O00D C00L -120.55(16) . . . . ?
O00D Si03 O007 Si04 132.84(9) . . . . ?
O00D Si03 O008 Rh01 -171.70(6) . . . . ?
O00D Si03 O008 Rh02 -77.93(8) . . . . ?
O00D Si03 O00C C010 -26.1(2) . . . . ?
C00E C00I C00R C00X -50.2(2) . . . . ?
C00H C00M C00N C00E -29.1(2) . . . . ?
C00H C00O C00X C00R 92.7(2) . . . . ?
C00I C00E C00N C00M 92.2(2) . . . . ?
C00I C00R C00X C00O -28.6(2) . . . . ?
C00M C00H C00O Rh01 102.82(17) . . . . ?
C00M C00H C00O C00X -1.9(3) . . . . ?
C00N C00E C00I Rh01 -104.82(16) . . . . ?
C00N C00E C00I C00R -0.9(3) . . . . ?
C00O C00H C00M C00N -48.9(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.307
_oxdiff_exptl_absorpt_empirical_full_min 0.814
