# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_exp_4891
_database_code_depnum_ccdc_archive 'CCDC 1919533'
loop_
_audit_author_name
_audit_author_address
'Pascal Jurt'
;ETH Zurich
Switzerland
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-07-08 downloaded from the CCDC.
;
_audit_creation_date             2019-05-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'C37 H37 Cl2 P Rh2 Si2, 1.5(C H2 Cl2), C0.5 Cl, C0.55 H0.72 Cl1'
_chemical_formula_sum            'C39.55 H40.72 Cl7 P Rh2 Si2'
_chemical_formula_weight         1057.19
_chemical_melting_point          ?
_chemical_oxdiff_formula         C60H60Rh4P2Si2Cl4
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'
Cl Cl 0.1484 0.1585 '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'
Si Si 0.0817 0.0704 '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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   14.3566(4)
_cell_length_b                   13.3287(3)
_cell_length_c                   23.2251(7)
_cell_angle_alpha                90
_cell_angle_beta                 99.837(2)
_cell_angle_gamma                90
_cell_volume                     4378.9(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    40301
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.7600
_cell_measurement_theta_min      3.0980
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.300
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.68234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.23a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.604
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2120
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0508
_diffrn_reflns_av_unetI/netI     0.0312
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            113012
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.033
_diffrn_reflns_theta_min         2.880
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100
_diffrn_detector                 'Oxford Diffraction Sapphire 3'
_diffrn_detector_area_resol_mean 8.26
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -39.00  48.00   1.00   26.24    --  -20.71  57.00   0.00   87
  2  ω    -25.00  20.00   1.00   26.24    --  -20.71 -99.00 150.00   45
  3  ω     -7.00  90.00   1.00   26.24    --   21.18  77.00  90.00   97
  4  ω    -49.00  43.00   1.00   26.24    --   21.18 -38.00-180.00   92
  5  ω    -48.00  50.00   1.00   26.24    --   21.18 -77.00-120.00   98
  6  ω     -1.00  92.00   1.00   26.24    --   21.18  38.00-180.00   93
  7  ω    -25.00  62.00   1.00   26.24    --   21.18 -99.00 -30.00   87
  8  ω    -71.00   9.00   1.00   26.24    --  -20.71 118.00  27.00   80
  9  ω    -25.00  20.00   1.00   26.24    --  -20.71 -99.00 -30.00   45
 10  ω      3.00  90.00   1.00   26.24    --   21.18  57.00-120.00   87
 11  ω    -47.00  40.00   1.00   26.24    --   21.18 -57.00 150.00   87
 12  ω     34.00  95.00   1.00   26.24    --   21.18 179.00-180.00   61
 13  ω     -1.00  92.00   1.00   26.24    --   21.18  38.00 -30.00   93
 14  ω      3.00  52.00   1.00   26.24    --   21.18  57.00  30.00   49
;
_diffrn_measurement_device       'kappa-stage diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0006147000
_diffrn_orient_matrix_UB_12      0.0124400000
_diffrn_orient_matrix_UB_13      0.0296242000
_diffrn_orient_matrix_UB_21      -0.0092928000
_diffrn_orient_matrix_UB_22      0.0508020000
_diffrn_orient_matrix_UB_23      -0.0080759000
_diffrn_orient_matrix_UB_31      -0.0492762000
_diffrn_orient_matrix_UB_32      -0.0097869000
_diffrn_orient_matrix_UB_33      -0.0042495000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  'focusing graphite'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11579
_reflns_number_total             12695
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     28.22
_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       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.005
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.235
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         12695
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.235
_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)+(0.0165P)²+6.4992P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0746
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: C9(0.5)
 Fixed Uiso: H00M(0.031) H00O(0.023) H00R(0.024) H00T(0.027) H00U(0.033)
 H00V(0.028) H00W(0.029) H00X(0.022) H00Y(0.032) H00Z(0.03) H010(0.032)
 H011(0.038) H012(0.037) H01A(0.054) H01B(0.054) H01C(0.054) H014(0.038)
 H01D(0.059) H01E(0.059) H01F(0.059) H01G(0.059) H01H(0.059) H01I(0.059)
 H017(0.042) H018(0.051) H01J(0.076) H01K(0.076) H01L(0.076) H01M(0.048)
 H01N(0.073) H01O(0.073) H01P(0.073) H01Q(0.076) H01R(0.076) H01S(0.076)
 H01V(0.073) H01W(0.073) H01T(0.055) H01U(0.065) H01X(0.066) H01Y(0.066)
 H01Z(0.106) H(0.106)
 Fixed X: H00M(0.728119) H00O(0.904739) H00R(0.755543) H00T(0.867894)
 H00U(0.509362) H00V(0.959845) H00W(0.825793) H00X(0.819546) H00Y(1.064445)
 H00Z(1.035179) H010(0.885544) H011(0.682924) H012(0.69949) H01A(0.532644)
 H01B(0.597669) H01C(0.623284) H014(0.408199) H01D(0.911837) H01E(0.935705)
 H01F(0.948839) H01G(0.647567) H01H(0.73279) H01I(0.71847) H017(0.441701)
 H018(0.770902) H01J(0.818608) H01K(0.787275) H01L(0.825849) H01M(0.578254)
 H01N(0.822292) H01O(0.80359) H01P(0.718404) H01Q(0.647144) H01R(0.606124)
 H01S(0.547858) H01V(0.35179) H01W(0.34498) H01T(0.738064) H01U(0.773122)
 H01X(0.523336) H01Y(0.620728) H01Z(0.63555) H(0.524882)
 Fixed Y: H00M(0.271625) H00O(0.414259) H00R(0.777573) H00T(0.573477)
 H00U(0.317158) H00V(0.353104) H00W(0.847821) H00X(0.428605) H00Y(0.294087)
 H00Z(0.321859) H010(0.745144) H011(0.51317) H012(0.238247) H01A(0.837988)
 H01B(0.923951) H01C(0.811515) H014(0.323675) H01D(0.39635) H01E(0.465767)
 H01F(0.505707) H01G(0.452529) H01H(0.440159) H01I(0.363135) H017(0.428141)
 H018(0.10486) H01J(0.856611) H01K(0.966294) H01L(0.895324) H01M(0.522895)
 H01N(0.684569) H01O(0.651191) H01P(0.669243) H01Q(0.923509) H01R(0.996868)
 H01S(0.902468) H01V(0.755033) H01W(0.693219) H01T(0.070216) H01U(0.003824)
 H01X(0.772089) H01Y(0.72929) H01Z(0.712482) H(0.721908)
 Fixed Z: H00M(0.477005) H00O(0.568822) H00R(0.432557) H00T(0.298655)
 H00U(0.328757) H00V(0.381532) H00W(0.359111) H00X(0.338723) H00Y(0.460548)
 H00Z(0.554551) H010(0.293871) H011(0.269532) H012(0.303133) H01A(0.608465)
 H01B(0.638865) H01C(0.653782) H014(0.24003) H01D(0.685642) H01E(0.740677)
 H01F(0.679082) H01G(0.716518) H01H(0.76808) H01I(0.716308) H017(0.166955)
 H018(0.489369) H01J(0.622281) H01K(0.603816) H01L(0.559461) H01M(0.181143)
 H01N(0.688521) H01O(0.75026) H01P(0.699348) H01Q(0.468927) H01R(0.511066)
 H01S(0.485892) H01V(0.446523) H01W(0.388605) H01T(0.316137) H01U(0.408498)
 H01X(0.326042) H01Y(0.315546) H01Z(0.311772) H(0.296336)
;
_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 0.61988(2) 0.58230(2) 0.55835(2) 0.01196(4) Uani 1 1 d . . . . .
Rh02 Rh 0.62895(2) 0.47982(2) 0.45193(2) 0.01213(4) Uani 1 1 d . . . . .
Cl03 Cl 0.53120(4) 0.46203(4) 0.60136(3) 0.01596(11) Uani 1 1 d . . . . .
Cl04 Cl 0.47378(4) 0.66589(4) 0.53353(3) 0.01625(11) Uani 1 1 d . . . . .
P1 P 0.68142(4) 0.40608(5) 0.37987(3) 0.01578(13) Uani 1 1 d . . . . .
Si06 Si 0.66736(6) 0.85299(6) 0.56337(4) 0.02416(16) Uani 1 1 d . . . . .
Si07 Si 0.78701(5) 0.51134(7) 0.68682(3) 0.02412(16) Uani 1 1 d . . . . .
Cl08 Cl 0.21067(7) 0.78085(8) 0.38891(5) 0.0554(3) Uani 1 1 d . . . . .
Cl09 Cl 0.39888(10) 0.84707(10) 0.37691(6) 0.0760(4) Uani 1 1 d . . . . .
Cl0A Cl 0.6074(4) 0.8810(4) 0.2977(3) 0.0951(19) Uani 0.499(6) 1 d . . P A 1
C00C C 0.73153(16) 0.58963(19) 0.46099(10) 0.0147(5) Uani 1 1 d . . . . .
C00D C 0.76740(16) 0.49692(18) 0.49409(10) 0.0142(5) Uani 1 1 d . . . . .
C00E C 0.74865(16) 0.50295(18) 0.55347(11) 0.0145(5) Uani 1 1 d . . . . .
C00F C 0.74577(17) 0.5091(2) 0.60650(11) 0.0173(5) Uani 1 1 d . . . . .
C00G C 0.69542(17) 0.65799(19) 0.50014(11) 0.0152(5) Uani 1 1 d . . . . .
C00H C 0.67822(18) 0.72354(19) 0.53516(11) 0.0182(5) Uani 1 1 d . . . . .
Cl10 Cl 0.5110(3) 0.7254(2) 0.22547(15) 0.0882(14) Uani 0.499(6) 1 d . . P A 1
C00J C 0.85196(16) 0.43939(18) 0.48345(11) 0.0152(5) Uani 1 1 d . . . . .
C00K C 0.70746(18) 0.2723(2) 0.38869(12) 0.0204(5) Uani 1 1 d . . . . .
C00M C 0.7300(2) 0.2314(2) 0.44449(13) 0.0260(6) Uani 1 1 d . . . . .
H00M H 0.728119 0.271625 0.477005 0.031 Uiso 1 1 calc R . . . .
C00N C 0.86872(17) 0.4201(2) 0.42670(11) 0.0169(5) Uani 1 1 d . . . . .
C00O C 0.91536(17) 0.4021(2) 0.53105(11) 0.0189(5) Uani 1 1 d . . . . .
H00O H 0.904739 0.414259 0.568822 0.023 Uiso 1 1 calc R . . . .
C00P C 0.80397(17) 0.5702(2) 0.36971(11) 0.0176(5) Uani 1 1 d . . . . .
C00Q C 0.77176(16) 0.6317(2) 0.41140(11) 0.0158(5) Uani 1 1 d . . . . .
C00R C 0.77904(18) 0.7360(2) 0.40622(11) 0.0198(5) Uani 1 1 d . . . . .
H00R H 0.755543 0.777573 0.432557 0.024 Uiso 1 1 calc R . . . .
C00S C 0.60742(18) 0.4139(2) 0.30823(11) 0.0199(5) Uani 1 1 d . . . . .
C00T C 0.84600(18) 0.6142(2) 0.32602(11) 0.0225(6) Uani 1 1 d . . . . .
H00T H 0.867894 0.573477 0.298655 0.027 Uiso 1 1 calc R . . . .
C00U C 0.52400(19) 0.3579(3) 0.29904(12) 0.0276(6) Uani 1 1 d . . . . .
H00U H 0.509362 0.317158 0.328757 0.033 Uiso 1 1 calc R . . . .
C00V C 0.94855(18) 0.3655(2) 0.41914(13) 0.0235(6) Uani 1 1 d . . . . .
H00V H 0.959845 0.353104 0.381532 0.028 Uiso 1 1 calc R . . . .
C00W C 0.82112(19) 0.7785(2) 0.36201(12) 0.0239(6) Uani 1 1 d . . . . .
H00W H 0.825793 0.847821 0.359111 0.029 Uiso 1 1 calc R . . . .
C00X C 0.80035(17) 0.4569(2) 0.37384(11) 0.0182(5) Uani 1 1 d . . . . .
H00X H 0.819546 0.428605 0.338723 0.022 Uiso 1 1 calc R . . . .
C00Y C 1.01110(19) 0.3297(2) 0.46632(14) 0.0266(6) Uani 1 1 d . . . . .
H00Y H 1.064445 0.294087 0.460548 0.032 Uiso 1 1 calc R . . . .
C00Z C 0.99395(19) 0.3471(2) 0.52257(13) 0.0250(6) Uani 1 1 d . . . . .
H00Z H 1.035179 0.321859 0.554551 0.030 Uiso 1 1 calc R . . . .
C010 C 0.8557(2) 0.7172(2) 0.32262(12) 0.0265(6) Uani 1 1 d . . . . .
H010 H 0.885544 0.745144 0.293871 0.032 Uiso 1 1 calc R . . . .
C011 C 0.6276(2) 0.4755(2) 0.26395(13) 0.0319(7) Uani 1 1 d . . . . .
H011 H 0.682924 0.513170 0.269532 0.038 Uiso 1 1 calc R . . . .
C012 C 0.7123(2) 0.2115(2) 0.34063(14) 0.0310(7) Uani 1 1 d . . . . .
H012 H 0.699490 0.238247 0.303133 0.037 Uiso 1 1 calc R . . . .
C013 C 0.5967(2) 0.8571(2) 0.62338(15) 0.0361(8) Uani 1 1 d . . . . .
H01A H 0.532644 0.837988 0.608465 0.054 Uiso 1 1 calc GR . . . .
H01B H 0.597669 0.923951 0.638865 0.054 Uiso 1 1 calc GR . . . .
H01C H 0.623284 0.811515 0.653782 0.054 Uiso 1 1 calc GR . . . .
C014 C 0.4629(2) 0.3624(3) 0.24609(13) 0.0314(7) Uani 1 1 d . . . . .
H014 H 0.408199 0.323675 0.240030 0.038 Uiso 1 1 calc R . . . .
C015 C 0.9108(2) 0.4641(3) 0.69960(14) 0.0393(8) Uani 1 1 d . . . . .
H01D H 0.911837 0.396350 0.685642 0.059 Uiso 1 1 calc GR . . . .
H01E H 0.935705 0.465767 0.740677 0.059 Uiso 1 1 calc GR . . . .
H01F H 0.948839 0.505707 0.679082 0.059 Uiso 1 1 calc GR . . . .
C016 C 0.7124(2) 0.4322(3) 0.72676(14) 0.0391(8) Uani 1 1 d . . . . .
H01G H 0.647567 0.452529 0.716518 0.059 Uiso 1 1 calc GR . . . .
H01H H 0.732790 0.440159 0.768080 0.059 Uiso 1 1 calc GR . . . .
H01I H 0.718470 0.363135 0.716308 0.059 Uiso 1 1 calc GR . . . .
C017 C 0.4832(2) 0.4245(3) 0.20231(13) 0.0354(7) Uani 1 1 d . . . . .
H017 H 0.441701 0.428141 0.166955 0.042 Uiso 1 1 calc R . . . .
C018 C 0.7553(3) 0.1315(3) 0.45196(16) 0.0421(8) Uani 1 1 d . . . . .
H018 H 0.770902 0.104860 0.489369 0.051 Uiso 1 1 calc R . . . .
C019 C 0.7896(3) 0.8983(3) 0.5905(2) 0.0505(10) Uani 1 1 d . . . . .
H01J H 0.818608 0.856611 0.622281 0.076 Uiso 1 1 calc GR . . . .
H01K H 0.787275 0.966294 0.603816 0.076 Uiso 1 1 calc GR . . . .
H01L H 0.825849 0.895324 0.559461 0.076 Uiso 1 1 calc GR . . . .
C01A C 0.5649(3) 0.4811(3) 0.21073(14) 0.0397(8) Uani 1 1 d . . . . .
H01M H 0.578254 0.522895 0.181143 0.048 Uiso 1 1 calc R . . . .
C01B C 0.7822(3) 0.6453(3) 0.70891(15) 0.0490(10) Uani 1 1 d . . . . .
H01N H 0.822292 0.684569 0.688521 0.073 Uiso 1 1 calc GR . . . .
H01O H 0.803590 0.651191 0.750260 0.073 Uiso 1 1 calc GR . . . .
H01P H 0.718404 0.669243 0.699348 0.073 Uiso 1 1 calc GR . . . .
C01C C 0.6102(3) 0.9280(3) 0.49961(17) 0.0504(10) Uani 1 1 d . . . . .
H01Q H 0.647144 0.923509 0.468927 0.076 Uiso 1 1 calc GR . . . .
H01R H 0.606124 0.996868 0.511066 0.076 Uiso 1 1 calc GR . . . .
H01S H 0.547858 0.902468 0.485892 0.076 Uiso 1 1 calc GR . . . .
C01D C 0.3323(3) 0.7581(4) 0.4045(2) 0.0607(12) Uani 1 1 d . . . . .
H01V H 0.351790 0.755033 0.446523 0.073 Uiso 1 1 calc R . . . .
H01W H 0.344980 0.693219 0.388605 0.073 Uiso 1 1 calc R . . . .
C01E C 0.7363(3) 0.1109(3) 0.34846(17) 0.0456(9) Uani 1 1 d . . . . .
H01T H 0.738064 0.070216 0.316137 0.055 Uiso 1 1 calc R . . . .
C01F C 0.7574(3) 0.0713(3) 0.40355(19) 0.0543(11) Uani 1 1 d . . . . .
H01U H 0.773122 0.003824 0.408498 0.065 Uiso 1 1 calc R . . . .
C01G C 0.5691(18) 0.774(2) 0.2998(9) 0.055(5) Uani 0.499(6) 1 d . . P A 1
H01X H 0.523336 0.772089 0.326042 0.066 Uiso 0.499(6) 1 calc R . P A 1
H01Y H 0.620728 0.729290 0.315546 0.066 Uiso 0.499(6) 1 calc R . P A 1
Cl1 Cl 0.9817(6) 0.9340(2) 0.4580(3) 0.0935(16) Uani 0.711(17) 1 d . . P B 1
C9 C 1.0102(7) 0.9363(8) 0.5189(4) 0.068(3) Uani 0.5 1 d . . P . .
Cl0B Cl 0.5926(3) 0.8995(4) 0.32112(18) 0.0570(9) Uani 0.501(6) 1 d . . P A 2
C01H C 0.584(2) 0.752(2) 0.2905(11) 0.089(10) Uani 0.55(2) 1 d . . . A 2
H01Z H 0.635550 0.712482 0.311772 0.106 Uiso 0.18(10) 1 calc R . . A 2
H H 0.524882 0.721908 0.296336 0.106 Uiso 0.55(10) 1 calc R . . A 2
Cl Cl 0.5898(3) 0.7527(2) 0.22997(12) 0.0737(14) Uani 0.501(6) 1 d . . P A 2
Cl1A Cl 1.0170(5) 0.9239(5) 0.4412(3) 0.046(2) Uani 0.289(17) 1 d . . P B 2


_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 2.8464(3) . ?
Rh01 Cl03 2.3712(6) . ?
Rh01 Cl04 2.3580(6) . ?
Rh01 C00E 2.150(2) . ?
Rh01 C00F 2.186(2) . ?
Rh01 C00G 2.127(2) . ?
Rh01 C00H 2.166(3) . ?
Rh02 Cl03 2.5390(6) 3_666 ?
Rh02 Cl04 2.4962(6) 3_666 ?
Rh02 P1 2.1829(7) . ?
Rh02 C00C 2.061(2) . ?
Rh02 C00D 2.073(2) . ?
P1 C00K 1.826(3) . ?
P1 C00S 1.818(3) . ?
P1 C00X 1.864(3) . ?
Si06 C00H 1.862(3) . ?
Si06 C013 1.860(3) . ?
Si06 C019 1.861(4) . ?
Si06 C01C 1.858(4) . ?
Si07 C00F 1.859(3) . ?
Si07 C015 1.862(3) . ?
Si07 C016 1.860(3) . ?
Si07 C01B 1.862(4) . ?
Cl08 C01D 1.748(4) . ?
Cl09 C01D 1.714(5) . ?
Cl0A C01G 1.54(3) . ?
C00C C00D 1.499(3) . ?
C00C C00G 1.445(3) . ?
C00C C00Q 1.484(3) . ?
C00D C00E 1.452(3) . ?
C00D C00J 1.492(3) . ?
C00E C00F 1.242(3) . ?
C00G C00H 1.247(4) . ?
Cl10 C01G 1.90(3) . ?
C00J C00N 1.404(3) . ?
C00J C00O 1.398(3) . ?
C00K C00M 1.392(4) . ?
C00K C012 1.391(4) . ?
C00M H00M 0.9300 . ?
C00M C018 1.383(4) . ?
C00N C00V 1.393(4) . ?
C00N C00X 1.517(4) . ?
C00O H00O 0.9300 . ?
C00O C00Z 1.387(4) . ?
C00P C00Q 1.406(4) . ?
C00P C00T 1.395(4) . ?
C00P C00X 1.514(4) . ?
C00Q C00R 1.402(4) . ?
C00R H00R 0.9300 . ?
C00R C00W 1.397(4) . ?
C00S C00U 1.397(4) . ?
C00S C011 1.384(4) . ?
C00T H00T 0.9300 . ?
C00T C010 1.385(4) . ?
C00U H00U 0.9300 . ?
C00U C014 1.385(4) . ?
C00V H00V 0.9300 . ?
C00V C00Y 1.378(4) . ?
C00W H00W 0.9300 . ?
C00W C010 1.380(4) . ?
C00X H00X 0.9800 . ?
C00Y H00Y 0.9300 . ?
C00Y C00Z 1.390(4) . ?
C00Z H00Z 0.9300 . ?
C010 H010 0.9300 . ?
C011 H011 0.9300 . ?
C011 C01A 1.402(4) . ?
C012 H012 0.9300 . ?
C012 C01E 1.388(5) . ?
C013 H01A 0.9600 . ?
C013 H01B 0.9600 . ?
C013 H01C 0.9600 . ?
C014 H014 0.9300 . ?
C014 C017 1.380(5) . ?
C015 H01D 0.9600 . ?
C015 H01E 0.9600 . ?
C015 H01F 0.9600 . ?
C016 H01G 0.9600 . ?
C016 H01H 0.9600 . ?
C016 H01I 0.9600 . ?
C017 H017 0.9300 . ?
C017 C01A 1.379(5) . ?
C018 H018 0.9300 . ?
C018 C01F 1.386(5) . ?
C019 H01J 0.9600 . ?
C019 H01K 0.9600 . ?
C019 H01L 0.9600 . ?
C01A H01M 0.9300 . ?
C01B H01N 0.9600 . ?
C01B H01O 0.9600 . ?
C01B H01P 0.9600 . ?
C01C H01Q 0.9600 . ?
C01C H01R 0.9600 . ?
C01C H01S 0.9600 . ?
C01D H01V 0.9700 . ?
C01D H01W 0.9700 . ?
C01E H01T 0.9300 . ?
C01E C01F 1.369(5) . ?
C01F H01U 0.9300 . ?
C01G H01X 0.9700 . ?
C01G H01Y 0.9700 . ?
Cl1 C9 1.808(11) 3_776 ?
Cl1 C9 1.405(11) . ?
C9 C9 1.91(2) 3_776 ?
C9 Cl1A 2.145(14) 3_776 ?
C9 Cl1A 1.831(13) . ?
Cl0B C01H 2.09(3) . ?
C01H H01Z 0.9700 . ?
C01H H 0.9700 . ?
C01H Cl 1.42(2) . ?

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
Cl03 Rh01 Rh02 98.561(16) . . ?
Cl04 Rh01 Rh02 100.676(16) . . ?
Cl04 Rh01 Cl03 84.45(2) . . ?
C00E Rh01 Rh02 63.30(7) . . ?
C00E Rh01 Cl03 102.60(7) . . ?
C00E Rh01 Cl04 163.08(7) . . ?
C00E Rh01 C00F 33.28(9) . . ?
C00E Rh01 C00H 92.40(9) . . ?
C00F Rh01 Rh02 94.21(7) . . ?
C00F Rh01 Cl03 86.51(7) . . ?
C00F Rh01 Cl04 163.57(7) . . ?
C00G Rh01 Rh02 64.64(7) . . ?
C00G Rh01 Cl03 163.19(7) . . ?
C00G Rh01 Cl04 98.59(7) . . ?
C00G Rh01 C00E 70.32(9) . . ?
C00G Rh01 C00F 94.02(9) . . ?
C00G Rh01 C00H 33.76(9) . . ?
C00H Rh01 Rh02 97.13(7) . . ?
C00H Rh01 Cl03 161.94(7) . . ?
C00H Rh01 Cl04 83.92(7) . . ?
C00H Rh01 C00F 101.21(10) . . ?
Cl03 Rh02 Rh01 96.012(15) 3_666 . ?
Cl04 Rh02 Rh01 98.057(16) 3_666 . ?
Cl04 Rh02 Cl03 78.270(19) 3_666 3_666 ?
P1 Rh02 Rh01 162.708(19) . . ?
P1 Rh02 Cl03 99.56(2) . 3_666 ?
P1 Rh02 Cl04 92.44(2) . 3_666 ?
C00C Rh02 Rh01 73.05(7) . . ?
C00C Rh02 Cl03 113.87(7) . 3_666 ?
C00C Rh02 Cl04 165.22(7) . 3_666 ?
C00C Rh02 P1 93.66(7) . . ?
C00C Rh02 C00D 42.52(9) . . ?
C00D Rh02 Rh01 73.71(7) . . ?
C00D Rh02 Cl03 155.80(7) . 3_666 ?
C00D Rh02 Cl04 124.24(7) . 3_666 ?
C00D Rh02 P1 89.03(7) . . ?
Rh01 Cl03 Rh02 95.45(2) . 3_666 ?
Rh01 Cl04 Rh02 96.94(2) . 3_666 ?
C00K P1 Rh02 116.39(9) . . ?
C00K P1 C00X 101.00(12) . . ?
C00S P1 Rh02 116.85(9) . . ?
C00S P1 C00K 103.61(13) . . ?
C00S P1 C00X 108.05(12) . . ?
C00X P1 Rh02 109.53(8) . . ?
C013 Si06 C00H 112.36(13) . . ?
C013 Si06 C019 109.87(18) . . ?
C019 Si06 C00H 106.81(15) . . ?
C01C Si06 C00H 105.70(15) . . ?
C01C Si06 C013 111.00(18) . . ?
C01C Si06 C019 111.0(2) . . ?
C00F Si07 C015 106.64(13) . . ?
C00F Si07 C016 112.30(14) . . ?
C00F Si07 C01B 105.78(15) . . ?
C015 Si07 C01B 111.08(19) . . ?
C016 Si07 C015 110.12(16) . . ?
C016 Si07 C01B 110.79(18) . . ?
C00D C00C Rh02 69.15(13) . . ?
C00G C00C Rh02 100.67(15) . . ?
C00G C00C C00D 109.0(2) . . ?
C00G C00C C00Q 118.6(2) . . ?
C00Q C00C Rh02 123.72(17) . . ?
C00Q C00C C00D 124.3(2) . . ?
C00C C00D Rh02 68.33(13) . . ?
C00E C00D Rh02 97.84(15) . . ?
C00E C00D C00C 109.8(2) . . ?
C00E C00D C00J 118.3(2) . . ?
C00J C00D Rh02 127.38(17) . . ?
C00J C00D C00C 123.8(2) . . ?
C00D C00E Rh01 112.22(16) . . ?
C00F C00E Rh01 74.98(16) . . ?
C00F C00E C00D 171.3(2) . . ?
Si07 C00F Rh01 126.86(13) . . ?
C00E C00F Rh01 71.74(15) . . ?
C00E C00F Si07 159.6(2) . . ?
C00C C00G Rh01 112.20(17) . . ?
C00H C00G Rh01 74.83(16) . . ?
C00H C00G C00C 170.1(2) . . ?
Si06 C00H Rh01 131.22(13) . . ?
C00G C00H Rh01 71.41(16) . . ?
C00G C00H Si06 156.5(2) . . ?
C00N C00J C00D 121.7(2) . . ?
C00O C00J C00D 119.4(2) . . ?
C00O C00J C00N 119.0(2) . . ?
C00M C00K P1 119.8(2) . . ?
C012 C00K P1 121.1(2) . . ?
C012 C00K C00M 118.9(3) . . ?
C00K C00M H00M 119.7 . . ?
C018 C00M C00K 120.5(3) . . ?
C018 C00M H00M 119.7 . . ?
C00J C00N C00X 120.6(2) . . ?
C00V C00N C00J 119.4(2) . . ?
C00V C00N C00X 120.0(2) . . ?
C00J C00O H00O 119.6 . . ?
C00Z C00O C00J 120.7(3) . . ?
C00Z C00O H00O 119.6 . . ?
C00Q C00P C00X 121.3(2) . . ?
C00T C00P C00Q 119.3(2) . . ?
C00T C00P C00X 119.3(2) . . ?
C00P C00Q C00C 122.1(2) . . ?
C00R C00Q C00C 119.1(2) . . ?
C00R C00Q C00P 118.8(2) . . ?
C00Q C00R H00R 119.6 . . ?
C00W C00R C00Q 120.9(3) . . ?
C00W C00R H00R 119.6 . . ?
C00U C00S P1 117.5(2) . . ?
C011 C00S P1 123.4(2) . . ?
C011 C00S C00U 119.1(3) . . ?
C00P C00T H00T 119.4 . . ?
C010 C00T C00P 121.3(3) . . ?
C010 C00T H00T 119.4 . . ?
C00S C00U H00U 119.7 . . ?
C014 C00U C00S 120.6(3) . . ?
C014 C00U H00U 119.7 . . ?
C00N C00V H00V 119.4 . . ?
C00Y C00V C00N 121.2(3) . . ?
C00Y C00V H00V 119.4 . . ?
C00R C00W H00W 120.1 . . ?
C010 C00W C00R 119.8(3) . . ?
C010 C00W H00W 120.1 . . ?
P1 C00X H00X 108.3 . . ?
C00N C00X P1 107.20(17) . . ?
C00N C00X H00X 108.3 . . ?
C00P C00X P1 114.14(17) . . ?
C00P C00X C00N 110.5(2) . . ?
C00P C00X H00X 108.3 . . ?
C00V C00Y H00Y 120.2 . . ?
C00V C00Y C00Z 119.6(3) . . ?
C00Z C00Y H00Y 120.2 . . ?
C00O C00Z C00Y 120.0(3) . . ?
C00O C00Z H00Z 120.0 . . ?
C00Y C00Z H00Z 120.0 . . ?
C00T C010 H010 120.1 . . ?
C00W C010 C00T 119.8(3) . . ?
C00W C010 H010 120.1 . . ?
C00S C011 H011 119.9 . . ?
C00S C011 C01A 120.1(3) . . ?
C01A C011 H011 119.9 . . ?
C00K C012 H012 119.9 . . ?
C01E C012 C00K 120.2(3) . . ?
C01E C012 H012 119.9 . . ?
Si06 C013 H01A 109.5 . . ?
Si06 C013 H01B 109.5 . . ?
Si06 C013 H01C 109.5 . . ?
H01A C013 H01B 109.5 . . ?
H01A C013 H01C 109.5 . . ?
H01B C013 H01C 109.5 . . ?
C00U C014 H014 120.0 . . ?
C017 C014 C00U 119.9(3) . . ?
C017 C014 H014 120.0 . . ?
Si07 C015 H01D 109.5 . . ?
Si07 C015 H01E 109.5 . . ?
Si07 C015 H01F 109.5 . . ?
H01D C015 H01E 109.5 . . ?
H01D C015 H01F 109.5 . . ?
H01E C015 H01F 109.5 . . ?
Si07 C016 H01G 109.5 . . ?
Si07 C016 H01H 109.5 . . ?
Si07 C016 H01I 109.5 . . ?
H01G C016 H01H 109.5 . . ?
H01G C016 H01I 109.5 . . ?
H01H C016 H01I 109.5 . . ?
C014 C017 H017 119.8 . . ?
C01A C017 C014 120.3(3) . . ?
C01A C017 H017 119.8 . . ?
C00M C018 H018 120.1 . . ?
C00M C018 C01F 119.8(3) . . ?
C01F C018 H018 120.1 . . ?
Si06 C019 H01J 109.5 . . ?
Si06 C019 H01K 109.5 . . ?
Si06 C019 H01L 109.5 . . ?
H01J C019 H01K 109.5 . . ?
H01J C019 H01L 109.5 . . ?
H01K C019 H01L 109.5 . . ?
C011 C01A H01M 120.1 . . ?
C017 C01A C011 119.9(3) . . ?
C017 C01A H01M 120.1 . . ?
Si07 C01B H01N 109.5 . . ?
Si07 C01B H01O 109.5 . . ?
Si07 C01B H01P 109.5 . . ?
H01N C01B H01O 109.5 . . ?
H01N C01B H01P 109.5 . . ?
H01O C01B H01P 109.5 . . ?
Si06 C01C H01Q 109.5 . . ?
Si06 C01C H01R 109.5 . . ?
Si06 C01C H01S 109.5 . . ?
H01Q C01C H01R 109.5 . . ?
H01Q C01C H01S 109.5 . . ?
H01R C01C H01S 109.5 . . ?
Cl08 C01D H01V 108.8 . . ?
Cl08 C01D H01W 108.8 . . ?
Cl09 C01D Cl08 113.9(2) . . ?
Cl09 C01D H01V 108.8 . . ?
Cl09 C01D H01W 108.8 . . ?
H01V C01D H01W 107.7 . . ?
C012 C01E H01T 119.8 . . ?
C01F C01E C012 120.3(3) . . ?
C01F C01E H01T 119.8 . . ?
C018 C01F H01U 119.9 . . ?
C01E C01F C018 120.2(3) . . ?
C01E C01F H01U 119.9 . . ?
Cl0A C01G Cl10 113.0(12) . . ?
Cl0A C01G H01X 109.0 . . ?
Cl0A C01G H01Y 109.0 . . ?
Cl10 C01G H01X 109.0 . . ?
Cl10 C01G H01Y 109.0 . . ?
H01X C01G H01Y 107.8 . . ?
C9 Cl1 C9 71.8(6) . 3_776 ?
Cl1 C9 Cl1 108.2(6) . 3_776 ?
Cl1 C9 C9 63.9(6) . 3_776 ?
Cl1 C9 C9 44.3(5) 3_776 3_776 ?
Cl1 C9 Cl1A 18.0(3) 3_776 3_776 ?
Cl1 C9 Cl1A 114.2(7) . 3_776 ?
C9 C9 Cl1A 53.3(5) 3_776 3_776 ?
Cl1A C9 Cl1A 123.2(6) . 3_776 ?
Cl0B C01H H01Z 110.0 . . ?
Cl0B C01H H 110.0 . . ?
H01Z C01H H 108.3 . . ?
Cl C01H Cl0B 108.7(17) . . ?
Cl C01H H01Z 110.0 . . ?
Cl C01H H 110.0 . . ?
C9 Cl1A C9 56.8(6) . 3_776 ?

_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 1.568
_oxdiff_exptl_absorpt_empirical_full_min 0.657
####################################################################### 
# 
# 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_pj3-51
_database_code_depnum_ccdc_archive 'CCDC 1919542'
loop_
_audit_author_name
_audit_author_address
'Olaf Fuhr'
;Karlsruhe Institute of Technology
Germany
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-07-08 downloaded from the CCDC.
;
_audit_creation_date             2017-06-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         
'C63 H59 F3 O3 P3 Rh2 S Si2, C F3 O3 S, 3(C H2 Cl2)'
_chemical_formula_sum            'C67 H65 Cl6 F6 O6 P3 Rh2 S2 Si2'
_chemical_formula_weight         1711.92
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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                   18.6773(5)
_cell_length_b                   20.3524(4)
_cell_length_c                   21.3813(5)
_cell_angle_alpha                90
_cell_angle_beta                 115.129(2)
_cell_angle_gamma                90
_cell_volume                     7358.4(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    21744
_cell_measurement_temperature    153.15
_cell_measurement_theta_max      63.15
_cell_measurement_theta_min      2.61
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.634
_exptl_absorpt_correction_T_max  0.7018
_exptl_absorpt_correction_T_min  0.4114
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'Stoe Xred and LANA'
_exptl_crystal_colour            'orangish red'
_exptl_crystal_colour_modifier   orangish
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plank
_exptl_crystal_F_000             3464
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
4 2 -2 0.0383
-4 2 2 0.0399
-4 -2 1 0.0319
4 -1 -1 0.0292
1 0 4 0.0489
0 0 -4 0.0520

_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.833
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26080
_diffrn_reflns_point_group_measured_fraction_full 0.833
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_theta_full        67.686
_diffrn_reflns_theta_max         62.491
_diffrn_reflns_theta_min         2.613
_diffrn_ambient_temperature      153.15
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_detector_type            DECTRIS
_diffrn_measured_fraction_theta_full 0.833
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measurement_device       '4-circle goniometer'
_diffrn_measurement_device_type  'Stoe StadiVari'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_collimation    '2.5 mm diameter, monocapillary'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_polarisn_norm  0
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_source                   'Cu Genix 3D'
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_source_target            Cu
_diffrn_source_type              'microfocus sealed X-ray tube'
_diffrn_source_voltage           50
_diffrn_special_details          ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8355
_reflns_number_total             11101
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.696
_refine_diff_density_min         -0.827
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     846
_refine_ls_number_reflns         11101
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0899
_refine_ls_R_factor_gt           0.0652
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1192P)²+9.7647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1713
_refine_ls_wR_factor_ref         0.1845
_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. Restrained distances
 Cl5A-C68A = Cl6A-C68A
 1.76 with sigma of 0.02
 Cl5B-Cl6B
 2.9 with sigma of 0.02
 Cl5B-C68B = Cl6B-C68B
 1.76 with sigma of 0.02
 Cl5A-Cl6A
 2.9 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Cl3 \\sim Cl4 \\sim C67: within 1.7A with sigma of 0.04 and sigma for terminal
atoms of 0.08
Uiso(C68B) = Uiso(Cl5B) = Uiso(Cl6B)
Uiso(C68A) = Uiso(Cl5A) = Uiso(Cl6A)
4. Others
 Fixed Sof: Cl5A(0.6) Cl6A(0.6) C68A(0.6) H68A(0.6) H68B(0.6) Cl5B(0.4)
 Cl6B(0.4) C68B(0.4) H68C(0.4) H68D(0.4)
5.a Ternary CH refined with riding coordinates:
 C13(H13)
5.b Secondary CH2 refined with riding coordinates:
 C50(H50A,H50B), C66(H66A,H66B), C67(H67A,H67B), C68A(H68A,H68B), C68B(H68C,
 H68D)
5.c Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C15(H15), C16(H16), C17(H17), C18(H18),
 C27(H27), C28(H28), C29(H29), C30(H30), C31(H31), C33(H33), C34(H34), C35(H35),
  C36(H36), C37(H37), C39(H39), C40(H40), C41(H41), C42(H42), C43(H43),
 C45(H45), C46(H46), C47(H47), C48(H48), C49(H49), C52(H52), C53(H53), C54(H54),
  C55(H55), C56(H56), C59(H59), C60(H60), C61(H61), C62(H62), C63(H63)
5.d Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C3(H3A,H3B,H3C), C23(H23A,H23B,H23C),
 C24(H24A,H24B,H24C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Rh1 Rh 0.21042(3) 0.33029(2) 0.33562(2) 0.03096(17) Uani 1 1 d . . . . .
Rh2 Rh 0.07890(3) 0.25632(2) 0.31838(2) 0.03199(17) Uani 1 1 d . . . . .
S1 S 0.07397(11) 0.38824(8) 0.39461(9) 0.0383(4) Uani 1 1 d . . . . .
P1 P 0.29901(11) 0.39390(8) 0.31961(9) 0.0340(4) Uani 1 1 d . . . . .
P2 P 0.29394(11) 0.28061(9) 0.43963(8) 0.0334(4) Uani 1 1 d . . . . .
P3 P 0.14741(11) 0.19857(8) 0.41747(8) 0.0334(4) Uani 1 1 d . . . . .
Si1 Si 0.04070(13) 0.10294(10) 0.21092(10) 0.0427(5) Uani 1 1 d . . . . .
Si2 Si -0.11795(12) 0.31252(11) 0.20982(10) 0.0430(5) Uani 1 1 d . . . . .
F1 F 0.1221(4) 0.3685(3) 0.5272(2) 0.0727(15) Uani 1 1 d . . . . .
F2 F -0.0007(4) 0.3943(3) 0.4732(3) 0.0927(19) Uani 1 1 d . . . . .
F3 F 0.0884(4) 0.4670(3) 0.4944(3) 0.0861(18) Uani 1 1 d . . . . .
O1 O 0.1564(3) 0.3923(2) 0.4100(2) 0.0457(12) Uani 1 1 d . . . . .
O2 O 0.0442(3) 0.3203(2) 0.3810(2) 0.0379(11) Uani 1 1 d . . . . .
O3 O 0.0246(3) 0.4361(3) 0.3495(3) 0.0537(14) Uani 1 1 d . . . . .
C1 C 0.1100(5) 0.0573(4) 0.1855(4) 0.049(2) Uani 1 1 d . . . . .
C2 C 0.0110(6) 0.0564(4) 0.2700(4) 0.058(2) Uani 1 1 d . . . . .
C3 C -0.0461(5) 0.1281(4) 0.1326(4) 0.058(2) Uani 1 1 d . . . . .
C4 C 0.0930(4) 0.1820(3) 0.2523(3) 0.0355(16) Uani 1 1 d . . . . .
C5 C 0.1353(4) 0.2291(3) 0.2546(3) 0.0315(15) Uani 1 1 d . . . . .
C6 C 0.1762(4) 0.2839(3) 0.2406(3) 0.0344(15) Uani 1 1 d . . . . .
C7 C 0.2337(4) 0.2685(3) 0.2113(3) 0.0338(15) Uani 1 1 d . . . . .
C8 C 0.2408(4) 0.2039(3) 0.1931(3) 0.0387(16) Uani 1 1 d . . . . .
C9 C 0.2953(4) 0.1869(4) 0.1680(3) 0.0405(17) Uani 1 1 d . . . . .
C10 C 0.3436(5) 0.2346(4) 0.1617(4) 0.0415(17) Uani 1 1 d . . . . .
C11 C 0.3377(4) 0.2982(4) 0.1796(3) 0.0391(17) Uani 1 1 d . . . . .
C12 C 0.2834(4) 0.3166(3) 0.2047(3) 0.0363(16) Uani 1 1 d . . . . .
C13 C 0.2809(4) 0.3865(3) 0.2265(3) 0.0336(15) Uani 1 1 d . . . . .
C14 C 0.2028(4) 0.4197(3) 0.1824(3) 0.0344(15) Uani 1 1 d . . . . .
C15 C 0.2019(5) 0.4709(3) 0.1386(4) 0.0430(18) Uani 1 1 d . . . . .
C16 C 0.1313(5) 0.5027(4) 0.0981(4) 0.051(2) Uani 1 1 d . . . . .
C17 C 0.0612(5) 0.4840(4) 0.0998(4) 0.049(2) Uani 1 1 d . . . . .
C18 C 0.0621(5) 0.4337(4) 0.1445(4) 0.0434(18) Uani 1 1 d . . . . .
C19 C 0.1316(4) 0.4004(3) 0.1847(3) 0.0328(15) Uani 1 1 d . . . . .
C20 C 0.1295(4) 0.3448(3) 0.2294(3) 0.0325(15) Uani 1 1 d . . . . .
C21 C 0.0552(4) 0.3328(3) 0.2317(3) 0.0357(16) Uani 1 1 d . . . . .
C22 C -0.0104(4) 0.3202(3) 0.2299(3) 0.0373(16) Uani 1 1 d . . . . .
C23 C -0.1277(5) 0.2414(4) 0.2601(4) 0.052(2) Uani 1 1 d . . . . .
C24 C -0.1700(5) 0.2988(5) 0.1151(4) 0.063(2) Uani 1 1 d . . . . .
C25 C -0.1512(5) 0.3896(4) 0.2347(5) 0.059(2) Uani 1 1 d . . . . .
C26 C 0.2871(4) 0.4816(3) 0.3306(4) 0.0374(16) Uani 1 1 d . . . . .
C27 C 0.3138(5) 0.5277(4) 0.2980(4) 0.0457(18) Uani 1 1 d . . . . .
C28 C 0.3061(5) 0.5948(4) 0.3084(4) 0.053(2) Uani 1 1 d . . . . .
C29 C 0.2737(5) 0.6151(4) 0.3516(4) 0.051(2) Uani 1 1 d . . . . .
C30 C 0.2476(5) 0.5696(4) 0.3844(5) 0.056(2) Uani 1 1 d . . . . .
C31 C 0.2527(5) 0.5024(4) 0.3726(4) 0.0463(19) Uani 1 1 d . . . . .
C32 C 0.4061(4) 0.3831(3) 0.3690(4) 0.0386(17) Uani 1 1 d . . . . .
C33 C 0.4464(5) 0.3356(4) 0.3516(4) 0.053(2) Uani 1 1 d . . . . .
C34 C 0.5275(6) 0.3293(5) 0.3886(5) 0.068(3) Uani 1 1 d . . . . .
C35 C 0.5692(5) 0.3701(5) 0.4444(4) 0.057(2) Uani 1 1 d . . . . .
C36 C 0.5273(5) 0.4172(4) 0.4609(5) 0.060(2) Uani 1 1 d . . . . .
C37 C 0.4470(5) 0.4246(4) 0.4239(4) 0.054(2) Uani 1 1 d . . . . .
C38 C 0.3635(4) 0.3312(3) 0.5098(3) 0.0371(16) Uani 1 1 d . . . . .
C39 C 0.4431(5) 0.3168(4) 0.5420(4) 0.0495(19) Uani 1 1 d . . . . .
C40 C 0.4937(6) 0.3573(5) 0.5950(5) 0.064(2) Uani 1 1 d . . . . .
C41 C 0.4655(6) 0.4117(5) 0.6146(4) 0.062(2) Uani 1 1 d . . . . .
C42 C 0.3858(5) 0.4273(4) 0.5818(4) 0.052(2) Uani 1 1 d . . . . .
C43 C 0.3355(5) 0.3868(4) 0.5308(4) 0.0415(17) Uani 1 1 d . . . . .
C44 C 0.3522(4) 0.2099(4) 0.4366(4) 0.0398(17) Uani 1 1 d . . . . .
C45 C 0.3629(5) 0.1990(4) 0.3765(4) 0.050(2) Uani 1 1 d . . . . .
C46 C 0.4071(6) 0.1459(5) 0.3739(5) 0.062(2) Uani 1 1 d . . . . .
C47 C 0.4390(6) 0.1032(5) 0.4275(5) 0.066(3) Uani 1 1 d . . . . .
C48 C 0.4271(5) 0.1127(4) 0.4870(5) 0.055(2) Uani 1 1 d . . . . .
C49 C 0.3848(4) 0.1663(4) 0.4906(4) 0.0425(18) Uani 1 1 d . . . . .
C50 C 0.2308(4) 0.2472(3) 0.4785(3) 0.0341(15) Uani 1 1 d . . . . .
C51 C 0.1869(5) 0.1159(3) 0.4206(4) 0.0404(17) Uani 1 1 d . . . . .
C52 C 0.2198(4) 0.0968(3) 0.3764(3) 0.0386(16) Uani 1 1 d . . . . .
C53 C 0.2529(5) 0.0357(4) 0.3814(4) 0.0472(19) Uani 1 1 d . . . . .
C54 C 0.2550(6) -0.0083(4) 0.4333(5) 0.061(2) Uani 1 1 d . . . . .
C55 C 0.2246(7) 0.0114(4) 0.4772(5) 0.069(3) Uani 1 1 d . . . . .
C56 C 0.1896(6) 0.0721(4) 0.4714(4) 0.055(2) Uani 1 1 d . . . . .
C58 C 0.0803(5) 0.1913(3) 0.4590(3) 0.0377(16) Uani 1 1 d . . . . .
C59 C 0.1002(5) 0.2131(4) 0.5260(4) 0.0431(18) Uani 1 1 d . . . . .
C60 C 0.0418(5) 0.2130(4) 0.5505(4) 0.049(2) Uani 1 1 d . . . . .
C61 C -0.0331(5) 0.1926(4) 0.5109(4) 0.050(2) Uani 1 1 d . . . . .
C62 C -0.0521(5) 0.1694(4) 0.4449(5) 0.052(2) Uani 1 1 d . . . . .
C63 C 0.0054(5) 0.1681(4) 0.4194(4) 0.0451(18) Uani 1 1 d . . . . .
C64 C 0.0701(6) 0.4054(4) 0.4776(4) 0.055(2) Uani 1 1 d . . . . .


_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
Rh1 Rh2 2.7691(7) . ?
Rh1 P1 2.2385(17) . ?
Rh1 P2 2.3357(18) . ?
Rh1 C6 2.080(6) . ?
Rh1 C20 2.148(7) . ?
Rh2 P3 2.2813(18) . ?
Rh2 O2 2.155(4) . ?
Rh2 C4 2.162(6) . ?
Rh2 C5 2.121(6) . ?
Rh2 C21 2.314(6) . ?
Rh2 C22 2.318(7) . ?
S1 O1 1.434(5) . ?
S1 O2 1.473(5) . ?
S1 O3 1.404(5) . ?
S1 C64 1.840(8) . ?
P1 C13 1.879(6) . ?
P1 C26 1.827(7) . ?
P1 C32 1.836(8) . ?
P2 C38 1.830(7) . ?
P2 C44 1.822(7) . ?
P2 C50 1.837(7) . ?
P3 C50 1.839(7) . ?
P3 C51 1.827(7) . ?
P3 C58 1.824(7) . ?
Si1 C1 1.852(8) . ?
Si1 C2 1.843(7) . ?
Si1 C3 1.842(9) . ?
Si1 C4 1.895(7) . ?
Si2 C22 1.874(8) . ?
Si2 C23 1.857(8) . ?
Si2 C24 1.858(9) . ?
Si2 C25 1.847(8) . ?
C4 C5 1.230(9) . ?
C5 C6 1.454(10) . ?
C6 C7 1.489(9) . ?
C6 C20 1.475(10) . ?
C7 C8 1.393(10) . ?
C7 C12 1.398(10) . ?
C8 C9 1.381(10) . ?
C9 C10 1.371(10) . ?
C10 C11 1.368(10) . ?
C11 C12 1.386(10) . ?
C12 C13 1.503(10) . ?
C13 C14 1.518(10) . ?
C14 C15 1.396(9) . ?
C14 C19 1.408(9) . ?
C15 C16 1.393(11) . ?
C16 C17 1.379(12) . ?
C17 C18 1.396(10) . ?
C18 C19 1.391(10) . ?
C19 C20 1.492(9) . ?
C20 C21 1.432(9) . ?
C21 C22 1.235(10) . ?
C26 C27 1.383(10) . ?
C26 C31 1.375(10) . ?
C27 C28 1.401(11) . ?
C28 C29 1.365(12) . ?
C29 C30 1.371(12) . ?
C30 C31 1.402(11) . ?
C32 C33 1.371(11) . ?
C32 C37 1.383(11) . ?
C33 C34 1.385(13) . ?
C34 C35 1.389(13) . ?
C35 C36 1.374(12) . ?
C36 C37 1.376(12) . ?
C38 C39 1.378(11) . ?
C38 C43 1.396(10) . ?
C39 C40 1.396(12) . ?
C40 C41 1.367(13) . ?
C41 C42 1.385(13) . ?
C42 C43 1.372(10) . ?
C44 C45 1.401(10) . ?
C44 C49 1.376(10) . ?
C45 C46 1.374(12) . ?
C46 C47 1.358(13) . ?
C47 C48 1.394(12) . ?
C48 C49 1.369(11) . ?
C51 C52 1.385(10) . ?
C51 C56 1.388(10) . ?
C52 C53 1.371(10) . ?
C53 C54 1.413(11) . ?
C54 C55 1.349(12) . ?
C55 C56 1.379(12) . ?
C58 C59 1.391(10) . ?
C58 C63 1.375(11) . ?
C59 C60 1.396(10) . ?
C60 C61 1.355(12) . ?
C61 C62 1.384(12) . ?
C62 C63 1.397(10) . ?
C64 F1 1.325(10) . ?
C64 F2 1.305(11) . ?
C64 F3 1.310(10) . ?

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
P1 Rh1 Rh2 164.92(5) . . ?
P1 Rh1 P2 99.08(7) . . ?
P2 Rh1 Rh2 95.01(5) . . ?
C6 Rh1 Rh2 74.71(19) . . ?
C6 Rh1 P1 93.1(2) . . ?
C6 Rh1 P2 122.55(19) . . ?
C6 Rh1 C20 40.8(3) . . ?
C20 Rh1 Rh2 75.40(17) . . ?
C20 Rh1 P1 89.58(18) . . ?
C20 Rh1 P2 162.13(18) . . ?
P3 Rh2 Rh1 92.32(5) . . ?
P3 Rh2 C21 158.6(2) . . ?
P3 Rh2 C22 166.54(18) . . ?
O2 Rh2 Rh1 94.16(13) . . ?
O2 Rh2 P3 86.11(13) . . ?
O2 Rh2 C4 168.9(2) . . ?
O2 Rh2 C21 94.9(2) . . ?
O2 Rh2 C22 82.3(2) . . ?
C4 Rh2 Rh1 96.88(19) . . ?
C4 Rh2 P3 94.04(19) . . ?
C4 Rh2 C21 89.0(2) . . ?
C4 Rh2 C22 96.0(2) . . ?
C5 Rh2 Rh1 64.70(19) . . ?
C5 Rh2 P3 103.11(18) . . ?
C5 Rh2 O2 156.9(2) . . ?
C5 Rh2 C4 33.4(3) . . ?
C5 Rh2 C21 68.9(2) . . ?
C5 Rh2 C22 90.2(2) . . ?
C21 Rh2 Rh1 66.32(19) . . ?
C21 Rh2 C22 30.9(3) . . ?
C22 Rh2 Rh1 95.37(18) . . ?
O1 S1 O2 112.2(3) . . ?
O1 S1 C64 104.2(4) . . ?
O2 S1 C64 101.7(3) . . ?
O3 S1 O1 116.4(3) . . ?
O3 S1 O2 115.7(3) . . ?
O3 S1 C64 104.3(4) . . ?
C13 P1 Rh1 107.7(2) . . ?
C26 P1 Rh1 114.1(2) . . ?
C26 P1 C13 103.7(3) . . ?
C26 P1 C32 101.9(3) . . ?
C32 P1 Rh1 122.6(2) . . ?
C32 P1 C13 105.2(3) . . ?
C38 P2 Rh1 119.5(2) . . ?
C38 P2 C50 101.9(3) . . ?
C44 P2 Rh1 118.4(2) . . ?
C44 P2 C38 104.3(3) . . ?
C44 P2 C50 103.3(3) . . ?
C50 P2 Rh1 107.1(2) . . ?
C50 P3 Rh2 110.7(2) . . ?
C51 P3 Rh2 124.6(2) . . ?
C51 P3 C50 105.2(3) . . ?
C58 P3 Rh2 105.3(2) . . ?
C58 P3 C50 104.4(3) . . ?
C58 P3 C51 104.9(3) . . ?
C1 Si1 C4 106.1(3) . . ?
C2 Si1 C1 113.2(4) . . ?
C2 Si1 C4 111.3(3) . . ?
C3 Si1 C1 109.1(4) . . ?
C3 Si1 C2 111.2(4) . . ?
C3 Si1 C4 105.6(4) . . ?
C23 Si2 C22 107.0(4) . . ?
C23 Si2 C24 112.3(4) . . ?
C24 Si2 C22 106.0(3) . . ?
C25 Si2 C22 108.8(4) . . ?
C25 Si2 C23 111.6(4) . . ?
C25 Si2 C24 110.9(4) . . ?
S1 O2 Rh2 120.2(3) . . ?
Si1 C4 Rh2 135.8(4) . . ?
C5 C4 Rh2 71.5(4) . . ?
C5 C4 Si1 151.2(5) . . ?
C4 C5 Rh2 75.2(4) . . ?
C4 C5 C6 167.1(7) . . ?
C6 C5 Rh2 112.4(4) . . ?
C5 C6 Rh1 96.7(4) . . ?
C5 C6 C7 117.4(6) . . ?
C5 C6 C20 110.6(6) . . ?
C7 C6 Rh1 122.0(5) . . ?
C20 C6 Rh1 72.1(4) . . ?
C20 C6 C7 126.3(6) . . ?
C8 C7 C6 119.2(6) . . ?
C8 C7 C12 119.3(6) . . ?
C12 C7 C6 121.5(6) . . ?
C9 C8 C7 121.1(7) . . ?
C10 C9 C8 119.1(7) . . ?
C11 C10 C9 120.5(6) . . ?
C10 C11 C12 121.6(7) . . ?
C7 C12 C13 121.5(6) . . ?
C11 C12 C7 118.4(6) . . ?
C11 C12 C13 120.0(6) . . ?
C12 C13 P1 112.9(4) . . ?
C12 C13 C14 112.2(6) . . ?
C14 C13 P1 108.3(4) . . ?
C15 C14 C13 118.9(6) . . ?
C15 C14 C19 119.3(7) . . ?
C19 C14 C13 121.8(6) . . ?
C16 C15 C14 120.2(7) . . ?
C17 C16 C15 120.9(7) . . ?
C16 C17 C18 119.0(8) . . ?
C19 C18 C17 121.2(7) . . ?
C14 C19 C20 121.1(6) . . ?
C18 C19 C14 119.3(6) . . ?
C18 C19 C20 119.6(6) . . ?
C6 C20 Rh1 67.1(4) . . ?
C6 C20 C19 124.5(6) . . ?
C19 C20 Rh1 125.7(5) . . ?
C21 C20 Rh1 101.4(4) . . ?
C21 C20 C6 111.5(6) . . ?
C21 C20 C19 116.2(6) . . ?
C20 C21 Rh2 106.5(5) . . ?
C22 C21 Rh2 74.7(4) . . ?
C22 C21 C20 175.9(7) . . ?
Si2 C22 Rh2 118.0(3) . . ?
C21 C22 Rh2 74.3(5) . . ?
C21 C22 Si2 167.6(6) . . ?
C27 C26 P1 120.6(5) . . ?
C31 C26 P1 120.0(6) . . ?
C31 C26 C27 119.4(7) . . ?
C26 C27 C28 119.8(7) . . ?
C29 C28 C27 120.5(7) . . ?
C28 C29 C30 120.0(7) . . ?
C29 C30 C31 120.0(7) . . ?
C26 C31 C30 120.2(7) . . ?
C33 C32 P1 121.2(6) . . ?
C33 C32 C37 119.5(7) . . ?
C37 C32 P1 119.3(6) . . ?
C32 C33 C34 120.3(8) . . ?
C33 C34 C35 120.8(8) . . ?
C36 C35 C34 117.7(8) . . ?
C35 C36 C37 122.0(8) . . ?
C36 C37 C32 119.7(8) . . ?
C39 C38 P2 121.9(6) . . ?
C39 C38 C43 118.9(7) . . ?
C43 C38 P2 119.1(6) . . ?
C38 C39 C40 119.6(8) . . ?
C41 C40 C39 120.7(9) . . ?
C40 C41 C42 120.1(8) . . ?
C43 C42 C41 119.4(8) . . ?
C42 C43 C38 121.2(8) . . ?
C45 C44 P2 118.5(6) . . ?
C49 C44 P2 122.6(5) . . ?
C49 C44 C45 118.9(7) . . ?
C46 C45 C44 118.8(8) . . ?
C47 C46 C45 121.7(8) . . ?
C46 C47 C48 120.0(8) . . ?
C49 C48 C47 118.7(8) . . ?
C48 C49 C44 121.9(7) . . ?
P2 C50 P3 113.0(3) . . ?
C52 C51 P3 121.6(5) . . ?
C52 C51 C56 118.3(7) . . ?
C56 C51 P3 120.0(5) . . ?
C53 C52 C51 121.2(7) . . ?
C52 C53 C54 119.8(7) . . ?
C55 C54 C53 118.6(8) . . ?
C54 C55 C56 121.9(8) . . ?
C55 C56 C51 120.3(7) . . ?
C59 C58 P3 122.6(6) . . ?
C63 C58 P3 117.2(5) . . ?
C63 C58 C59 120.0(7) . . ?
C58 C59 C60 118.4(8) . . ?
C61 C60 C59 122.0(7) . . ?
C60 C61 C62 119.5(7) . . ?
C61 C62 C63 119.8(8) . . ?
C58 C63 C62 120.2(7) . . ?
F1 C64 S1 110.4(6) . . ?
F2 C64 S1 110.5(6) . . ?
F2 C64 F1 109.7(7) . . ?
F2 C64 F3 108.9(8) . . ?
F3 C64 S1 109.5(6) . . ?
F3 C64 F1 107.8(7) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_pjmonorh_1_0m
_database_code_depnum_ccdc_archive 'CCDC 1919534'
loop_
_audit_author_name
_audit_author_address
'Pascal Jurt'
;ETH Zurich
Switzerland
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-07-08 downloaded from the CCDC.
;
_audit_creation_date             2019-02-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.5(C55 H53 P2 Rh Si2), 0.5(C F3 O3 S), 0.5(C4 H7.03 O), 0.74(C4 H8 O)'
_chemical_formula_sum            'C32.95 H34.41 F1.50 O2.74 P Rh0.50 S0.50 Si'
_chemical_formula_weight         629.29
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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'
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'
S S 0.1246 0.1234 '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'

_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                   13.5229(13)
_cell_length_b                   14.4511(13)
_cell_length_c                   16.9413(16)
_cell_angle_alpha                82.096(2)
_cell_angle_beta                 83.193(2)
_cell_angle_gamma                72.058(2)
_cell_volume                     3109.6(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9328
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.956
_shelx_estimated_absorpt_T_min   0.914
_exptl_absorpt_coefficient_mu    0.456
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1308
_exptl_crystal_recrystallization_method 'Cryst THF layer hexane'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_unetI/netI     0.0353
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            76568
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.102
_diffrn_reflns_theta_min         1.490
_diffrn_ambient_temperature      100.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                10722
_reflns_number_total             13682
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.955
_refine_diff_density_min         -1.171
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     765
_refine_ls_number_reflns         13682
_refine_ls_number_restraints     68
_refine_ls_R_factor_all          0.0682
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.056
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0618P)²+4.9822P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1120
_refine_ls_wR_factor_ref         0.1303
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H5AA,HE,HF} of C01Z, All C(H,H) groups, All C(H,H,H,H)
  groups
 At 1.5 times of:
  {H01A,H01B,H01C} of C017, {H2AA,H,HA} of C01V, {H01J,H01K,H01L} of C01H,
  {H3AA,HB,HC} of C01W, {H01V,H01W,H01X} of C01P, {H01M,H01N,H01O} of C01I
2. Restrained distances
 O01Y-C022
 1.42 with sigma of 0.001
 O01Y-C026
 1.42 with sigma of 0.001
 C1_1-C2_1 \\sim C2_1-C3_1 \\sim C3_1-C4_1
 with sigma of 0.02
 O1_1-C1_1 \\sim O1_1-C4_1
 with sigma of 0.02
 O1_1-C2_1 \\sim O1_1-C3_1
 with sigma of 0.04
 C2_1-C4_1 \\sim C1_1-C3_1
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
O1_1 \\sim C1_1 \\sim C2_1 \\sim C3_1 \\sim C4_1: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08
4. Rigid body (RIGU) restrains
 O1_1, C1_1, C2_1, C3_1, C4_1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Sof(HF)=Sof(H02C)=Sof(H02D)=Sof(C029)=Sof(H029)=1-FVAR(1)
 Sof(H5AA)=Sof(HE)=Sof(H02A)=Sof(H02B)=Sof(C028)=Sof(H02E)=Sof(H02F)=FVAR(1)
 Sof(O1)=Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=
 Sof(H3B)=Sof(C4)=Sof(H4A)=Sof(H4B)=0.5*FVAR(3)
6.a Ternary CH refined with riding coordinates:
 C00S(H00S)
6.b Secondary CH2 refined with riding coordinates:
 C01X(H4AA,HD), C01Z(H5AA,HE), C021(H02A,H02B), C021(H02C,H02D), C022(H02G,
 H02H), C023(H02I,H02J), C024(H02K,H02L), C026(H02M,H02N), C028(H02E,H02F),
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B)
6.c Aromatic/amide H refined with riding coordinates:
 C00L(H00L), C00N(H00N), C00P(H00P), C00R(H00R), C00T(H00T), C00W(H00W),
 C00X(H00X), C00Y(H00Y), C00Z(H00Z), C011(H011), C012(H012), C013(H013),
 C014(H014), C015(H015), C016(H016), C018(H018), C019(H019), C01A(H01D),
 C01C(H01E), C01D(H01F), C01E(H01G), C01F(H01H), C01G(H01I), C01J(H01P),
 C01K(H01Q), C01L(H01R), C01M(H01S), C01N(H01T), C01O(H01U), C01Q(H01Y),
 C01R(H01Z), C01S(H01), C01T(H0AA), C01U(H1AA), C01Z(HF), C029(H029)
6.d Idealised Me refined as rotating group:
 C017(H01A,H01B,H01C), C01H(H01J,H01K,H01L), C01I(H01M,H01N,H01O), C01P(H01V,
 H01W,H01X), C01V(H2AA,H,HA), C01W(H3AA,HB,HC)
;
_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 0.36462(2) 0.21481(2) 0.75064(2) 0.02155(8) Uani 1 1 d . . . . .
P002 P 0.22868(5) 0.33140(5) 0.70814(4) 0.02048(15) Uani 1 1 d . . . . .
P003 P 0.48165(6) 0.22502(6) 0.64051(4) 0.02206(16) Uani 1 1 d . . . . .
Si2 Si 0.64334(6) 0.09738(7) 0.88569(5) 0.02817(19) Uani 1 1 d . . . . .
S005 S -0.15164(7) 0.59177(7) 0.74599(5) 0.0401(2) Uani 1 1 d . . . . .
Si1 Si 0.42338(7) -0.16113(6) 0.79509(5) 0.02939(19) Uani 1 1 d . . . . .
O007 O -0.1338(2) 0.5350(2) 0.68019(16) 0.0467(6) Uani 1 1 d . . . . .
O008 O -0.0978(2) 0.5418(2) 0.81469(16) 0.0565(8) Uani 1 1 d . . . . .
F009 F -0.1242(2) 0.7365(2) 0.64369(17) 0.0733(8) Uani 1 1 d . . . . .
C00A C 0.2539(2) 0.1501(2) 0.83120(17) 0.0222(6) Uani 1 1 d . . . . .
O00B O -0.2580(2) 0.6472(3) 0.76193(18) 0.0693(10) Uani 1 1 d . . . . .
C00C C 0.3112(2) 0.0523(2) 0.81610(18) 0.0250(6) Uani 1 1 d . . . . .
C00D C 0.4383(2) 0.2936(2) 0.54645(17) 0.0241(6) Uani 1 1 d . . . . .
C00E C 0.2497(2) 0.4494(2) 0.67412(18) 0.0241(6) Uani 1 1 d . . . . .
O00F O -0.0460(3) 0.9006(2) 0.9165(2) 0.0689(9) Uani 1 1 d . . . . .
C00G C 0.1490(2) 0.3101(2) 0.63753(17) 0.0249(6) Uani 1 1 d . . . . .
C00H C 0.4116(2) 0.1648(2) 0.87488(17) 0.0225(6) Uani 1 1 d . . . . .
C00I C 0.3019(2) 0.2040(2) 0.87161(16) 0.0225(6) Uani 1 1 d . . . . .
C00J C 0.1669(2) 0.3684(2) 0.87267(18) 0.0247(6) Uani 1 1 d . . . . .
C00K C 0.5803(2) 0.2766(2) 0.66399(18) 0.0285(7) Uani 1 1 d . . . . .
C00L C 0.0674(2) 0.3847(3) 0.60658(19) 0.0329(7) Uani 1 1 d . . . . .
H00L H 0.055333 0.449466 0.619333 0.040 Uiso 1 1 calc R . . . .
F00M F 0.0150(2) 0.6428(3) 0.6936(2) 0.0968(11) Uani 1 1 d . . . . .
C00N C 0.4763(2) 0.3691(2) 0.50833(18) 0.0275(6) Uani 1 1 d . . . . .
H00N H 0.527232 0.387254 0.531677 0.033 Uiso 1 1 calc R . . . .
C00O C 0.5576(2) 0.1054(2) 0.60950(18) 0.0273(6) Uani 1 1 d . . . . .
C00P C 0.2451(2) 0.4898(2) 0.59523(19) 0.0295(7) Uani 1 1 d . . . . .
H00P H 0.229105 0.455976 0.556508 0.035 Uiso 1 1 calc R . . . .
C00Q C 0.0790(2) 0.2751(2) 0.80975(17) 0.0247(6) Uani 1 1 d . . . . .
C00R C 0.1629(2) 0.2147(3) 0.62227(19) 0.0307(7) Uani 1 1 d . . . . .
H00R H 0.217036 0.162482 0.645123 0.037 Uiso 1 1 calc R . . . .
C00S C 0.1282(2) 0.3563(2) 0.79569(17) 0.0233(6) Uani 1 1 d . . . . .
H00S H 0.072746 0.418129 0.780008 0.028 Uiso 1 1 calc R . . . .
C00T C 0.5057(2) 0.1385(2) 0.85926(18) 0.0266(6) Uani 1 1 d . . . . .
H00T H 0.512533 0.139468 0.802708 0.032 Uiso 1 1 calc R . . . .
C00U C 0.1391(2) 0.1781(2) 0.82686(17) 0.0242(6) Uani 1 1 d . . . . .
C00V C 0.2466(2) 0.2943(2) 0.90934(17) 0.0232(6) Uani 1 1 d . . . . .
C00W C 0.2268(3) 0.3883(3) 1.02045(19) 0.0331(7) Uani 1 1 d . . . . .
H00W H 0.246238 0.394700 1.071030 0.040 Uiso 1 1 calc R . . . .
C00X C 0.2767(2) 0.3055(2) 0.98255(18) 0.0275(6) Uani 1 1 d . . . . .
H00X H 0.332001 0.255709 1.006583 0.033 Uiso 1 1 calc R . . . .
C00Y C 0.4397(3) 0.4176(2) 0.43633(18) 0.0292(7) Uani 1 1 d . . . . .
H00Y H 0.466592 0.468219 0.409956 0.035 Uiso 1 1 calc R . . . .
C00Z C 0.1482(3) 0.4618(2) 0.9841(2) 0.0335(7) Uani 1 1 d . . . . .
H00Z H 0.114217 0.519081 1.009710 0.040 Uiso 1 1 calc R . . . .
C010 C 0.3537(2) -0.0310(2) 0.80395(18) 0.0279(6) Uani 1 1 d . . . . .
C011 C 0.3647(2) 0.2672(2) 0.51072(18) 0.0256(6) Uani 1 1 d . . . . .
H011 H 0.339904 0.214705 0.535622 0.031 Uiso 1 1 calc R . . . .
C012 C -0.0274(2) 0.2959(3) 0.8040(2) 0.0331(7) Uani 1 1 d . . . . .
H012 H -0.068672 0.361485 0.791325 0.040 Uiso 1 1 calc R . . . .
C013 C 0.1186(2) 0.4525(2) 0.91089(19) 0.0296(7) Uani 1 1 d . . . . .
H013 H 0.065093 0.503814 0.886373 0.036 Uiso 1 1 calc R . . . .
C014 C 0.6917(3) -0.0712(2) 0.5669(2) 0.0341(7) Uani 1 1 d . . . . .
H014 H 0.738937 -0.131362 0.552652 0.041 Uiso 1 1 calc R . . . .
C015 C 0.3641(2) 0.3930(2) 0.40235(19) 0.0302(7) Uani 1 1 d . . . . .
H015 H 0.337394 0.428138 0.353974 0.036 Uiso 1 1 calc R . . . .
C016 C 0.2754(3) 0.4986(2) 0.7301(2) 0.0340(7) Uani 1 1 d . . . . .
H016 H 0.279528 0.471173 0.784352 0.041 Uiso 1 1 calc R . . . .
C017 C 0.6645(3) 0.2080(3) 0.9163(2) 0.0422(8) Uani 1 1 d . . . . .
H01A H 0.660113 0.257630 0.870074 0.063 Uiso 1 1 calc GR . . . .
H01B H 0.733527 0.190657 0.936475 0.063 Uiso 1 1 calc GR . . . .
H01C H 0.610849 0.234184 0.958402 0.063 Uiso 1 1 calc GR . . . .
C018 C 0.3276(3) 0.3167(2) 0.43945(19) 0.0316(7) Uani 1 1 d . . . . .
H018 H 0.277045 0.298513 0.415801 0.038 Uiso 1 1 calc R . . . .
C019 C 0.6829(3) 0.2477(3) 0.6303(2) 0.0416(9) Uani 1 1 d . . . . .
H019 H 0.704156 0.197506 0.595636 0.050 Uiso 1 1 calc R . . . .
C01A C 0.0915(3) 0.1040(3) 0.8402(2) 0.0354(7) Uani 1 1 d . . . . .
H01D H 0.132289 0.037998 0.851866 0.042 Uiso 1 1 calc R . . . .
F01B F -0.0975(4) 0.7452(2) 0.7634(2) 0.1192(16) Uani 1 1 d . . . . .
C01C C 0.5797(2) 0.0244(2) 0.66548(19) 0.0292(7) Uani 1 1 d . . . . .
H01E H 0.548056 0.028975 0.718519 0.035 Uiso 1 1 calc R . . . .
C01D C 0.2636(3) 0.5792(2) 0.5722(2) 0.0368(8) Uani 1 1 d . . . . .
H01F H 0.259983 0.606527 0.517953 0.044 Uiso 1 1 calc R . . . .
C01E C 0.5508(3) 0.3501(3) 0.7144(2) 0.0357(8) Uani 1 1 d . . . . .
H01G H 0.481463 0.369433 0.738423 0.043 Uiso 1 1 calc R . . . .
C01F C 0.0026(3) 0.3660(3) 0.5569(2) 0.0421(9) Uani 1 1 d . . . . .
H01H H -0.052256 0.417951 0.534652 0.050 Uiso 1 1 calc R . . . .
C01G C 0.6480(3) -0.0638(2) 0.6444(2) 0.0321(7) Uani 1 1 d . . . . .
H01I H 0.664558 -0.119074 0.683351 0.038 Uiso 1 1 calc R . . . .
C01H C 0.4397(3) -0.1819(3) 0.6883(2) 0.0442(9) Uani 1 1 d . . . . .
H01J H 0.371013 -0.165389 0.667575 0.066 Uiso 1 1 calc GR . . . .
H01K H 0.477300 -0.250728 0.682740 0.066 Uiso 1 1 calc GR . . . .
H01L H 0.479465 -0.140405 0.657892 0.066 Uiso 1 1 calc GR . . . .
C01I C 0.5467(3) -0.1855(3) 0.8429(2) 0.0404(8) Uani 1 1 d . . . . .
H01M H 0.580719 -0.135480 0.821185 0.061 Uiso 1 1 calc GR . . . .
H01N H 0.593089 -0.250162 0.832037 0.061 Uiso 1 1 calc GR . . . .
H01O H 0.531414 -0.183593 0.900784 0.061 Uiso 1 1 calc GR . . . .
C01J C 0.2949(3) 0.5881(3) 0.7067(2) 0.0379(8) Uani 1 1 d . . . . .
H01P H 0.313346 0.621201 0.744725 0.045 Uiso 1 1 calc R . . . .
C01K C 0.2874(3) 0.6285(3) 0.6281(2) 0.0420(9) Uani 1 1 d . . . . .
H01Q H 0.298556 0.690446 0.612476 0.050 Uiso 1 1 calc R . . . .
C01L C 0.0971(3) 0.1960(3) 0.5734(2) 0.0405(8) Uani 1 1 d . . . . .
H01R H 0.106400 0.130860 0.562790 0.049 Uiso 1 1 calc R . . . .
C01M C 0.6002(3) 0.0966(3) 0.5313(2) 0.0431(9) Uani 1 1 d . . . . .
H01S H 0.583510 0.151418 0.491989 0.052 Uiso 1 1 calc R . . . .
C01N C -0.0737(3) 0.2210(3) 0.8166(2) 0.0456(10) Uani 1 1 d . . . . .
H01T H -0.146251 0.235283 0.811408 0.055 Uiso 1 1 calc R . . . .
C01O C -0.0148(3) 0.1261(3) 0.8366(3) 0.0445(9) Uani 1 1 d . . . . .
H01U H -0.047358 0.075661 0.848049 0.053 Uiso 1 1 calc R . . . .
C01P C 0.6478(3) 0.0030(3) 0.9726(2) 0.0402(8) Uani 1 1 d . . . . .
H01V H 0.594965 0.030310 1.014811 0.060 Uiso 1 1 calc GR . . . .
H01W H 0.717005 -0.017361 0.992851 0.060 Uiso 1 1 calc GR . . . .
H01X H 0.633621 -0.053651 0.955874 0.060 Uiso 1 1 calc GR . . . .
C01Q C 0.6672(3) 0.0080(3) 0.5105(2) 0.0472(10) Uani 1 1 d . . . . .
H01Y H 0.696210 0.002174 0.456925 0.057 Uiso 1 1 calc R . . . .
C01R C 0.0183(3) 0.2719(3) 0.5402(2) 0.0468(10) Uani 1 1 d . . . . .
H01Z H -0.025222 0.259069 0.505667 0.056 Uiso 1 1 calc R . . . .
C01S C 0.7239(3) 0.3658(3) 0.6950(3) 0.0585(13) Uani 1 1 d . . . . .
H01 H 0.772929 0.397256 0.704516 0.070 Uiso 1 1 calc R . . . .
C01T C 0.6227(3) 0.3956(3) 0.7298(2) 0.0489(10) Uani 1 1 d . . . . .
H0AA H 0.602478 0.446482 0.763832 0.059 Uiso 1 1 calc R . . . .
C01U C 0.7535(3) 0.2923(3) 0.6475(3) 0.0543(12) Uani 1 1 d . . . . .
H1AA H 0.823801 0.271076 0.625637 0.065 Uiso 1 1 calc R . . . .
C01V C 0.7377(3) 0.0469(3) 0.8031(2) 0.0410(8) Uani 1 1 d . . . . .
H2AA H 0.718980 -0.006550 0.784773 0.061 Uiso 1 1 calc GR . . . .
H H 0.807862 0.021912 0.821781 0.061 Uiso 1 1 calc GR . . . .
HA H 0.736318 0.098413 0.758711 0.061 Uiso 1 1 calc GR . . . .
C01W C 0.3415(3) -0.2346(3) 0.8512(2) 0.0437(9) Uani 1 1 d . . . . .
H3AA H 0.322647 -0.215531 0.905594 0.065 Uiso 1 1 calc GR . . . .
HB H 0.380630 -0.304211 0.853587 0.065 Uiso 1 1 calc GR . . . .
HC H 0.277956 -0.222695 0.824032 0.065 Uiso 1 1 calc GR . . . .
C01X C -0.0945(3) 0.8263(3) 0.9364(3) 0.0529(10) Uani 1 1 d . . . . .
H4AA H -0.141128 0.828240 0.895004 0.063 Uiso 1 1 calc R . . . .
HD H -0.136507 0.834924 0.988374 0.063 Uiso 1 1 calc R . . . .
O01Y O 0.8250(3) 0.1027(4) 0.3753(3) 0.1099(15) Uani 1 1 d D . . . .
C01Z C -0.0087(4) 0.7302(4) 0.9415(4) 0.0712(15) Uani 1 1 d . . . . .
H5AA H 0.013246 0.705500 0.888596 0.085 Uiso 0.515(18) 1 calc R . P A 1
HE H -0.029468 0.679830 0.979677 0.085 Uiso 0.515(18) 1 calc R . P A 1
HF H -0.018644 0.668912 0.962201 0.085 Uiso 0.485(18) 1 calc R . P A 2
C020 C -0.0864(4) 0.6833(3) 0.7100(3) 0.0630(13) Uani 1 1 d . . . . .
C021 C 0.0587(4) 0.8609(4) 0.9350(4) 0.0817(18) Uani 1 1 d . . . . .
H02A H 0.074697 0.901371 0.971467 0.098 Uiso 0.515(18) 1 calc R . P A 1
H02B H 0.105468 0.861377 0.885439 0.098 Uiso 0.515(18) 1 calc R . P A 1
H02C H 0.066598 0.863737 0.991875 0.098 Uiso 0.485(18) 1 calc R . P A 2
H02D H 0.105065 0.893751 0.900520 0.098 Uiso 0.485(18) 1 calc R . P A 2
C022 C 0.8979(5) 0.1188(6) 0.4216(4) 0.111(2) Uani 1 1 d D . . . .
H02G H 0.882556 0.099104 0.478982 0.133 Uiso 1 1 calc R . . . .
H02H H 0.893918 0.188943 0.414950 0.133 Uiso 1 1 calc R . . . .
C023 C 0.9898(5) 0.0459(7) 0.3113(5) 0.114(3) Uani 1 1 d . . . . .
H02I H 1.034795 0.075832 0.272497 0.137 Uiso 1 1 calc R . . . .
H02J H 1.008174 -0.024521 0.304570 0.137 Uiso 1 1 calc R . . . .
C024 C 1.0036(6) 0.0589(7) 0.3932(5) 0.126(3) Uani 1 1 d . . . . .
H02K H 1.056049 0.093719 0.393808 0.151 Uiso 1 1 calc R . . . .
H02L H 1.025168 -0.004824 0.426381 0.151 Uiso 1 1 calc R . . . .
C026 C 0.8808(6) 0.0939(7) 0.2989(3) 0.127(3) Uani 1 1 d D . . . .
H02M H 0.872145 0.159379 0.269014 0.152 Uiso 1 1 calc R . . . .
H02N H 0.854183 0.054750 0.267769 0.152 Uiso 1 1 calc R . . . .
C028 C 0.0763(7) 0.7624(7) 0.9723(7) 0.050(3) Uani 0.515(18) 1 d . . P A 1
H02E H 0.068308 0.760481 1.031319 0.059 Uiso 0.515(18) 1 calc R . P A 1
H02F H 0.146773 0.720592 0.955721 0.059 Uiso 0.515(18) 1 calc R . P A 1
C029 C 0.0806(8) 0.7428(7) 0.9138(11) 0.070(6) Uani 0.485(18) 1 d . . P A 2
H029 H 0.140449 0.699465 0.889111 0.084 Uiso 0.485(18) 1 calc R . P A 2
O1_1 O 0.4896(5) 0.5226(5) 0.8720(4) 0.0592(18) Uani 0.483(5) 1 d D U P B -1
C1_1 C 0.4271(8) 0.4760(7) 0.9262(6) 0.063(3) Uani 0.483(5) 1 d D U P B -1
H1A_1 H 0.456795 0.403921 0.929446 0.076 Uiso 0.483(5) 1 calc R . P B -1
H1B_1 H 0.355044 0.494578 0.909919 0.076 Uiso 0.483(5) 1 calc R . P B -1
C2_1 C 0.4290(10) 0.5146(11) 1.0095(8) 0.077(4) Uani 0.483(5) 1 d D U P B -1
H2A_1 H 0.369317 0.573227 1.018685 0.093 Uiso 0.483(5) 1 calc R . P B -1
H2B_1 H 0.429352 0.463287 1.054761 0.093 Uiso 0.483(5) 1 calc R . P B -1
C3_1 C 0.5307(8) 0.5386(10) 0.9964(7) 0.068(3) Uani 0.483(5) 1 d D U P B -1
H3A_1 H 0.519837 0.606497 1.007930 0.082 Uiso 0.483(5) 1 calc R . P B -1
H3B_1 H 0.581259 0.493827 1.032706 0.082 Uiso 0.483(5) 1 calc R . P B -1
C4_1 C 0.5712(8) 0.5275(10) 0.9129(6) 0.078(3) Uani 0.483(5) 1 d D U P B -1
H4A_1 H 0.595567 0.584081 0.889370 0.093 Uiso 0.483(5) 1 calc R . P B -1
H4B_1 H 0.630513 0.467123 0.909553 0.093 Uiso 0.483(5) 1 calc R . P B -1


_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 P002 2.1929(8) . ?
Rh01 P003 2.3184(8) . ?
Rh01 C00A 2.237(3) . ?
Rh01 C00H 2.230(3) . ?
Rh01 C00I 2.128(3) . ?
P002 C00E 1.819(3) . ?
P002 C00G 1.816(3) . ?
P002 C00S 1.883(3) . ?
P003 C00D 1.815(3) . ?
P003 C00K 1.821(3) . ?
P003 C00O 1.830(3) . ?
Si2 C00T 1.861(3) . ?
Si2 C017 1.858(4) . ?
Si2 C01P 1.857(3) . ?
Si2 C01V 1.845(4) . ?
S005 O007 1.429(3) . ?
S005 O008 1.433(3) . ?
S005 O00B 1.429(3) . ?
S005 C020 1.808(5) . ?
Si1 C010 1.844(3) . ?
Si1 C01H 1.852(4) . ?
Si1 C01I 1.855(4) . ?
Si1 C01W 1.858(4) . ?
F009 C020 1.331(5) . ?
C00A C00C 1.429(4) . ?
C00A C00I 1.435(4) . ?
C00A C00U 1.487(4) . ?
C00C C010 1.197(4) . ?
C00D C00N 1.395(4) . ?
C00D C011 1.393(4) . ?
C00E C00P 1.383(4) . ?
C00E C016 1.394(4) . ?
O00F C01X 1.407(5) . ?
O00F C021 1.409(6) . ?
C00G C00L 1.380(4) . ?
C00G C00R 1.389(4) . ?
C00H C00I 1.420(4) . ?
C00H C00T 1.218(4) . ?
C00I C00V 1.478(4) . ?
C00J C00S 1.512(4) . ?
C00J C00V 1.400(4) . ?
C00J C013 1.396(4) . ?
C00K C019 1.395(5) . ?
C00K C01E 1.386(5) . ?
C00L H00L 0.9500 . ?
C00L C01F 1.390(5) . ?
F00M C020 1.327(6) . ?
C00N H00N 0.9500 . ?
C00N C00Y 1.385(4) . ?
C00O C01C 1.381(4) . ?
C00O C01M 1.387(5) . ?
C00P H00P 0.9500 . ?
C00P C01D 1.386(5) . ?
C00Q C00S 1.498(4) . ?
C00Q C00U 1.397(4) . ?
C00Q C012 1.389(4) . ?
C00R H00R 0.9500 . ?
C00R C01L 1.391(4) . ?
C00S H00S 1.0000 . ?
C00T H00T 0.9500 . ?
C00U C01A 1.391(4) . ?
C00V C00X 1.395(4) . ?
C00W H00W 0.9500 . ?
C00W C00X 1.383(4) . ?
C00W C00Z 1.384(5) . ?
C00X H00X 0.9500 . ?
C00Y H00Y 0.9500 . ?
C00Y C015 1.387(4) . ?
C00Z H00Z 0.9500 . ?
C00Z C013 1.383(5) . ?
C011 H011 0.9500 . ?
C011 C018 1.381(4) . ?
C012 H012 0.9500 . ?
C012 C01N 1.390(5) . ?
C013 H013 0.9500 . ?
C014 H014 0.9500 . ?
C014 C01G 1.378(5) . ?
C014 C01Q 1.369(5) . ?
C015 H015 0.9500 . ?
C015 C018 1.387(5) . ?
C016 H016 0.9500 . ?
C016 C01J 1.395(5) . ?
C017 H01A 0.9800 . ?
C017 H01B 0.9800 . ?
C017 H01C 0.9800 . ?
C018 H018 0.9500 . ?
C019 H019 0.9500 . ?
C019 C01U 1.381(5) . ?
C01A H01D 0.9500 . ?
C01A C01O 1.380(5) . ?
F01B C020 1.321(6) . ?
C01C H01E 0.9500 . ?
C01C C01G 1.388(4) . ?
C01D H01F 0.9500 . ?
C01D C01K 1.381(5) . ?
C01E H01G 0.9500 . ?
C01E C01T 1.396(5) . ?
C01F H01H 0.9500 . ?
C01F C01R 1.373(6) . ?
C01G H01I 0.9500 . ?
C01H H01J 0.9800 . ?
C01H H01K 0.9800 . ?
C01H H01L 0.9800 . ?
C01I H01M 0.9800 . ?
C01I H01N 0.9800 . ?
C01I H01O 0.9800 . ?
C01J H01P 0.9500 . ?
C01J C01K 1.380(5) . ?
C01K H01Q 0.9500 . ?
C01L H01R 0.9500 . ?
C01L C01R 1.381(6) . ?
C01M H01S 0.9500 . ?
C01M C01Q 1.384(5) . ?
C01N H01T 0.9500 . ?
C01N C01O 1.376(5) . ?
C01O H01U 0.9500 . ?
C01P H01V 0.9800 . ?
C01P H01W 0.9800 . ?
C01P H01X 0.9800 . ?
C01Q H01Y 0.9500 . ?
C01R H01Z 0.9500 . ?
C01S H01 0.9500 . ?
C01S C01T 1.387(7) . ?
C01S C01U 1.354(7) . ?
C01T H0AA 0.9500 . ?
C01U H1AA 0.9500 . ?
C01V H2AA 0.9800 . ?
C01V H 0.9800 . ?
C01V HA 0.9800 . ?
C01W H3AA 0.9800 . ?
C01W HB 0.9800 . ?
C01W HC 0.9800 . ?
C01X H4AA 0.9900 . ?
C01X HD 0.9900 . ?
C01X C01Z 1.510(6) . ?
O01Y C022 1.4194(10) . ?
O01Y C026 1.4192(10) . ?
C01Z H5AA 0.9900 . ?
C01Z HE 0.9900 . ?
C01Z HF 0.9500 . ?
C01Z C028 1.533(10) . ?
C01Z C029 1.299(11) . ?
C021 H02A 0.9900 . ?
C021 H02B 0.9900 . ?
C021 H02C 0.9900 . ?
C021 H02D 0.9900 . ?
C021 C028 1.436(9) . ?
C021 C029 1.721(13) . ?
C022 H02G 0.9900 . ?
C022 H02H 0.9900 . ?
C022 C024 1.488(10) . ?
C023 H02I 0.9900 . ?
C023 H02J 0.9900 . ?
C023 C024 1.465(10) . ?
C023 C026 1.450(10) . ?
C024 H02K 0.9900 . ?
C024 H02L 0.9900 . ?
C026 H02M 0.9900 . ?
C026 H02N 0.9900 . ?
C028 H02E 0.9900 . ?
C028 H02F 0.9900 . ?
C029 H029 0.9500 . ?
O1_1 C1_1 1.418(10) . ?
O1_1 C4_1 1.394(10) . ?
C1_1 H1A_1 0.9900 . ?
C1_1 H1B_1 0.9900 . ?
C1_1 C2_1 1.592(14) . ?
C2_1 H2A_1 0.9900 . ?
C2_1 H2B_1 0.9900 . ?
C2_1 C3_1 1.504(11) . ?
C3_1 H3A_1 0.9900 . ?
C3_1 H3B_1 0.9900 . ?
C3_1 C4_1 1.467(13) . ?
C4_1 H4A_1 0.9900 . ?
C4_1 H4B_1 0.9900 . ?

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
P002 Rh01 P003 98.54(3) . . ?
P002 Rh01 C00A 87.83(8) . . ?
P002 Rh01 C00H 129.58(8) . . ?
C00A Rh01 P003 155.57(8) . . ?
C00H Rh01 P003 123.73(8) . . ?
C00H Rh01 C00A 65.45(10) . . ?
C00I Rh01 P002 95.10(8) . . ?
C00I Rh01 P003 160.54(8) . . ?
C00I Rh01 C00A 38.27(11) . . ?
C00I Rh01 C00H 37.96(10) . . ?
C00E P002 Rh01 115.95(10) . . ?
C00E P002 C00S 104.34(14) . . ?
C00G P002 Rh01 120.88(11) . . ?
C00G P002 C00E 106.87(14) . . ?
C00G P002 C00S 98.91(13) . . ?
C00S P002 Rh01 107.31(9) . . ?
C00D P003 Rh01 121.39(10) . . ?
C00D P003 C00K 103.88(14) . . ?
C00D P003 C00O 102.22(14) . . ?
C00K P003 Rh01 110.82(11) . . ?
C00K P003 C00O 103.65(15) . . ?
C00O P003 Rh01 113.06(10) . . ?
C017 Si2 C00T 104.49(16) . . ?
C01P Si2 C00T 105.28(15) . . ?
C01P Si2 C017 110.56(18) . . ?
C01V Si2 C00T 113.29(15) . . ?
C01V Si2 C017 112.16(18) . . ?
C01V Si2 C01P 110.70(18) . . ?
O007 S005 O008 114.53(17) . . ?
O007 S005 O00B 114.23(18) . . ?
O007 S005 C020 103.1(2) . . ?
O008 S005 C020 102.9(2) . . ?
O00B S005 O008 115.66(18) . . ?
O00B S005 C020 104.1(2) . . ?
C010 Si1 C01H 108.73(17) . . ?
C010 Si1 C01I 105.28(16) . . ?
C010 Si1 C01W 107.76(16) . . ?
C01H Si1 C01I 115.02(18) . . ?
C01H Si1 C01W 109.17(18) . . ?
C01I Si1 C01W 110.57(18) . . ?
C00C C00A Rh01 93.25(18) . . ?
C00C C00A C00I 118.8(3) . . ?
C00C C00A C00U 116.3(2) . . ?
C00I C00A Rh01 66.72(15) . . ?
C00I C00A C00U 122.2(3) . . ?
C00U C00A Rh01 126.0(2) . . ?
C010 C00C C00A 176.2(3) . . ?
C00N C00D P003 123.3(2) . . ?
C011 C00D P003 117.5(2) . . ?
C011 C00D C00N 119.2(3) . . ?
C00P C00E P002 122.9(2) . . ?
C00P C00E C016 119.3(3) . . ?
C016 C00E P002 117.8(2) . . ?
C01X O00F C021 107.6(3) . . ?
C00L C00G P002 121.2(2) . . ?
C00L C00G C00R 119.5(3) . . ?
C00R C00G P002 118.8(2) . . ?
C00I C00H Rh01 67.13(15) . . ?
C00T C00H Rh01 98.1(2) . . ?
C00T C00H C00I 165.1(3) . . ?
C00A C00I Rh01 75.01(16) . . ?
C00A C00I C00V 125.5(3) . . ?
C00H C00I Rh01 74.92(16) . . ?
C00H C00I C00A 115.5(3) . . ?
C00H C00I C00V 119.0(3) . . ?
C00V C00I Rh01 119.39(19) . . ?
C00V C00J C00S 121.3(3) . . ?
C013 C00J C00S 119.8(3) . . ?
C013 C00J C00V 118.8(3) . . ?
C019 C00K P003 122.2(3) . . ?
C01E C00K P003 118.5(2) . . ?
C01E C00K C019 119.3(3) . . ?
C00G C00L H00L 119.7 . . ?
C00G C00L C01F 120.6(3) . . ?
C01F C00L H00L 119.7 . . ?
C00D C00N H00N 120.1 . . ?
C00Y C00N C00D 119.8(3) . . ?
C00Y C00N H00N 120.1 . . ?
C01C C00O P003 119.9(2) . . ?
C01C C00O C01M 119.4(3) . . ?
C01M C00O P003 120.5(3) . . ?
C00E C00P H00P 119.7 . . ?
C00E C00P C01D 120.5(3) . . ?
C01D C00P H00P 119.7 . . ?
C00U C00Q C00S 120.8(3) . . ?
C012 C00Q C00S 119.8(3) . . ?
C012 C00Q C00U 119.4(3) . . ?
C00G C00R H00R 120.1 . . ?
C00G C00R C01L 119.7(3) . . ?
C01L C00R H00R 120.1 . . ?
P002 C00S H00S 107.6 . . ?
C00J C00S P002 116.1(2) . . ?
C00J C00S H00S 107.6 . . ?
C00Q C00S P002 108.0(2) . . ?
C00Q C00S C00J 109.6(2) . . ?
C00Q C00S H00S 107.6 . . ?
Si2 C00T H00T 103.1 . . ?
C00H C00T Si2 153.8(3) . . ?
C00H C00T H00T 103.1 . . ?
C00Q C00U C00A 122.3(3) . . ?
C01A C00U C00A 118.0(3) . . ?
C01A C00U C00Q 119.8(3) . . ?
C00J C00V C00I 121.5(3) . . ?
C00X C00V C00I 118.5(3) . . ?
C00X C00V C00J 120.0(3) . . ?
C00X C00W H00W 120.3 . . ?
C00X C00W C00Z 119.5(3) . . ?
C00Z C00W H00W 120.3 . . ?
C00V C00X H00X 119.7 . . ?
C00W C00X C00V 120.6(3) . . ?
C00W C00X H00X 119.7 . . ?
C00N C00Y H00Y 119.7 . . ?
C00N C00Y C015 120.7(3) . . ?
C015 C00Y H00Y 119.7 . . ?
C00W C00Z H00Z 119.7 . . ?
C013 C00Z C00W 120.6(3) . . ?
C013 C00Z H00Z 119.7 . . ?
C00C C010 Si1 174.4(3) . . ?
C00D C011 H011 119.7 . . ?
C018 C011 C00D 120.6(3) . . ?
C018 C011 H011 119.7 . . ?
C00Q C012 H012 119.9 . . ?
C00Q C012 C01N 120.2(3) . . ?
C01N C012 H012 119.9 . . ?
C00J C013 H013 119.7 . . ?
C00Z C013 C00J 120.6(3) . . ?
C00Z C013 H013 119.7 . . ?
C01G C014 H014 119.9 . . ?
C01Q C014 H014 119.9 . . ?
C01Q C014 C01G 120.2(3) . . ?
C00Y C015 H015 120.2 . . ?
C018 C015 C00Y 119.6(3) . . ?
C018 C015 H015 120.2 . . ?
C00E C016 H016 120.0 . . ?
C00E C016 C01J 120.1(3) . . ?
C01J C016 H016 120.0 . . ?
Si2 C017 H01A 109.5 . . ?
Si2 C017 H01B 109.5 . . ?
Si2 C017 H01C 109.5 . . ?
H01A C017 H01B 109.5 . . ?
H01A C017 H01C 109.5 . . ?
H01B C017 H01C 109.5 . . ?
C011 C018 C015 120.1(3) . . ?
C011 C018 H018 120.0 . . ?
C015 C018 H018 120.0 . . ?
C00K C019 H019 120.1 . . ?
C01U C019 C00K 119.8(4) . . ?
C01U C019 H019 120.1 . . ?
C00U C01A H01D 119.9 . . ?
C01O C01A C00U 120.2(3) . . ?
C01O C01A H01D 119.9 . . ?
C00O C01C H01E 119.9 . . ?
C00O C01C C01G 120.1(3) . . ?
C01G C01C H01E 119.9 . . ?
C00P C01D H01F 120.0 . . ?
C01K C01D C00P 120.0(3) . . ?
C01K C01D H01F 120.0 . . ?
C00K C01E H01G 119.9 . . ?
C00K C01E C01T 120.1(4) . . ?
C01T C01E H01G 119.9 . . ?
C00L C01F H01H 120.1 . . ?
C01R C01F C00L 119.7(3) . . ?
C01R C01F H01H 120.1 . . ?
C014 C01G C01C 119.9(3) . . ?
C014 C01G H01I 120.0 . . ?
C01C C01G H01I 120.0 . . ?
Si1 C01H H01J 109.5 . . ?
Si1 C01H H01K 109.5 . . ?
Si1 C01H H01L 109.5 . . ?
H01J C01H H01K 109.5 . . ?
H01J C01H H01L 109.5 . . ?
H01K C01H H01L 109.5 . . ?
Si1 C01I H01M 109.5 . . ?
Si1 C01I H01N 109.5 . . ?
Si1 C01I H01O 109.5 . . ?
H01M C01I H01N 109.5 . . ?
H01M C01I H01O 109.5 . . ?
H01N C01I H01O 109.5 . . ?
C016 C01J H01P 120.1 . . ?
C01K C01J C016 119.9(3) . . ?
C01K C01J H01P 120.1 . . ?
C01D C01K H01Q 119.9 . . ?
C01J C01K C01D 120.2(3) . . ?
C01J C01K H01Q 119.9 . . ?
C00R C01L H01R 119.9 . . ?
C01R C01L C00R 120.1(3) . . ?
C01R C01L H01R 119.9 . . ?
C00O C01M H01S 120.0 . . ?
C01Q C01M C00O 120.0(3) . . ?
C01Q C01M H01S 120.0 . . ?
C012 C01N H01T 119.9 . . ?
C01O C01N C012 120.1(3) . . ?
C01O C01N H01T 119.9 . . ?
C01A C01O H01U 119.9 . . ?
C01N C01O C01A 120.3(3) . . ?
C01N C01O H01U 119.9 . . ?
Si2 C01P H01V 109.5 . . ?
Si2 C01P H01W 109.5 . . ?
Si2 C01P H01X 109.5 . . ?
H01V C01P H01W 109.5 . . ?
H01V C01P H01X 109.5 . . ?
H01W C01P H01X 109.5 . . ?
C014 C01Q C01M 120.3(3) . . ?
C014 C01Q H01Y 119.9 . . ?
C01M C01Q H01Y 119.9 . . ?
C01F C01R C01L 120.3(3) . . ?
C01F C01R H01Z 119.9 . . ?
C01L C01R H01Z 119.9 . . ?
C01T C01S H01 119.7 . . ?
C01U C01S H01 119.7 . . ?
C01U C01S C01T 120.5(4) . . ?
C01E C01T H0AA 120.4 . . ?
C01S C01T C01E 119.3(4) . . ?
C01S C01T H0AA 120.4 . . ?
C019 C01U H1AA 119.5 . . ?
C01S C01U C019 120.9(4) . . ?
C01S C01U H1AA 119.5 . . ?
Si2 C01V H2AA 109.5 . . ?
Si2 C01V H 109.5 . . ?
Si2 C01V HA 109.5 . . ?
H2AA C01V H 109.5 . . ?
H2AA C01V HA 109.5 . . ?
H C01V HA 109.5 . . ?
Si1 C01W H3AA 109.5 . . ?
Si1 C01W HB 109.5 . . ?
Si1 C01W HC 109.5 . . ?
H3AA C01W HB 109.5 . . ?
H3AA C01W HC 109.5 . . ?
HB C01W HC 109.5 . . ?
O00F C01X H4AA 110.3 . . ?
O00F C01X HD 110.3 . . ?
O00F C01X C01Z 106.9(4) . . ?
H4AA C01X HD 108.6 . . ?
C01Z C01X H4AA 110.3 . . ?
C01Z C01X HD 110.3 . . ?
C026 O01Y C022 102.1(6) . . ?
C01X C01Z H5AA 111.8 . . ?
C01X C01Z HE 111.8 . . ?
C01X C01Z HF 124.6 . . ?
C01X C01Z C028 99.9(5) . . ?
H5AA C01Z HE 109.5 . . ?
C028 C01Z H5AA 111.8 . . ?
C028 C01Z HE 111.8 . . ?
C029 C01Z C01X 110.8(6) . . ?
C029 C01Z HF 124.6 . . ?
F009 C020 S005 111.9(3) . . ?
F00M C020 S005 111.4(3) . . ?
F00M C020 F009 107.3(5) . . ?
F01B C020 S005 111.5(4) . . ?
F01B C020 F009 106.7(4) . . ?
F01B C020 F00M 107.7(4) . . ?
O00F C021 H02A 109.6 . . ?
O00F C021 H02B 109.6 . . ?
O00F C021 H02C 111.9 . . ?
O00F C021 H02D 111.9 . . ?
O00F C021 C028 110.1(5) . . ?
O00F C021 C029 99.4(6) . . ?
H02A C021 H02B 108.2 . . ?
H02C C021 H02D 109.6 . . ?
C028 C021 H02A 109.6 . . ?
C028 C021 H02B 109.6 . . ?
C029 C021 H02C 111.9 . . ?
C029 C021 H02D 111.9 . . ?
O01Y C022 H02G 110.2 . . ?
O01Y C022 H02H 110.2 . . ?
O01Y C022 C024 107.5(5) . . ?
H02G C022 H02H 108.5 . . ?
C024 C022 H02G 110.2 . . ?
C024 C022 H02H 110.2 . . ?
H02I C023 H02J 108.6 . . ?
C024 C023 H02I 110.4 . . ?
C024 C023 H02J 110.4 . . ?
C026 C023 H02I 110.4 . . ?
C026 C023 H02J 110.4 . . ?
C026 C023 C024 106.5(6) . . ?
C022 C024 H02K 111.2 . . ?
C022 C024 H02L 111.2 . . ?
C023 C024 C022 102.8(6) . . ?
C023 C024 H02K 111.2 . . ?
C023 C024 H02L 111.2 . . ?
H02K C024 H02L 109.1 . . ?
O01Y C026 C023 107.5(6) . . ?
O01Y C026 H02M 110.2 . . ?
O01Y C026 H02N 110.2 . . ?
C023 C026 H02M 110.2 . . ?
C023 C026 H02N 110.2 . . ?
H02M C026 H02N 108.5 . . ?
C01Z C028 H02E 111.2 . . ?
C01Z C028 H02F 111.2 . . ?
C021 C028 C01Z 102.8(6) . . ?
C021 C028 H02E 111.2 . . ?
C021 C028 H02F 111.2 . . ?
H02E C028 H02F 109.1 . . ?
C01Z C029 C021 99.5(8) . . ?
C01Z C029 H029 130.2 . . ?
C021 C029 H029 130.2 . . ?
C4_1 O1_1 C1_1 107.6(8) . . ?
O1_1 C1_1 H1A_1 110.9 . . ?
O1_1 C1_1 H1B_1 110.9 . . ?
O1_1 C1_1 C2_1 104.0(7) . . ?
H1A_1 C1_1 H1B_1 109.0 . . ?
C2_1 C1_1 H1A_1 110.9 . . ?
C2_1 C1_1 H1B_1 111.0 . . ?
C1_1 C2_1 H2A_1 111.7 . . ?
C1_1 C2_1 H2B_1 111.7 . . ?
H2A_1 C2_1 H2B_1 109.4 . . ?
C3_1 C2_1 C1_1 100.5(8) . . ?
C3_1 C2_1 H2A_1 111.7 . . ?
C3_1 C2_1 H2B_1 111.7 . . ?
C2_1 C3_1 H3A_1 110.0 . . ?
C2_1 C3_1 H3B_1 110.0 . . ?
H3A_1 C3_1 H3B_1 108.4 . . ?
C4_1 C3_1 C2_1 108.3(8) . . ?
C4_1 C3_1 H3A_1 110.0 . . ?
C4_1 C3_1 H3B_1 110.0 . . ?
O1_1 C4_1 C3_1 107.0(8) . . ?
O1_1 C4_1 H4A_1 110.3 . . ?
O1_1 C4_1 H4B_1 110.3 . . ?
C3_1 C4_1 H4A_1 110.3 . . ?
C3_1 C4_1 H4B_1 110.3 . . ?
H4A_1 C4_1 H4B_1 108.6 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_pjxr1
_database_code_depnum_ccdc_archive 'CCDC 1919543'
loop_
_audit_author_name
_audit_author_address
'Pascal Jurt'
;ETH Zurich
Switzerland
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-07-08 downloaded from the CCDC.
;
_audit_creation_date             2019-05-28
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         
'0.25(C94 H108.99 N10 P2 Rh4 Si4), 0.5(C47 H56 N5 P Rh2 Si2), 2(C F3 O3 S), 0.88(C7 H8), 0.38(C2 H3 N)'
_chemical_formula_sum            'C55.88 H63.37 F6 N5.38 O6 P Rh2 S2 Si2'
_chemical_formula_weight         1377.33
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
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'
S S 0.1246 0.1234 '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'

_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                   12.7709(7)
_cell_length_b                   23.1638(13)
_cell_length_c                   24.3054(14)
_cell_angle_alpha                116.325(2)
_cell_angle_beta                 96.234(2)
_cell_angle_gamma                102.612(2)
_cell_volume                     6113.0(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9938
_cell_measurement_temperature    108(2)
_cell_measurement_theta_max      26.34
_cell_measurement_theta_min      2.28
_shelx_estimated_absorpt_T_max   0.985
_shelx_estimated_absorpt_T_min   0.791
_exptl_absorpt_coefficient_mu    0.744
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2813
_exptl_crystal_recrystallization_method 'from cold Toluene/Acetonitrile'
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1347
_diffrn_reflns_av_unetI/netI     0.0640
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            246112
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.502
_diffrn_reflns_theta_min         2.217
_diffrn_ambient_temperature      108.1
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 8.33
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device       'fixed chi three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                17985
_reflns_number_total             25231
_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       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_refine_diff_density_max         3.238
_refine_diff_density_min         -2.081
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1136
_refine_ls_number_reflns         25231
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1501
_refine_ls_R_factor_gt           0.1086
_refine_ls_restrained_S_all      1.070
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1225P)²+107.3760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2679
_refine_ls_wR_factor_ref         0.2987
_refine_special_details          
;
The asymmetric unit contains two independent complex molecules, one of them showing strong disorder.  Also the counter ions and the solvent molecules are strongly disordered. Three of the four triflate ions are disordered over two or three positions, respectively. 
One toluene molecule is disorderd over an inversion center, another one over two sites (63:37)  and the third one is described as a mixed occupancy of acetonitrile and toluene, disordered over the second set of inversion centers. 
In addition, one acetonitrile position is disordered over two sites. Regarding the disorder, it is not surprising that all crystals investigated, 
showed weak diffraction intensities at higher angles.
;
_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. Uiso/Uaniso restraints and constraints
Uiso(F7) = Uiso(F1) = Uiso(F8) = Uiso(C1) = Uiso(O4) = Uiso(O5) = Uiso(S2) =
Uiso(O1)
Uiso(O2) = Uiso(S3) = Uiso(O3) = Uiso(O6) = Uiso(C6) = Uiso(F9) = Uiso(F3) =
Uiso(F2)
Uiso(O8) = Uiso(O7) = Uiso(S4) = Uiso(O9) = Uiso(C2) = Uiso(F6) = Uiso(F4) =
Uiso(F5) = Uiso(F11) = Uiso(C3) = Uiso(F12) = Uiso(O12) = Uiso(S5) = Uiso(O10)
= Uiso(O11) = Uiso(F10)
Uiso(C02B) = Uiso(C02A)
Uiso(C1Y) = Uiso(C033) = Uiso(C1Z) = Uiso(C031)
Uiso(C20) = Uiso(C1AA) = Uiso(C032) = Uiso(C03A)
Uiso(C03F) = Uiso(C03G)
Uiso(Rh04) = Uiso(Rh)
Uiso(C036) = Uiso(C1L)
Uiso(N8) = Uiso(N8A)
Uiso(C034) = Uiso(C1K)
Uiso(N6) = Uiso(N6A)
Uiso(N12) = Uiso(C1P) = Uiso(C1Q) = Uiso(H1QA) = Uiso(H1QB) = Uiso(H1QC)
Uiso(S6) = Uiso(O13) = Uiso(O14) = Uiso(O15) = Uiso(C4) = Uiso(F13) = Uiso(F14)
= Uiso(F15) = Uiso(S7) = Uiso(O19) = Uiso(O1A) = Uiso(O1B) = Uiso(C22) =
Uiso(F19) = Uiso(F1A) = Uiso(F1B) = Uiso(S8) = Uiso(O1C) = Uiso(O1D) =
Uiso(O1E) = Uiso(C23) = Uiso(F17) = Uiso(F1C) = Uiso(F1D)
Uiso(C1M) = Uiso(C042)
Uiso(N7A) = Uiso(N7)
Uiso(C04B) = Uiso(C04A)
Uiso(C03E) = Uiso(C2AA)
Uiso(C03C) = Uiso(C03D)
Uiso(C1D) = Uiso(C1E) = Uiso(C1F) = Uiso(C1G) = Uiso(C1H) = Uiso(C1I) =
Uiso(C1J)
Uiso(C1S) = Uiso(C1R) = Uiso(N13)
Uiso(C16) = Uiso(C18) = Uiso(C19) = Uiso(C1A) = Uiso(C1B) = Uiso(C1C) =
Uiso(C17)
Uiso(C5) = Uiso(C7) = Uiso(C8) = Uiso(C9) = Uiso(C10) = Uiso(C11) = Uiso(C14) =
Uiso(C1U) = Uiso(C1V) = Uiso(C1W) = Uiso(C1X) = Uiso(C1O) = Uiso(C1T) =
Uiso(C1N)
3. Others
 1*[Sof(S6)+Sof(O13)+Sof(O14)+Sof(O15)+Sof(C4)+Sof(F13)+Sof(F14)+Sof(F15)]+1*
 [Sof(S7)+Sof(O19)+Sof(O1A)+Sof(O1B)+Sof(C22)+Sof(F19)+Sof(F1A)+Sof(F1B)]+1*
 [Sof(S8)+Sof(O1C)+Sof(O1D)+Sof(O1E)+Sof(C23)+Sof(F17)+Sof(F1C)+Sof(F1D)]=1
 with esd of 0.0001
 Sof(S3)=Sof(O3)=Sof(O2)=Sof(O6)=Sof(C6)=Sof(F2)=Sof(F3)=Sof(F9)=1-FVAR(1)
 Sof(S2)=Sof(O1)=Sof(O4)=Sof(O5)=Sof(C1)=Sof(F7)=Sof(F8)=Sof(F1)=FVAR(1)
 Sof(S5)=Sof(O10)=Sof(O11)=Sof(O12)=Sof(C3)=Sof(F10)=Sof(F11)=Sof(F12)=1-FVAR(2)
 Sof(S4)=Sof(O7)=Sof(O8)=Sof(O9)=Sof(C2)=Sof(F4)=Sof(F5)=Sof(F6)=FVAR(2)
 Sof(S6)=Sof(O13)=Sof(O14)=Sof(O15)=Sof(C4)=Sof(F13)=Sof(F14)=Sof(F15)=FVAR(3)
 Sof(C1N)=Sof(H1NA)=Sof(H1NB)=Sof(H1NC)=Sof(C1O)=Sof(C1T)=Sof(H1T)=Sof(C1U)=
 Sof(H1U)=Sof(C1V)=Sof(H1V)=Sof(C1W)=Sof(H1W)=Sof(C1X)=Sof(H1X)=1-FVAR(4)
 Sof(C5)=Sof(H5A)=Sof(H5B)=Sof(H5C)=Sof(C7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=
 Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=Sof(C14)=Sof(H14)=FVAR(4)
 Sof(C13A)=Sof(H13A)=Sof(C12A)=Sof(H12A)=Sof(C0AA)=Sof(H0AB)=Sof(C02V)=
 Sof(H6AA)=Sof(C15)=Sof(H15)=Sof(C0)=1-FVAR(5)
 Sof(C028)=Sof(C030)=Sof(H030)=Sof(C02U)=Sof(H02U)=Sof(C03B)=Sof(H03V)=
 Sof(C12)=Sof(C13)=Sof(H13)=FVAR(5)
 Sof(H01A)=Sof(H01B)=Sof(N8)=Sof(C036)=Sof(C03C)=Sof(H03E)=Sof(H03G)=Sof(H03H)=
 Sof(N6A)=Sof(C1K)=Sof(C2AA)=Sof(H2AA)=Sof(H2AB)=Sof(H2AC)=Sof(N7A)=Sof(C04B)=
 Sof(H04G)=Sof(H04H)=Sof(H04I)=Sof(C1M)=Sof(Rh)=1-FVAR(6)
 Sof(Rh04)=Sof(H01D)=Sof(H01F)=Sof(N6)=Sof(N7)=Sof(C034)=Sof(C03E)=Sof(H03I)=
 Sof(H03J)=Sof(H03K)=Sof(C042)=Sof(C04A)=Sof(H04D)=Sof(H04E)=Sof(H04F)=Sof(N8A)=
 Sof(C1L)=Sof(C03D)=Sof(H03R)=Sof(H03S)=Sof(H03T)=FVAR(6)
 Sof(C02B)=Sof(C1Z)=Sof(H1Z)=Sof(C20)=Sof(H20)=Sof(C03G)=Sof(H03U)=Sof(C1AA)=
 Sof(H1AA)=Sof(C1Y)=Sof(H1Y)=1-FVAR(7)
 Sof(C02A)=Sof(C031)=Sof(H031)=Sof(C03A)=Sof(H03A)=Sof(C03F)=Sof(H03F)=
 Sof(C032)=Sof(H032)=Sof(C033)=Sof(H033)=FVAR(7)
 Sof(S7)=Sof(O19)=Sof(O1A)=Sof(O1B)=Sof(C22)=Sof(F19)=Sof(F1A)=Sof(F1B)=FVAR(8)
 Sof(S8)=Sof(O1C)=Sof(O1D)=Sof(O1E)=Sof(C23)=Sof(F17)=Sof(F1C)=Sof(F1D)=FVAR(9)
 Fixed Sof: C16(0.5) H16A(0.5) H16B(0.5) H16C(0.5) C17(0.5) C18(0.5) H18(0.5)
 C19(0.5) H19(0.5) C1A(0.5) H1A(0.5) C1B(0.5) H1B(0.5) C1C(0.5) H1C(0.5)
 C1D(0.25) H1DA(0.25) H1DB(0.25) H1DC(0.25) C1E(0.25) C1F(0.25) H1F(0.25)
 C1G(0.25) H1G(0.25) C1H(0.25) H1H(0.25) C1I(0.25) H1I(0.25) C1J(0.25)
 H1J(0.25) N12(0.5) C1P(0.5) C1Q(0.5) H1QA(0.5) H1QB(0.5) H1QC(0.5) N13(0.25)
 C1R(0.25) C1S(0.25) H1SA(0.25) H1SB(0.25) H1SC(0.25)
4.a Free rotating group:
 S2(O1,O4,O5,C1,F7,F8,F1), S3(O3,O2,O6,C6,F2,F3,F9), S4(O7,O8,O9,C2,F4,F5,F6),
 S5(O10,O11,O12,C3,F10,F11,F12), S6(O13,O14,O15,C4,F13,F14,F15), C5(C7,C8,C9,
 C10,C11,C14), C16(C17,C18,C19,C1A,C1B,C1C), C1D(C1E,C1F,C1G,C1H,C1I,C1J),
 N12(C1P,C1Q,H1QA,H1QB,H1QC), N13(C1R,C1S,H1SA,H1SB,H1SC), C1N(C1O,C1T,C1U,C1V,
 C1W,C1X), S7(O19,O1A,O1B,C22,F19,F1A,F1B), S8(O1C,O1D,O1E,C23,F17,F1C,F1D)
4.b Ternary CH refined with riding coordinates:
 C00W(H00W), C015(H015), C017(H017), C01D(H01D), C01D(H01A), C01F(H01F),
 C01F(H01B)
4.c Secondary CH2 refined with riding coordinates:
 C01B(H01C,H01E), C029(H02A,H02B)
4.d Aromatic/amide H refined with riding coordinates:
 C00V(H00V), C010(H010), C014(H014), C01C(H01G), C01E(H01H), C01G(H01I),
 C01J(H01J), C01K(H01K), C01L(H01L), C01O(H01O), C01P(H01P), C01Q(H01Q),
 C01S(H01S), C01T(H01T), C01W(H01W), C01X(H01X), C01Z(H01Z), C020(H020),
 C024(H024), C025(H025), C030(H030), C02U(H02U), C03B(H03V), C13(H13),
 C031(H031), C03A(H03A), C03F(H03F), C032(H032), C033(H033), C02D(H02D),
 C02H(H02T), C02N(H02), C02P(H3AA), C02S(H02S), C02W(H02W), C8(H8), C9(H9),
 C10(H10), C11(H11), C14(H14), C13A(H13A), C12A(H12A), C0AA(H0AB), C02V(H6AA),
 C15(H15), C18(H18), C19(H19), C1A(H1A), C1B(H1B), C1C(H1C), C1F(H1F), C1G(H1G),
  C1H(H1H), C1I(H1I), C1J(H1J), C1T(H1T), C1U(H1U), C1V(H1V), C1W(H1W),
 C1X(H1X), C1Z(H1Z), C20(H20), C03G(H03U), C1AA(H1AA), C1Y(H1Y)
4.e Fitted hexagon refined as free rotating group:
 C028(C030,C02U,C03B,C12,C13), C02A(C031,C03A,C03F,C032,C033), C13A(C12A,C0AA,
 C02V,C15,C0), C02B(C1Z,C20,C03G,C1AA,C1Y)
4.f Idealised Me refined as rotating group:
 C01R(H01M,H01N,H01R), C021(H02M,H02N,H02O), C02C(H02P,H02Q,H02R), C02E(H02C,
 H02E,H02F), C02I(H02V,H02X,H02Y), C02K(H02Z,H,HA), C02M(H02G,H02H,H02I),
 C02O(H0AA,HB,HC), C02T(H4AA,HD,HE), C02X(H5AA,HF,HG), C02Z(H02J,H02K,H02L),
 C037(H03B,H03C,H03D), C038(H03W,H03X,H03Y), C039(H03Z,HH,HI), C03C(H03E,H03G,
 H03H), C03E(H03I,H03J,H03K), C03H(H03L,H03M,H03N), C03M(H03,HJ,HK), C03Y(H03O,
 H03P,H03Q), C045(H04A,H04B,H04C), C04A(H04D,H04E,H04F), C30(H30A,H30B,H30C),
 C5(H5A,H5B,H5C), C16(H16A,H16B,H16C), C1D(H1DA,H1DB,H1DC), C2AA(H2AA,H2AB,
 H2AC), C03D(H03R,H03S,H03T), C04B(H04G,H04H,H04I), C1N(H1NA,H1NB,H1NC)
;
_atom_sites_solution_hydrogens   mixed
_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 0.10164(6) 0.53846(3) 0.81660(3) 0.02108(17) Uani 1 1 d . . . . .
Rh02 Rh 0.23562(6) 0.48600(4) 0.74353(4) 0.02545(18) Uani 1 1 d . . . . .
Rh03 Rh 0.38669(6) 0.09799(4) 0.36904(4) 0.0293(2) Uani 1 1 d . . . . .
Rh04 Rh 0.53389(12) 0.03267(10) 0.36200(14) 0.0215(2) Uiso 0.547(5) 1 d . . P A
1
P1 P 0.0270(2) 0.60939(12) 0.88898(11) 0.0240(5) Uani 1 1 d . . . . .
P2 P 0.28507(19) 0.16478(12) 0.36135(12) 0.0264(5) Uani 1 1 d . . . . .
Si07 Si 0.2535(2) 0.60993(15) 0.66894(14) 0.0341(6) Uani 1 1 d . . . . .
Si08 Si 0.5214(2) 0.58847(16) 0.83769(16) 0.0380(7) Uani 1 1 d . . . . .
S009 S 0.7434(3) 0.58906(17) 0.60353(17) 0.0564(9) Uani 1 1 d . . . . .
Si0A Si 0.7887(2) 0.12472(19) 0.34136(19) 0.0473(9) Uani 1 1 d . . . . .
Si00 Si 0.4394(4) -0.0619(2) 0.1639(2) 0.0785(14) Uani 1 1 d . . . . .
F00C F 0.9401(6) 0.6034(5) 0.6562(4) 0.066(2) Uani 1 1 d . . . . .
N3 N 0.1045(7) 0.4402(4) 0.6650(4) 0.0297(18) Uani 1 1 d . . . . .
N2 N -0.0493(7) 0.4950(4) 0.7444(4) 0.0265(17) Uani 1 1 d . . . . .
N1 N 0.0323(6) 0.4555(4) 0.8313(4) 0.0280(17) Uani 1 1 d . . . . .
N4 N 0.2186(8) 0.3837(5) 0.7284(5) 0.040(2) Uani 1 1 d . . . . .
C00I C 0.2436(7) 0.6205(4) 0.8383(5) 0.0236(18) Uani 1 1 d . . . . .
N9 N 0.2420(7) 0.0180(4) 0.3481(5) 0.038(2) Uani 1 1 d . . . . .
O00K O 0.7598(8) 0.6580(4) 0.6467(4) 0.061(3) Uani 1 1 d . . . . .
C00L C 0.2593(7) 0.5861(5) 0.8745(5) 0.027(2) Uani 1 1 d . . . . .
C00M C 0.2438(7) 0.6935(4) 0.8679(4) 0.0222(18) Uani 1 1 d . . . . .
C00O C 0.2134(7) 0.5763(4) 0.7710(4) 0.0233(18) Uani 1 1 d . . . . .
C00Q C 0.4510(7) 0.1476(5) 0.2682(4) 0.0234(18) Uani 1 1 d . . . . .
C00R C 0.1948(7) 0.7218(4) 0.9183(5) 0.027(2) Uani 1 1 d . . . . .
C00S C 0.5363(7) 0.1633(4) 0.3779(4) 0.0237(18) Uani 1 1 d . . . . .
N5 N 0.3367(7) 0.4658(4) 0.6742(4) 0.0345(19) Uani 1 1 d . . . . .
C00U C -0.0553(7) 0.6548(4) 0.8685(4) 0.0249(19) Uani 1 1 d . . . . .
C00V C 0.2914(7) 0.7333(5) 0.8419(5) 0.0268(19) Uani 1 1 d . . . . .
H00V H 0.327731 0.714843 0.808969 0.032 Uiso 1 1 calc R . . . .
C00W C 0.3862(8) 0.5221(5) 0.8148(5) 0.032(2) Uani 1 1 d . . . . .
H00W H 0.405196 0.480902 0.810629 0.039 Uiso 1 1 calc R . . . .
C00X C 0.4851(7) 0.1208(5) 0.3113(5) 0.027(2) Uani 1 1 d . . . . .
F00Z F 0.8794(9) 0.5174(6) 0.5661(5) 0.106(4) Uani 1 1 d . . . . .
C010 C -0.0602(7) 0.6547(5) 0.8111(5) 0.028(2) Uani 1 1 d . . . . .
H010 H -0.028527 0.626071 0.780445 0.034 Uiso 1 1 calc R . . . .
C011 C 0.3979(7) 0.1975(5) 0.2853(5) 0.028(2) Uani 1 1 d . . . . .
C012 C 0.4818(8) 0.2698(5) 0.4001(4) 0.027(2) Uani 1 1 d . . . . .
C013 C 0.5567(8) 0.2381(4) 0.4130(4) 0.026(2) Uani 1 1 d . . . . .
C014 C 0.4725(8) 0.1202(5) 0.2085(5) 0.035(2) Uani 1 1 d . . . . .
H014 H 0.510433 0.087137 0.196905 0.042 Uiso 1 1 calc R . . . .
C015 C 0.3757(7) 0.2303(5) 0.3491(5) 0.0264(19) Uani 1 1 d . . . . .
H015 H 0.334541 0.262754 0.350169 0.032 Uiso 1 1 calc R . . . .
C016 C 0.1675(8) 0.1301(5) 0.2955(5) 0.032(2) Uani 1 1 d . . . . .
C017 C 0.1426(8) 0.6829(5) 0.9493(4) 0.028(2) Uani 1 1 d . . . . .
H017 H 0.110985 0.712775 0.982826 0.033 Uiso 1 1 calc R . . . .
C018 C 0.2965(8) 0.5249(4) 0.8432(4) 0.0262(19) Uani 1 1 d . . . . .
C019 C 0.4599(7) 0.0505(5) 0.2918(5) 0.031(2) Uani 1 1 d . . . . .
C01A C 0.2835(8) 0.6186(5) 0.9449(5) 0.030(2) Uani 1 1 d . . . . .
C01B C 0.1689(7) 0.5965(5) 0.7249(4) 0.0233(18) Uani 1 1 d . . . . .
H01C H 0.151421 0.638974 0.749565 0.028 Uiso 1 1 calc R . . . .
H01E H 0.097926 0.561649 0.698412 0.028 Uiso 1 1 calc R . . . .
C01C C 0.2344(8) 0.8254(5) 0.9119(5) 0.035(2) Uani 1 1 d . . . . .
H01G H 0.229831 0.869967 0.926447 0.042 Uiso 1 1 calc R . . . .
C01D C 0.6858(9) 0.1061(6) 0.3843(6) 0.044(3) Uani 1 1 d . . . . .
H01D H 0.730836 0.107705 0.421601 0.053 Uiso 0.547(5) 1 calc R . P A 1
H01A H 0.727390 0.102449 0.419384 0.053 Uiso 0.453(5) 1 calc R . P A 2
C01E C 0.1897(8) 0.7876(5) 0.9390(5) 0.030(2) Uani 1 1 d . . . . .
H01H H 0.154613 0.806720 0.972377 0.036 Uiso 1 1 calc R . . . .
C01F C 0.6033(7) 0.1351(5) 0.4079(5) 0.034(2) Uani 1 1 d . . . . .
H01F H 0.615000 0.156692 0.454842 0.041 Uiso 0.547(5) 1 calc R . P A 1
H01B H 0.606367 0.150546 0.453664 0.041 Uiso 0.453(5) 1 calc R . P A 2
C01G C 0.2868(8) 0.7977(5) 0.8629(5) 0.034(2) Uani 1 1 d . . . . .
H01I H 0.318784 0.823598 0.844336 0.041 Uiso 1 1 calc R . . . .
O01H O 0.6886(9) 0.5637(6) 0.5408(5) 0.084(4) Uani 1 1 d . . . . .
C01I C 0.2277(9) 0.6635(5) 0.9807(5) 0.034(2) Uani 1 1 d . . . . .
C01J C 0.3596(8) 0.6030(5) 0.9770(5) 0.036(2) Uani 1 1 d . . . . .
H01J H 0.397143 0.572316 0.954000 0.043 Uiso 1 1 calc R . . . .
C01K C 0.3653(8) 0.2180(5) 0.2412(5) 0.032(2) Uani 1 1 d . . . . .
H01K H 0.328839 0.251850 0.252708 0.039 Uiso 1 1 calc R . . . .
C01L C 0.1368(9) 0.0642(6) 0.2485(6) 0.044(3) Uani 1 1 d . . . . .
H01L H 0.175107 0.034453 0.251412 0.052 Uiso 1 1 calc R . . . .
N10 N 0.3886(8) 0.1295(7) 0.4655(6) 0.058(3) Uani 1 1 d . . . . .
C01O C -0.1010(8) 0.6973(6) 0.9133(5) 0.039(3) Uani 1 1 d . . . . .
H01O H -0.099641 0.696903 0.952330 0.047 Uiso 1 1 calc R . . . .
C01P C 0.6521(8) 0.2782(5) 0.4601(5) 0.036(2) Uani 1 1 d . . . . .
H01P H 0.702844 0.257892 0.470159 0.043 Uiso 1 1 calc R . . . .
C01Q C 0.1105(8) 0.1736(6) 0.2896(6) 0.043(3) Uani 1 1 d . . . . .
H01Q H 0.129691 0.219446 0.321465 0.052 Uiso 1 1 calc R . . . .
C01R C 0.4048(9) 0.6266(6) 0.6961(6) 0.042(3) Uani 1 1 d . . . . .
H01M H 0.436559 0.672503 0.731451 0.063 Uiso 1 1 calc GR . . . .
H01N H 0.440506 0.621863 0.661218 0.063 Uiso 1 1 calc GR . . . .
H01R H 0.416732 0.594096 0.709728 0.063 Uiso 1 1 calc GR . . . .
C01S C 0.2514(10) 0.6905(6) 1.0455(5) 0.040(2) Uani 1 1 d . . . . .
H01S H 0.213116 0.720143 1.069401 0.048 Uiso 1 1 calc R . . . .
C01T C 0.3856(8) 0.1897(6) 0.1813(5) 0.040(3) Uani 1 1 d . . . . .
H01T H 0.363290 0.203748 0.151805 0.048 Uiso 1 1 calc R . . . .
C01U C -0.0161(9) 0.4108(5) 0.8342(5) 0.033(2) Uani 1 1 d . . . . .
N8 N 0.4046(17) -0.0694(10) 0.3047(10) 0.033(3) Uiso 0.453(5) 1 d . . P A 2
C01W C 0.5053(8) 0.3394(5) 0.4332(5) 0.034(2) Uani 1 1 d . . . . .
H01W H 0.455153 0.360573 0.424132 0.041 Uiso 1 1 calc R . . . .
C01X C 0.3819(9) 0.6317(6) 1.0425(6) 0.045(3) Uani 1 1 d . . . . .
H01X H 0.434430 0.620203 1.063377 0.054 Uiso 1 1 calc R . . . .
C01Y C 0.0474(9) 0.4108(5) 0.6157(6) 0.042(3) Uani 1 1 d . . . . .
C01Z C 0.4387(9) 0.1410(6) 0.1655(5) 0.040(3) Uani 1 1 d . . . . .
H01Z H 0.452692 0.121028 0.124565 0.049 Uiso 1 1 calc R . . . .
C020 C 0.6021(9) 0.3779(6) 0.4794(5) 0.042(3) Uani 1 1 d . . . . .
H020 H 0.618274 0.425575 0.501899 0.051 Uiso 1 1 calc R . . . .
C021 C 0.1999(9) 0.5345(7) 0.5896(5) 0.046(3) Uani 1 1 d . . . . .
H02M H 0.207303 0.494540 0.592347 0.069 Uiso 1 1 calc GR . . . .
H02N H 0.242093 0.540861 0.560340 0.069 Uiso 1 1 calc GR . . . .
H02O H 0.121860 0.528130 0.574205 0.069 Uiso 1 1 calc GR . . . .
C022 C -0.1349(8) 0.4742(6) 0.7141(5) 0.039(3) Uani 1 1 d . . . . .
N6 N 0.5883(12) 0.0267(8) 0.4458(8) 0.028(3) Uiso 0.547(5) 1 d . . P A 1
C024 C -0.1107(9) 0.6960(6) 0.7978(6) 0.043(3) Uani 1 1 d . . . . .
H024 H -0.116700 0.694605 0.757925 0.051 Uiso 1 1 calc R . . . .
C025 C 0.6744(9) 0.3479(6) 0.4929(5) 0.047(3) Uani 1 1 d . . . . .
H025 H 0.740440 0.374870 0.524939 0.056 Uiso 1 1 calc R . . . .
F026 F 0.9309(8) 0.6133(8) 0.5735(6) 0.122(5) Uani 1 1 d . . . . .
C027 C 0.3883(8) 0.4567(6) 0.6363(5) 0.036(2) Uani 1 1 d . . . . .
C028 C -0.0358(10) 0.5698(7) 0.9332(6) 0.027(4) Uiso 0.505(13) 1 d . . P B 1
C030 C -0.1503(10) 0.5446(7) 0.9166(6) 0.040(5) Uiso 0.505(13) 1 d G . P B 1
H030 H -0.191847 0.551894 0.886652 0.047 Uiso 0.505(13) 1 calc R . P B 1
C02U C -0.2041(8) 0.5088(8) 0.9438(7) 0.041(5) Uiso 0.505(13) 1 d G . P B 1
H02U H -0.282356 0.491657 0.932460 0.050 Uiso 0.505(13) 1 calc R . P B 1
C03B C -0.1434(10) 0.4982(7) 0.9876(7) 0.044(6) Uiso 0.505(13) 1 d G . P B 1
H03V H -0.180096 0.473765 1.006190 0.053 Uiso 0.505(13) 1 calc R . P B 1
C12 C -0.0288(10) 0.5234(7) 1.0042(6) 0.034(5) Uiso 0.505(13) 1 d G . P B 1
C13 C 0.0249(8) 0.5592(7) 0.9770(6) 0.035(5) Uiso 0.505(13) 1 d G . P B 1
H13 H 0.103184 0.576347 0.988308 0.042 Uiso 0.505(13) 1 calc R . P B 1
C029 C 0.3888(9) -0.0025(5) 0.2281(7) 0.051(3) Uani 1 1 d . . . . .
H02A H 0.353751 0.021451 0.210158 0.061 Uiso 1 1 calc R . . . .
H02B H 0.328615 -0.030827 0.235999 0.061 Uiso 1 1 calc R . . . .
C02A C 0.2265(8) 0.2102(4) 0.4281(4) 0.027(3) Uiso 0.753(10) 1 d . . P C 1
C031 C 0.2455(8) 0.2797(4) 0.4577(4) 0.040(2) Uiso 0.753(10) 1 d G . P C 1
H031 H 0.285460 0.305808 0.441451 0.048 Uiso 0.753(10) 1 calc R . P C 1
C03A C 0.2061(9) 0.3111(4) 0.5112(5) 0.052(3) Uiso 0.753(10) 1 d G . P C 1
H03A H 0.219117 0.358590 0.531392 0.062 Uiso 0.753(10) 1 calc R . P C 1
C03F C 0.1477(9) 0.2729(5) 0.5350(4) 0.056(4) Uiso 0.753(10) 1 d G . P C 1
H03F H 0.120734 0.294378 0.571481 0.067 Uiso 0.753(10) 1 calc R . P C 1
C032 C 0.1286(9) 0.2035(5) 0.5054(5) 0.052(3) Uiso 0.753(10) 1 d G . P C 1
H032 H 0.088693 0.177384 0.521629 0.062 Uiso 0.753(10) 1 calc R . P C 1
C033 C 0.1680(8) 0.1721(3) 0.4519(5) 0.040(2) Uiso 0.753(10) 1 d G . P C 1
H033 H 0.155036 0.124600 0.431688 0.048 Uiso 0.753(10) 1 calc R . P C 1
C02C C 0.6006(10) 0.5875(8) 0.9064(8) 0.066(4) Uani 1 1 d . . . . .
H02P H 0.573472 0.610893 0.943977 0.100 Uiso 1 1 calc GR . . . .
H02Q H 0.679150 0.610319 0.914098 0.100 Uiso 1 1 calc GR . . . .
H02R H 0.590813 0.540655 0.897158 0.100 Uiso 1 1 calc GR . . . .
C02D C 0.0260(10) 0.1485(8) 0.2363(7) 0.054(3) Uani 1 1 d . . . . .
H02D H -0.011133 0.178047 0.231700 0.064 Uiso 1 1 calc R . . . .
C02E C 0.8636(10) 0.0606(7) 0.3213(7) 0.054(3) Uani 1 1 d . . . . .
H02C H 0.866170 0.045733 0.353235 0.082 Uiso 1 1 calc GR . . . .
H02E H 0.938955 0.080409 0.320214 0.082 Uiso 1 1 calc GR . . . .
H02F H 0.825236 0.021889 0.279799 0.082 Uiso 1 1 calc GR . . . .
C02F C 0.1601(9) -0.0192(6) 0.3389(7) 0.049(3) Uani 1 1 d . . . . .
C02H C 0.3306(10) 0.6753(6) 1.0768(5) 0.043(3) Uani 1 1 d . . . . .
H02T H 0.347864 0.695422 1.121523 0.052 Uiso 1 1 calc R . . . .
C02I C 0.5158(9) 0.6750(6) 0.8651(7) 0.048(3) Uani 1 1 d . . . . .
H02V H 0.479272 0.678562 0.829570 0.073 Uiso 1 1 calc GR . . . .
H02X H 0.590999 0.706236 0.882224 0.073 Uiso 1 1 calc GR . . . .
H02Y H 0.474238 0.686627 0.898037 0.073 Uiso 1 1 calc GR . . . .
C02K C 0.2328(12) 0.6854(7) 0.6653(7) 0.058(4) Uani 1 1 d . . . . .
H02Z H 0.155860 0.675123 0.644523 0.087 Uiso 1 1 calc GR . . . .
H H 0.281736 0.697474 0.641181 0.087 Uiso 1 1 calc GR . . . .
HA H 0.249902 0.723256 0.708180 0.087 Uiso 1 1 calc GR . . . .
O02L O 0.7036(10) 0.5429(6) 0.6297(7) 0.099(4) Uani 1 1 d . . . . .
C02M C 0.8888(10) 0.2078(7) 0.4020(9) 0.071(5) Uani 1 1 d . . . . .
H02G H 0.850104 0.242091 0.416396 0.106 Uiso 1 1 calc GR . . . .
H02H H 0.947467 0.221154 0.383354 0.106 Uiso 1 1 calc GR . . . .
H02I H 0.921089 0.203526 0.437982 0.106 Uiso 1 1 calc GR . . . .
C02N C -0.1481(10) 0.7401(7) 0.9015(6) 0.054(3) Uani 1 1 d . . . . .
H02 H -0.177506 0.769718 0.932845 0.065 Uiso 1 1 calc R . . . .
C02O C 0.6004(10) 0.5638(7) 0.7757(7) 0.057(3) Uani 1 1 d . . . . .
H0AA H 0.588166 0.514920 0.755602 0.085 Uiso 1 1 calc GR . . . .
HB H 0.679188 0.587284 0.794857 0.085 Uiso 1 1 calc GR . . . .
HC H 0.575510 0.576112 0.743962 0.085 Uiso 1 1 calc GR . . . .
C02P C -0.1529(9) 0.7402(6) 0.8452(7) 0.055(4) Uani 1 1 d . . . . .
H3AA H -0.184981 0.770199 0.837836 0.066 Uiso 1 1 calc R . . . .
C02Q C 0.1924(11) 0.3312(7) 0.7209(8) 0.062(4) Uani 1 1 d . . . . .
C02R C 0.8835(11) 0.5849(8) 0.6018(7) 0.061(4) Uani 1 1 d . . . . .
C02S C -0.0049(12) 0.0829(9) 0.1907(7) 0.067(4) Uani 1 1 d . . . . .
H02S H -0.063928 0.066524 0.155173 0.080 Uiso 1 1 calc R . . . .
C02T C 0.4542(10) 0.4465(8) 0.5898(6) 0.059(4) Uani 1 1 d . . . . .
H4AA H 0.415327 0.448582 0.553981 0.088 Uiso 1 1 calc GR . . . .
HD H 0.466231 0.402198 0.575075 0.088 Uiso 1 1 calc GR . . . .
HE H 0.525474 0.481827 0.608902 0.088 Uiso 1 1 calc GR . . . .
C02W C 0.0499(12) 0.0404(8) 0.1964(7) 0.070(4) Uani 1 1 d . . . . .
H02W H 0.028612 -0.005544 0.164694 0.083 Uiso 1 1 calc R . . . .
C02X C -0.0829(12) 0.3538(7) 0.8387(7) 0.062(4) Uani 1 1 d . . . . .
H5AA H -0.092975 0.311883 0.799677 0.093 Uiso 1 1 calc GR . . . .
HF H -0.155111 0.360001 0.844655 0.093 Uiso 1 1 calc GR . . . .
HG H -0.045447 0.351366 0.874595 0.093 Uiso 1 1 calc GR . . . .
N7 N 0.6275(19) -0.0373(12) 0.3219(11) 0.056(4) Uiso 0.547(5) 1 d . . P A 1
C02Z C 0.7356(11) 0.1364(10) 0.2745(8) 0.074(5) Uani 1 1 d . . . . .
H02J H 0.702099 0.092169 0.236872 0.111 Uiso 1 1 calc GR . . . .
H02K H 0.796597 0.162853 0.266118 0.111 Uiso 1 1 calc GR . . . .
H02L H 0.680046 0.160227 0.284927 0.111 Uiso 1 1 calc GR . . . .
C034 C 0.6284(16) 0.0330(11) 0.4930(10) 0.035(3) Uiso 0.547(5) 1 d . . P A 1
C036 C 0.3422(19) -0.1205(12) 0.2789(12) 0.031(3) Uiso 0.453(5) 1 d . . P A 2
C037 C 0.0522(11) -0.0668(8) 0.3273(9) 0.077(5) Uani 1 1 d . . . . .
H03B H 0.027437 -0.100064 0.282301 0.115 Uiso 1 1 calc GR . . . .
H03C H -0.001758 -0.042057 0.339728 0.115 Uiso 1 1 calc GR . . . .
H03D H 0.059252 -0.090088 0.352139 0.115 Uiso 1 1 calc GR . . . .
C038 C -0.0248(15) 0.3748(8) 0.5531(9) 0.093(7) Uani 1 1 d . . . . .
H03W H 0.015800 0.352572 0.522101 0.140 Uiso 1 1 calc GR . . . .
H03X H -0.051270 0.406659 0.543426 0.140 Uiso 1 1 calc GR . . . .
H03Y H -0.087966 0.340748 0.551471 0.140 Uiso 1 1 calc GR . . . .
C039 C -0.2477(11) 0.4476(9) 0.6783(8) 0.086(6) Uani 1 1 d . . . . .
H03Z H -0.260122 0.401861 0.643812 0.130 Uiso 1 1 calc GR . . . .
HH H -0.262269 0.476617 0.660671 0.130 Uiso 1 1 calc GR . . . .
HI H -0.297526 0.446309 0.705942 0.130 Uiso 1 1 calc GR . . . .
C03C C 0.266(3) -0.1872(16) 0.2489(16) 0.054(5) Uiso 0.453(5) 1 d . . P A 2
H03E H 0.273106 -0.212386 0.205591 0.081 Uiso 0.453(5) 1 calc GR . P A 2
H03G H 0.190140 -0.184068 0.248112 0.081 Uiso 0.453(5) 1 calc GR . P A 2
H03H H 0.281102 -0.210503 0.272564 0.081 Uiso 0.453(5) 1 calc GR . P A 2
C03E C 0.678(2) 0.0436(13) 0.5545(12) 0.051(5) Uiso 0.547(5) 1 d . . P A 1
H03I H 0.758588 0.053531 0.559782 0.076 Uiso 0.547(5) 1 calc GR . P A 1
H03J H 0.648992 0.002690 0.557721 0.076 Uiso 0.547(5) 1 calc GR . P A 1
H03K H 0.661397 0.081538 0.587503 0.076 Uiso 0.547(5) 1 calc GR . P A 1
C03H C 0.5831(14) -0.0341(10) 0.1667(9) 0.097(7) Uani 1 1 d . . . . .
H03L H 0.594982 -0.002846 0.149397 0.146 Uiso 1 1 calc GR . . . .
H03M H 0.607464 -0.073155 0.141648 0.146 Uiso 1 1 calc GR . . . .
H03N H 0.625656 -0.011111 0.210591 0.146 Uiso 1 1 calc GR . . . .
C50 C 0.3984(19) 0.1415(10) 0.5147(9) 0.101(7) Uani 1 1 d . . . . .
C03M C 0.1584(18) 0.2612(9) 0.7111(12) 0.114(8) Uani 1 1 d . . . . .
H03 H 0.088728 0.235432 0.679081 0.171 Uiso 1 1 calc GR . . . .
HJ H 0.148506 0.262250 0.750953 0.171 Uiso 1 1 calc GR . . . .
HK H 0.215579 0.239740 0.696943 0.171 Uiso 1 1 calc GR . . . .
C03Y C 0.411(2) -0.1456(9) 0.1667(15) 0.172(16) Uani 1 1 d . . . . .
H03O H 0.383035 -0.140197 0.204233 0.257 Uiso 1 1 calc GR . . . .
H03P H 0.479295 -0.157871 0.168712 0.257 Uiso 1 1 calc GR . . . .
H03Q H 0.355556 -0.181208 0.128739 0.257 Uiso 1 1 calc GR . . . .
C042 C 0.669(3) -0.0792(17) 0.2995(16) 0.073(6) Uiso 0.547(5) 1 d . . P A 1
C045 C 0.348(2) -0.0759(15) 0.0929(10) 0.171(15) Uani 1 1 d . . . . .
H04A H 0.392111 -0.066832 0.065571 0.257 Uiso 1 1 calc GR . . . .
H04B H 0.301841 -0.045518 0.105024 0.257 Uiso 1 1 calc GR . . . .
H04C H 0.300399 -0.122820 0.070198 0.257 Uiso 1 1 calc GR . . . .
C04A C 0.726(3) -0.131(2) 0.272(2) 0.098(9) Uiso 0.547(5) 1 d . . P A 1
H04D H 0.752154 -0.129450 0.236208 0.147 Uiso 0.547(5) 1 calc GR . P A 1
H04E H 0.675085 -0.176106 0.257767 0.147 Uiso 0.547(5) 1 calc GR . P A 1
H04F H 0.789799 -0.122804 0.304277 0.147 Uiso 0.547(5) 1 calc GR . P A 1
S2 S 0.7562(7) 0.2583(5) 0.6291(4) 0.110(3) Uiso 0.589(13) 1 d . . P D -1
O1 O 0.7861(11) 0.3021(6) 0.6967(4) 0.110(3) Uiso 0.589(13) 1 d G . P D -1
O4 O 0.6667(7) 0.1970(6) 0.6065(7) 0.110(3) Uiso 0.589(13) 1 d G . P D -1
O5 O 0.7551(10) 0.2921(6) 0.5914(6) 0.110(3) Uiso 0.589(13) 1 d G . P D -1
C1 C 0.8768(7) 0.2265(5) 0.6148(5) 0.110(3) Uiso 0.589(13) 1 d G . P D -1
F7 F 0.8652(11) 0.1841(6) 0.5537(5) 0.110(3) Uiso 0.589(13) 1 d G . P D -1
F8 F 0.9702(7) 0.2765(6) 0.6330(7) 0.110(3) Uiso 0.589(13) 1 d G . P D -1
F1 F 0.8925(11) 0.1929(7) 0.6463(7) 0.110(3) Uiso 0.589(13) 1 d G . P D -1
S3 S 0.8337(9) 0.2070(6) 0.5817(5) 0.102(4) Uiso 0.411(13) 1 d . . P D -2
O3 O 0.7598(14) 0.1605(8) 0.5206(5) 0.102(4) Uiso 0.411(13) 1 d G . P D -2
O2 O 0.8695(14) 0.1767(9) 0.6181(8) 0.102(4) Uiso 0.411(13) 1 d G . P D -2
O6 O 0.9176(11) 0.2615(8) 0.5837(9) 0.102(4) Uiso 0.411(13) 1 d G . P D -2
C6 C 0.7422(10) 0.2514(6) 0.6268(6) 0.102(4) Uiso 0.411(13) 1 d G . P D -2
F2 F 0.7960(16) 0.2978(8) 0.6861(6) 0.102(4) Uiso 0.411(13) 1 d G . P D -2
F3 F 0.6995(14) 0.2835(9) 0.6003(9) 0.102(4) Uiso 0.411(13) 1 d G . P D -2
F9 F 0.6572(12) 0.2088(9) 0.6306(9) 0.102(4) Uiso 0.411(13) 1 d G . P D -2
S4 S 1.0439(8) 0.8256(6) 0.1303(6) 0.149(3) Uiso 0.599(7) 1 d . . P E -2
O7 O 1.0746(12) 0.7640(8) 0.1097(9) 0.149(3) Uiso 0.599(7) 1 d G . P E -2
O8 O 1.1029(10) 0.8794(8) 0.1927(7) 0.149(3) Uiso 0.599(7) 1 d G . P E -2
O9 O 1.0248(13) 0.8463(9) 0.0829(7) 0.149(3) Uiso 0.599(7) 1 d G . P E -2
C2 C 0.9033(8) 0.8001(6) 0.1414(6) 0.149(3) Uiso 0.599(7) 1 d G . P E -2
F4 F 0.8592(11) 0.8510(8) 0.1609(9) 0.149(3) Uiso 0.599(7) 1 d G . P E -2
F5 F 0.8342(10) 0.7496(8) 0.0877(7) 0.149(3) Uiso 0.599(7) 1 d G . P E -2
F6 F 0.9029(13) 0.7788(9) 0.1844(8) 0.149(3) Uiso 0.599(7) 1 d G . P E -2
S5 S 0.9766(13) 0.7796(8) 0.1322(8) 0.149(3) Uiso 0.401(7) 1 d . . P E -1
O10 O 0.979(2) 0.7137(7) 0.0868(11) 0.149(3) Uiso 0.401(7) 1 d G . P E -1
O11 O 0.8972(13) 0.8055(13) 0.1106(13) 0.149(3) Uiso 0.401(7) 1 d G . P E -1
O12 O 0.986(2) 0.7917(13) 0.1964(10) 0.149(3) Uiso 0.401(7) 1 d G . P E -1
C3 C 1.1098(13) 0.8355(8) 0.1373(9) 0.149(3) Uiso 0.401(7) 1 d G . P E -1
F10 F 1.1234(19) 0.9003(8) 0.1778(12) 0.149(3) Uiso 0.401(7) 1 d G . P E -1
F11 F 1.1958(13) 0.8195(13) 0.1568(13) 0.149(3) Uiso 0.401(7) 1 d G . P E -1
F12 F 1.1175(19) 0.8317(13) 0.0814(11) 0.149(3) Uiso 0.401(7) 1 d G . P E -1
S6 S 0.4950(12) 0.6943(7) 0.2407(7) 0.125(2) Uiso 0.427(3) 1 d . . P F -2
O13 O 0.5122(19) 0.6437(10) 0.1836(8) 0.125(2) Uiso 0.427(3) 1 d G . P F -2
O14 O 0.5938(14) 0.7448(9) 0.2861(10) 0.125(2) Uiso 0.427(3) 1 d G . P F -2
O15 O 0.4031(17) 0.7190(11) 0.2324(11) 0.125(2) Uiso 0.427(3) 1 d G . P F -2
C4 C 0.4465(13) 0.6453(8) 0.2808(7) 0.125(2) Uiso 0.427(3) 1 d G . P F -2
F13 F 0.4255(19) 0.6838(11) 0.3360(8) 0.125(2) Uiso 0.427(3) 1 d G . P F -2
F14 F 0.3536(14) 0.5949(9) 0.2458(10) 0.125(2) Uiso 0.427(3) 1 d G . P F -2
F15 F 0.5215(17) 0.6176(10) 0.2931(11) 0.125(2) Uiso 0.427(3) 1 d G . P F -2
C30 C 0.413(4) 0.1591(18) 0.5837(12) 0.26(3) Uani 1 1 d . . . . .
H30A H 0.346624 0.167570 0.597691 0.397 Uiso 1 1 calc GR . . . .
H30B H 0.476570 0.199630 0.609151 0.397 Uiso 1 1 calc GR . . . .
H30C H 0.426908 0.121431 0.588663 0.397 Uiso 1 1 calc GR . . . .
C5 C 0.594(4) 0.7577(18) 0.045(2) 0.171(7) Uiso 0.64(2) 1 d . . P G -2
H5A H 0.597458 0.717280 0.008452 0.257 Uiso 0.64(2) 1 calc GR . P G -2
H5B H 0.520260 0.750166 0.053197 0.257 Uiso 0.64(2) 1 calc GR . P G -2
H5C H 0.648597 0.767187 0.082318 0.257 Uiso 0.64(2) 1 calc GR . P G -2
C7 C 0.620(2) 0.8169(14) 0.0329(14) 0.171(7) Uiso 0.64(2) 1 d G . P G -2
C8 C 0.729(2) 0.8593(19) 0.051(2) 0.171(7) Uiso 0.64(2) 1 d G . P G -2
H8 H 0.786676 0.849869 0.069872 0.206 Uiso 0.64(2) 1 calc R . P G -2
C9 C 0.752(3) 0.9151(19) 0.040(2) 0.171(7) Uiso 0.64(2) 1 d G . P G -2
H9 H 0.826360 0.943258 0.052812 0.206 Uiso 0.64(2) 1 calc R . P G -2
C10 C 0.668(4) 0.9296(15) 0.0123(18) 0.171(7) Uiso 0.64(2) 1 d G . P G -2
H10 H 0.683911 0.967620 0.005536 0.206 Uiso 0.64(2) 1 calc R . P G -2
C11 C 0.560(3) 0.8877(19) -0.0059(18) 0.171(7) Uiso 0.64(2) 1 d G . P G -2
H11 H 0.501717 0.897040 -0.025339 0.206 Uiso 0.64(2) 1 calc R . P G -2
C14 C 0.536(2) 0.8320(17) 0.0044(17) 0.171(7) Uiso 0.64(2) 1 d G . P G -2
H14 H 0.462328 0.803830 -0.008077 0.206 Uiso 0.64(2) 1 calc R . P G -2
C13A C -0.0592(9) 0.6141(5) 0.9930(5) 0.032(5) Uiso 0.495(13) 1 d . . P B 2
H13A H -0.002762 0.655765 1.018345 0.038 Uiso 0.495(13) 1 calc R . P B 2
C12A C -0.1328(11) 0.5885(6) 1.0206(4) 0.043(6) Uiso 0.495(13) 1 d G . P B 2
H12A H -0.126662 0.612621 1.064800 0.051 Uiso 0.495(13) 1 calc R . P B 2
C0AA C -0.2155(10) 0.5276(6) 0.9835(6) 0.031(5) Uiso 0.495(13) 1 d G . P B 2
H0AB H -0.265774 0.510079 1.002382 0.038 Uiso 0.495(13) 1 calc R . P B 2
C02V C -0.2245(8) 0.4923(5) 0.9189(5) 0.030(5) Uiso 0.495(13) 1 d G . P B 2
H6AA H -0.280986 0.450679 0.893510 0.036 Uiso 0.495(13) 1 calc R . P B 2
C15 C -0.1509(9) 0.5179(5) 0.8913(4) 0.017(4) Uiso 0.495(13) 1 d G . P B 2
H15 H -0.157087 0.493821 0.847055 0.020 Uiso 0.495(13) 1 calc R . P B 2
C0 C -0.0683(9) 0.5788(6) 0.9283(5) 0.020(4) Uiso 0.495(13) 1 d G . P B 2
C16 C 0.169(3) 0.979(2) 0.0638(17) 0.109(5) Uiso 0.5 1 d . . P H -1
H16A H 0.240086 1.009054 0.068827 0.163 Uiso 0.5 1 calc GR . P H -1
H16B H 0.169555 0.931743 0.040633 0.163 Uiso 0.5 1 calc GR . P H -1
H16C H 0.155524 0.988106 0.105517 0.163 Uiso 0.5 1 calc GR . P H -1
C17 C 0.078(3) 0.9894(19) 0.0276(17) 0.109(5) Uiso 0.5 1 d G . P H -1
C18 C 0.069(3) 1.054(2) 0.0459(19) 0.109(5) Uiso 0.5 1 d G . P H -1
H18 H 0.121637 1.092054 0.081004 0.131 Uiso 0.5 1 calc R . P H -1
C19 C -0.016(3) 1.064(2) 0.013(2) 0.109(5) Uiso 0.5 1 d G . P H -1
H19 H -0.021392 1.108526 0.026488 0.131 Uiso 0.5 1 calc R . P H -1
C1A C -0.094(3) 1.009(3) -0.038(2) 0.109(5) Uiso 0.5 1 d G . P H -1
H1A H -0.152182 1.015829 -0.060666 0.131 Uiso 0.5 1 calc R . P H -1
C1B C -0.086(3) 0.944(2) -0.0574(19) 0.109(5) Uiso 0.5 1 d G . P H -1
H1B H -0.138341 0.906583 -0.092616 0.131 Uiso 0.5 1 calc R . P H -1
C1C C 0.000(3) 0.935(2) -0.0246(17) 0.109(5) Uiso 0.5 1 d G . P H -1
H1C H 0.004643 0.890256 -0.037933 0.131 Uiso 0.5 1 calc R . P H -1
C1D C 0.160(2) 0.0752(17) 0.5892(15) 0.052(4) Uiso 0.25 1 d . . P I -2
H1DA H 0.222385 0.094205 0.576038 0.078 Uiso 0.25 1 calc GR . P I -2
H1DB H 0.176830 0.041892 0.600405 0.078 Uiso 0.25 1 calc GR . P I -2
H1DC H 0.146577 0.111351 0.625926 0.078 Uiso 0.25 1 calc GR . P I -2
C1E C 0.0584(19) 0.0413(11) 0.5357(11) 0.052(4) Uiso 0.25 1 d G . P I -2
C1F C 0.000(2) 0.0794(10) 0.5214(13) 0.052(4) Uiso 0.25 1 d G . P I -2
H1F H 0.025455 0.127296 0.545191 0.062 Uiso 0.25 1 calc R . P I -2
C1G C -0.096(2) 0.0482(14) 0.4729(15) 0.052(4) Uiso 0.25 1 d G . P I -2
H1G H -0.134440 0.074824 0.463850 0.062 Uiso 0.25 1 calc R . P I -2
C1H C -0.135(2) -0.0221(15) 0.4375(13) 0.052(4) Uiso 0.25 1 d G . P I -2
H1H H -0.199567 -0.043506 0.404434 0.062 Uiso 0.25 1 calc R . P I -2
C1I C -0.077(3) -0.0607(11) 0.4510(14) 0.052(4) Uiso 0.25 1 d G . P I -2
H1I H -0.102546 -0.108599 0.427110 0.062 Uiso 0.25 1 calc R . P I -2
C1J C 0.019(2) -0.0293(11) 0.4997(15) 0.052(4) Uiso 0.25 1 d G . P I -2
H1J H 0.057306 -0.056014 0.508533 0.062 Uiso 0.25 1 calc R . P I -2
N6A N 0.5940(15) 0.0030(10) 0.4182(9) 0.028(3) Uiso 0.453(5) 1 d . . P A 2
C1K C 0.633(2) 0.0090(13) 0.4659(13) 0.035(3) Uiso 0.453(5) 1 d . . P A 2
C2AA C 0.687(2) 0.0154(16) 0.5262(15) 0.051(5) Uiso 0.453(5) 1 d . . P A 2
H2AA H 0.732284 -0.015121 0.518086 0.076 Uiso 0.453(5) 1 calc GR . P A 2
H2AB H 0.629718 0.003544 0.546580 0.076 Uiso 0.453(5) 1 calc GR . P A 2
H2AC H 0.733067 0.062010 0.553953 0.076 Uiso 0.453(5) 1 calc GR . P A 2
N8A N 0.4031(14) -0.0560(8) 0.3301(8) 0.033(3) Uiso 0.547(5) 1 d . . P A 1
C1L C 0.3443(15) -0.1090(10) 0.3088(10) 0.031(3) Uiso 0.547(5) 1 d . . P A 1
C03D C 0.262(2) -0.1755(13) 0.2791(13) 0.054(5) Uiso 0.547(5) 1 d . . P A 1
H03R H 0.215556 -0.182895 0.240468 0.081 Uiso 0.547(5) 1 calc GR . P A 1
H03S H 0.216818 -0.177943 0.308349 0.081 Uiso 0.547(5) 1 calc GR . P A 1
H03T H 0.300202 -0.210305 0.268543 0.081 Uiso 0.547(5) 1 calc GR . P A 1
N7A N 0.613(2) -0.0506(15) 0.2954(14) 0.056(4) Uiso 0.453(5) 1 d . . P A 2
C04B C 0.693(4) -0.146(2) 0.227(2) 0.098(9) Uiso 0.453(5) 1 d . . P A 2
H04G H 0.658093 -0.162415 0.182291 0.147 Uiso 0.453(5) 1 calc GR . P A 2
H04H H 0.675664 -0.182542 0.236924 0.147 Uiso 0.453(5) 1 calc GR . P A 2
H04I H 0.773490 -0.128783 0.233301 0.147 Uiso 0.453(5) 1 calc GR . P A 2
C1M C 0.651(3) -0.089(2) 0.269(2) 0.073(6) Uiso 0.453(5) 1 d . . P A 2
Rh Rh 0.53166(14) 0.02013(12) 0.34118(17) 0.0215(2) Uiso 0.453(5) 1 d . . P A 2
N12 N 0.542(2) 0.5150(14) 0.0116(14) 0.095(6) Uiso 0.5 1 d . . P J -1
C1P C 0.6092(18) 0.5630(12) 0.0512(11) 0.095(6) Uiso 0.5 1 d G . P J -1
C1Q C 0.693(3) 0.6231(15) 0.1007(15) 0.095(6) Uiso 0.5 1 d G . P J -1
H1QA H 0.745209 0.648372 0.079985 0.095(6) Uiso 0.5 1 d G . P J -1
H1QB H 0.745427 0.609643 0.129107 0.095(6) Uiso 0.5 1 d G . P J -1
H1QC H 0.653904 0.658583 0.131872 0.095(6) Uiso 0.5 1 d G . P J -1
N13 N 0.118(3) 0.038(2) 0.4784(18) 0.059(7) Uiso 0.25 1 d . . P K -1
C1R C 0.075(3) 0.0622(16) 0.5193(16) 0.059(7) Uiso 0.25 1 d G . P K -1
C1S C 0.023(4) 0.093(3) 0.570(2) 0.059(7) Uiso 0.25 1 d G . P K -1
H1SA H 0.068048 0.146616 0.600434 0.089 Uiso 0.25 1 d G . P K -1
H1SB H 0.020753 0.067796 0.599587 0.089 Uiso 0.25 1 d G . P K -1
H1SC H -0.062579 0.088456 0.551385 0.089 Uiso 0.25 1 d G . P K -1
C1N C 0.537(6) 0.968(3) 0.015(3) 0.171(7) Uiso 0.36(2) 1 d . . P G -1
H1NA H 0.506096 0.952735 -0.029698 0.257 Uiso 0.36(2) 1 calc GR . P G -1
H1NB H 0.597584 1.009495 0.032480 0.257 Uiso 0.36(2) 1 calc GR . P G -1
H1NC H 0.479106 0.975245 0.038314 0.257 Uiso 0.36(2) 1 calc GR . P G -1
C1O C 0.579(4) 0.914(2) 0.020(2) 0.171(7) Uiso 0.36(2) 1 d G . P G -1
C1T C 0.506(4) 0.855(3) 0.012(3) 0.171(7) Uiso 0.36(2) 1 d G . P G -1
H1T H 0.429051 0.847815 0.003127 0.206 Uiso 0.36(2) 1 calc R . P G -1
C1U C 0.545(6) 0.805(3) 0.018(3) 0.171(7) Uiso 0.36(2) 1 d G . P G -1
H1U H 0.494866 0.765566 0.013261 0.206 Uiso 0.36(2) 1 calc R . P G -1
C1V C 0.659(6) 0.814(3) 0.032(3) 0.171(7) Uiso 0.36(2) 1 d G . P G -1
H1V H 0.685647 0.781092 0.035943 0.206 Uiso 0.36(2) 1 calc R . P G -1
C1W C 0.732(4) 0.873(4) 0.039(4) 0.171(7) Uiso 0.36(2) 1 d G . P G -1
H1W H 0.809696 0.879557 0.048196 0.206 Uiso 0.36(2) 1 calc R . P G -1
C1X C 0.693(4) 0.922(3) 0.033(3) 0.171(7) Uiso 0.36(2) 1 d G . P G -1
H1X H 0.743614 0.961636 0.037996 0.206 Uiso 0.36(2) 1 calc R . P G -1
C02B C 0.251(2) 0.2070(14) 0.4409(11) 0.027(3) Uiso 0.247(10) 1 d . . P C 2
C1Z C 0.141(2) 0.1909(14) 0.4442(12) 0.040(2) Uiso 0.247(10) 1 d G . P C 2
H1Z H 0.085305 0.159638 0.407047 0.048 Uiso 0.247(10) 1 calc R . P C 2
C20 C 0.1129(19) 0.2205(17) 0.5020(15) 0.052(3) Uiso 0.247(10) 1 d G . P C 2
H20 H 0.037939 0.209502 0.504235 0.062 Uiso 0.247(10) 1 calc R . P C 2
C03G C 0.195(3) 0.2662(17) 0.5564(11) 0.056(4) Uiso 0.247(10) 1 d G . P C 2
H03U H 0.175271 0.286451 0.595812 0.067 Uiso 0.247(10) 1 calc R . P C 2
C1AA C 0.304(2) 0.2823(15) 0.5530(11) 0.052(3) Uiso 0.247(10) 1 d G . P C 2
H1AA H 0.359970 0.313537 0.590201 0.062 Uiso 0.247(10) 1 calc R . P C 2
C1Y C 0.3324(17) 0.2527(15) 0.4953(13) 0.040(2) Uiso 0.247(10) 1 d G . P C 2
H1Y H 0.407339 0.263675 0.493013 0.048 Uiso 0.247(10) 1 calc R . P C 2
S7 S 0.4750(14) 0.6961(8) 0.2395(8) 0.125(2) Uiso 0.376(3) 1 d . . P L -3
O19 O 0.549(2) 0.6755(13) 0.1989(10) 0.125(2) Uiso 0.376(3) 1 d G . P L -3
O1A O 0.501(2) 0.7679(8) 0.2808(11) 0.125(2) Uiso 0.376(3) 1 d G . P L -3
O1B O 0.3591(14) 0.6607(12) 0.2107(11) 0.125(2) Uiso 0.376(3) 1 d G . P L -3
C22 C 0.5050(15) 0.6647(9) 0.2957(8) 0.125(2) Uiso 0.376(3) 1 d G . P L -3
F19 F 0.443(2) 0.6791(13) 0.3383(9) 0.125(2) Uiso 0.376(3) 1 d G . P L -3
F1A F 0.485(2) 0.5977(9) 0.2663(11) 0.125(2) Uiso 0.376(3) 1 d G . P L -3
F1B F 0.6106(16) 0.6920(12) 0.3279(10) 0.125(2) Uiso 0.376(3) 1 d G . P L -3
S8 S 0.539(2) 0.7349(16) 0.2466(13) 0.125(2) Uiso 0.196(3) 1 d . . P M -4
O1C O 0.604(3) 0.735(2) 0.2014(14) 0.125(2) Uiso 0.196(3) 1 d G . P M -4
O1D O 0.482(3) 0.786(2) 0.266(2) 0.125(2) Uiso 0.196(3) 1 d G . P M -4
O1E O 0.477(3) 0.6693(17) 0.236(2) 0.125(2) Uiso 0.196(3) 1 d G . P M -4
C23 C 0.646(2) 0.7651(16) 0.3190(13) 0.125(2) Uiso 0.196(3) 1 d G . P M -4
F17 F 0.602(4) 0.769(2) 0.3676(13) 0.125(2) Uiso 0.196(3) 1 d G . P M -4
F1C F 0.709(3) 0.724(2) 0.311(2) 0.125(2) Uiso 0.196(3) 1 d G . P M -4
F1D F 0.714(3) 0.8265(17) 0.3372(18) 0.125(2) Uiso 0.196(3) 1 d G . P M -4


_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 2.6857(10) . ?
Rh01 P1 2.278(2) . ?
Rh01 N2 2.159(8) . ?
Rh01 N1 2.130(7) . ?
Rh01 C00I 2.138(8) . ?
Rh01 C00L 2.071(10) . ?
Rh01 C00O 2.166(9) . ?
Rh02 N3 2.075(9) . ?
Rh02 N4 2.187(9) . ?
Rh02 C00O 1.991(9) . ?
Rh02 N5 2.181(9) . ?
Rh02 C00W 2.165(10) . ?
Rh02 C018 2.154(10) . ?
Rh03 Rh04 2.6335(18) . ?
Rh03 P2 2.279(3) . ?
Rh03 N9 2.138(8) . ?
Rh03 C00S 2.086(8) . ?
Rh03 C00X 2.140(9) . ?
Rh03 C019 2.147(10) . ?
Rh03 N10 2.119(12) . ?
Rh03 Rh 2.790(2) . ?
Rh04 C019 2.103(11) . ?
Rh04 C01D 2.113(10) . ?
Rh04 C01F 2.045(10) . ?
Rh04 N6 2.153(16) . ?
Rh04 N7 2.17(2) . ?
Rh04 N8A 2.101(17) . ?
P1 C00U 1.814(9) . ?
P1 C017 1.856(10) . ?
P1 C028 1.838(9) . ?
P1 C0 1.836(8) . ?
P2 C015 1.855(9) . ?
P2 C016 1.808(11) . ?
P2 C02A 1.842(7) . ?
P2 C02B 1.89(2) . ?
Si07 C01B 1.915(9) . ?
Si07 C01R 1.868(11) . ?
Si07 C021 1.856(13) . ?
Si07 C02K 1.862(12) . ?
Si08 C00W 1.878(11) . ?
Si08 C02C 1.868(14) . ?
Si08 C02I 1.833(12) . ?
Si08 C02O 1.852(13) . ?
S009 O00K 1.419(9) . ?
S009 O01H 1.397(11) . ?
S009 O02L 1.497(12) . ?
S009 C02R 1.816(13) . ?
Si0A C01D 1.858(12) . ?
Si0A C02E 1.853(13) . ?
Si0A C02M 1.873(15) . ?
Si0A C02Z 1.845(14) . ?
Si00 C029 1.857(14) . ?
Si00 C03H 1.792(18) . ?
Si00 C03Y 1.93(2) . ?
Si00 C045 1.83(2) . ?
F00C C02R 1.269(15) . ?
N3 C01Y 1.141(14) . ?
N2 C022 1.118(13) . ?
N1 C01U 1.121(12) . ?
N4 C02Q 1.112(15) . ?
C00I C00L 1.449(12) . ?
C00I C00M 1.516(12) . ?
C00I C00O 1.442(13) . ?
N9 C02F 1.126(13) . ?
C00L C018 1.495(12) . ?
C00L C01A 1.493(14) . ?
C00M C00R 1.397(13) . ?
C00M C00V 1.404(12) . ?
C00O C01B 1.495(12) . ?
C00Q C00X 1.506(13) . ?
C00Q C011 1.396(13) . ?
C00Q C014 1.388(14) . ?
C00R C017 1.510(13) . ?
C00R C01E 1.396(13) . ?
C00S C00X 1.445(14) . ?
C00S C013 1.497(13) . ?
C00S C01F 1.491(13) . ?
N5 C027 1.162(13) . ?
C00U C010 1.390(14) . ?
C00U C01O 1.391(13) . ?
C00V H00V 0.9500 . ?
C00V C01G 1.365(14) . ?
C00W H00W 1.0000 . ?
C00W C018 1.401(14) . ?
C00X C019 1.427(13) . ?
F00Z C02R 1.397(18) . ?
C010 H010 0.9500 . ?
C010 C024 1.391(14) . ?
C011 C015 1.485(14) . ?
C011 C01K 1.410(13) . ?
C012 C013 1.413(14) . ?
C012 C015 1.516(13) . ?
C012 C01W 1.386(13) . ?
C013 C01P 1.385(14) . ?
C014 H014 0.9500 . ?
C014 C01Z 1.396(15) . ?
C015 H015 1.0000 . ?
C016 C01L 1.374(16) . ?
C016 C01Q 1.412(15) . ?
C017 H017 1.0000 . ?
C017 C01I 1.515(13) . ?
C019 C029 1.500(16) . ?
C019 Rh 1.889(10) . ?
C01A C01I 1.416(15) . ?
C01A C01J 1.387(14) . ?
C01B H01C 0.9900 . ?
C01B H01E 0.9900 . ?
C01C H01G 0.9500 . ?
C01C C01E 1.378(14) . ?
C01C C01G 1.400(16) . ?
C01D H01D 1.0000 . ?
C01D H01A 1.0000 . ?
C01D C01F 1.410(16) . ?
C01D Rh 2.220(11) . ?
C01E H01H 0.9500 . ?
C01F H01F 1.0000 . ?
C01F H01B 1.0000 . ?
C01F Rh 2.312(11) . ?
C01G H01I 0.9500 . ?
C01I C01S 1.380(15) . ?
C01J H01J 0.9500 . ?
C01J C01X 1.391(16) . ?
C01K H01K 0.9500 . ?
C01K C01T 1.388(16) . ?
C01L H01L 0.9500 . ?
C01L C02W 1.394(17) . ?
N10 C50 1.09(2) . ?
C01O H01O 0.9500 . ?
C01O C02N 1.379(18) . ?
C01P H01P 0.9500 . ?
C01P C025 1.390(16) . ?
C01Q H01Q 0.9500 . ?
C01Q C02D 1.391(18) . ?
C01R H01M 0.9800 . ?
C01R H01N 0.9800 . ?
C01R H01R 0.9800 . ?
C01S H01S 0.9500 . ?
C01S C02H 1.397(15) . ?
C01T H01T 0.9500 . ?
C01T C01Z 1.374(17) . ?
C01U C02X 1.461(14) . ?
N8 C036 1.12(3) . ?
N8 Rh 2.08(2) . ?
C01W H01W 0.9500 . ?
C01W C020 1.383(16) . ?
C01X H01X 0.9500 . ?
C01X C02H 1.343(17) . ?
C01Y C038 1.447(19) . ?
C01Z H01Z 0.9500 . ?
C020 H020 0.9500 . ?
C020 C025 1.363(18) . ?
C021 H02M 0.9800 . ?
C021 H02N 0.9800 . ?
C021 H02O 0.9800 . ?
C022 C039 1.442(16) . ?
N6 C034 1.14(3) . ?
C024 H024 0.9500 . ?
C024 C02P 1.412(17) . ?
C025 H025 0.9500 . ?
F026 C02R 1.262(17) . ?
C027 C02T 1.447(15) . ?
C028 C030 1.3900 . ?
C028 C13 1.3900 . ?
C030 H030 0.9500 . ?
C030 C02U 1.3900 . ?
C02U H02U 0.9500 . ?
C02U C03B 1.3900 . ?
C03B H03V 0.9500 . ?
C03B C12 1.3900 . ?
C12 C12 1.39(3) 2_567 ?
C12 C13 1.3900 . ?
C13 H13 0.9500 . ?
C029 H02A 0.9900 . ?
C029 H02B 0.9900 . ?
C02A C031 1.3900 . ?
C02A C033 1.3900 . ?
C031 H031 0.9500 . ?
C031 C03A 1.3900 . ?
C03A H03A 0.9500 . ?
C03A C03F 1.3900 . ?
C03F H03F 0.9500 . ?
C03F C032 1.3900 . ?
C032 H032 0.9500 . ?
C032 C033 1.3900 . ?
C033 H033 0.9500 . ?
C02C H02P 0.9800 . ?
C02C H02Q 0.9800 . ?
C02C H02R 0.9800 . ?
C02D H02D 0.9500 . ?
C02D C02S 1.36(2) . ?
C02E H02C 0.9800 . ?
C02E H02E 0.9800 . ?
C02E H02F 0.9800 . ?
C02F C037 1.474(16) . ?
C02H H02T 0.9500 . ?
C02I H02V 0.9800 . ?
C02I H02X 0.9800 . ?
C02I H02Y 0.9800 . ?
C02K H02Z 0.9800 . ?
C02K H 0.9800 . ?
C02K HA 0.9800 . ?
C02M H02G 0.9800 . ?
C02M H02H 0.9800 . ?
C02M H02I 0.9800 . ?
C02N H02 0.9500 . ?
C02N C02P 1.36(2) . ?
C02O H0AA 0.9800 . ?
C02O HB 0.9800 . ?
C02O HC 0.9800 . ?
C02P H3AA 0.9500 . ?
C02Q C03M 1.484(19) . ?
C02S H02S 0.9500 . ?
C02S C02W 1.37(2) . ?
C02T H4AA 0.9800 . ?
C02T HD 0.9800 . ?
C02T HE 0.9800 . ?
C02W H02W 0.9500 . ?
C02X H5AA 0.9800 . ?
C02X HF 0.9800 . ?
C02X HG 0.9800 . ?
N7 C042 1.16(4) . ?
C02Z H02J 0.9800 . ?
C02Z H02K 0.9800 . ?
C02Z H02L 0.9800 . ?
C034 C03E 1.45(3) . ?
C036 C03C 1.44(4) . ?
C037 H03B 0.9800 . ?
C037 H03C 0.9800 . ?
C037 H03D 0.9800 . ?
C038 H03W 0.9800 . ?
C038 H03X 0.9800 . ?
C038 H03Y 0.9800 . ?
C039 H03Z 0.9800 . ?
C039 HH 0.9800 . ?
C039 HI 0.9800 . ?
C03C H03E 0.9800 . ?
C03C H03G 0.9800 . ?
C03C H03H 0.9800 . ?
C03E H03I 0.9800 . ?
C03E H03J 0.9800 . ?
C03E H03K 0.9800 . ?
C03H H03L 0.9800 . ?
C03H H03M 0.9800 . ?
C03H H03N 0.9800 . ?
C50 C30 1.52(3) . ?
C03M H03 0.9800 . ?
C03M HJ 0.9800 . ?
C03M HK 0.9800 . ?
C03Y H03O 0.9800 . ?
C03Y H03P 0.9800 . ?
C03Y H03Q 0.9800 . ?
C042 C04A 1.49(5) . ?
C045 H04A 0.9800 . ?
C045 H04B 0.9800 . ?
C045 H04C 0.9800 . ?
C04A H04D 0.9800 . ?
C04A H04E 0.9800 . ?
C04A H04F 0.9800 . ?
S2 O1 1.4453 . ?
S2 O4 1.4452 . ?
S2 O5 1.4473 . ?
S2 C1 1.8493 . ?
C1 F7 1.3379 . ?
C1 F8 1.3375 . ?
C1 F1 1.3395 . ?
S3 O3 1.4454 . ?
S3 O2 1.4446 . ?
S3 O6 1.4461 . ?
S3 C6 1.8522 . ?
C6 F2 1.3387 . ?
C6 F3 1.3371 . ?
C6 F9 1.3387 . ?
S4 O7 1.4468 . ?
S4 O8 1.4450 . ?
S4 O9 1.4473 . ?
S4 C2 1.8513 . ?
C2 F4 1.3370 . ?
C2 F5 1.3390 . ?
C2 F6 1.3392 . ?
S5 O10 1.4457 . ?
S5 O11 1.4452 . ?
S5 O12 1.4450 . ?
S5 C3 1.8526 . ?
C3 F10 1.3387 . ?
C3 F11 1.3381 . ?
C3 F12 1.3374 . ?
S6 O13 1.4445 . ?
S6 O14 1.4440 . ?
S6 O15 1.4448 . ?
S6 C4 1.8513 . ?
C4 F13 1.3376 . ?
C4 F14 1.3379 . ?
C4 F15 1.3396 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C5 C7 1.5078 . ?
C7 C8 1.4013 . ?
C7 C14 1.4022 . ?
C8 H8 0.9500 . ?
C8 C9 1.3975 . ?
C9 H9 0.9500 . ?
C9 C10 1.3960 . ?
C10 H10 0.9500 . ?
C10 C11 1.3968 . ?
C11 H11 0.9500 . ?
C11 C14 1.3965 . ?
C14 H14 0.9500 . ?
C13A H13A 0.9500 . ?
C13A C12A 1.3900 . ?
C13A C0 1.3900 . ?
C12A H12A 0.9500 . ?
C12A C0AA 1.3900 . ?
C0AA H0AB 0.9500 . ?
C0AA C02V 1.3900 . ?
C02V H6AA 0.9500 . ?
C02V C15 1.3900 . ?
C15 H15 0.9500 . ?
C15 C0 1.3900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C16 C17 1.5071 . ?
C17 C18 1.4022 . ?
C17 C1C 1.4027 . ?
C18 H18 0.9500 . ?
C18 C19 1.3964 . ?
C19 H19 0.9500 . ?
C19 C1A 1.3962 . ?
C1A H1A 0.9500 . ?
C1A C1B 1.3969 . ?
C1B H1B 0.9500 . ?
C1B C1C 1.3962 . ?
C1C H1C 0.9500 . ?
C1D H1DA 0.9800 . ?
C1D H1DB 0.9800 . ?
C1D H1DC 0.9800 . ?
C1D C1E 1.5072 . ?
C1E C1F 1.4009 . ?
C1E C1J 1.4035 . ?
C1F H1F 0.9500 . ?
C1F C1G 1.3965 . ?
C1G H1G 0.9500 . ?
C1G C1H 1.3970 . ?
C1H H1H 0.9500 . ?
C1H C1I 1.3960 . ?
C1I H1I 0.9500 . ?
C1I C1J 1.3967 . ?
C1J H1J 0.9500 . ?
N6A C1K 1.15(3) . ?
N6A Rh 2.185(18) . ?
C1K C2AA 1.48(4) . ?
C2AA H2AA 0.9800 . ?
C2AA H2AB 0.9800 . ?
C2AA H2AC 0.9800 . ?
N8A C1L 1.14(2) . ?
C1L C03D 1.46(3) . ?
C03D H03R 0.9800 . ?
C03D H03S 0.9800 . ?
C03D H03T 0.9800 . ?
N7A C1M 1.09(5) . ?
N7A Rh 2.10(3) . ?
C04B H04G 0.9800 . ?
C04B H04H 0.9800 . ?
C04B H04I 0.9800 . ?
C04B C1M 1.51(6) . ?
N12 C1P 1.1616 . ?
C1P C1Q 1.4541 . ?
C1Q H1QA 1.0978 . ?
C1Q H1QB 1.0973 . ?
C1Q H1QC 1.0988 . ?
N13 C1R 1.1620 . ?
C1R C1S 1.4529 . ?
C1S H1SA 1.0979 . ?
C1S H1SB 1.0983 . ?
C1S H1SC 1.0982 . ?
C1N H1NA 0.9800 . ?
C1N H1NB 0.9800 . ?
C1N H1NC 0.9800 . ?
C1N C1O 1.5085 . ?
C1O C1T 1.4021 . ?
C1O C1X 1.4024 . ?
C1T H1T 0.9500 . ?
C1T C1U 1.3967 . ?
C1U H1U 0.9500 . ?
C1U C1V 1.3963 . ?
C1V H1V 0.9500 . ?
C1V C1W 1.3963 . ?
C1W H1W 0.9500 . ?
C1W C1X 1.3958 . ?
C1X H1X 0.9500 . ?
C02B C1Z 1.3900 . ?
C02B C1Y 1.3900 . ?
C1Z H1Z 0.9500 . ?
C1Z C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C03G 1.3900 . ?
C03G H03U 0.9500 . ?
C03G C1AA 1.3900 . ?
C1AA H1AA 0.9500 . ?
C1AA C1Y 1.3900 . ?
C1Y H1Y 0.9500 . ?
S7 O19 1.4448 . ?
S7 O1A 1.4444 . ?
S7 O1B 1.4448 . ?
S7 C22 1.8518 . ?
C22 F19 1.3384 . ?
C22 F1A 1.3378 . ?
C22 F1B 1.3385 . ?
S8 O1C 1.4447 . ?
S8 O1D 1.4448 . ?
S8 O1E 1.4449 . ?
S8 C23 1.8512 . ?
C23 F17 1.3382 . ?
C23 F1C 1.3390 . ?
C23 F1D 1.3381 . ?

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
P1 Rh01 Rh02 164.27(7) . . ?
N2 Rh01 Rh02 98.7(2) . . ?
N2 Rh01 P1 92.0(2) . . ?
N2 Rh01 C00O 99.6(3) . . ?
N1 Rh01 Rh02 99.0(2) . . ?
N1 Rh01 P1 93.8(2) . . ?
N1 Rh01 N2 82.7(3) . . ?
N1 Rh01 C00I 146.8(3) . . ?
N1 Rh01 C00O 145.9(3) . . ?
C00I Rh01 Rh02 73.2(2) . . ?
C00I Rh01 P1 91.1(2) . . ?
C00I Rh01 N2 130.0(3) . . ?
C00I Rh01 C00O 39.1(3) . . ?
C00L Rh01 Rh02 74.6(3) . . ?
C00L Rh01 P1 93.0(3) . . ?
C00L Rh01 N2 169.1(3) . . ?
C00L Rh01 N1 106.6(3) . . ?
C00L Rh01 C00I 40.2(3) . . ?
C00L Rh01 C00O 69.5(4) . . ?
C00O Rh01 Rh02 47.0(2) . . ?
C00O Rh01 P1 119.9(2) . . ?
N3 Rh02 Rh01 89.3(2) . . ?
N3 Rh02 N4 85.3(3) . . ?
N3 Rh02 N5 84.3(3) . . ?
N3 Rh02 C00W 170.1(3) . . ?
N3 Rh02 C018 150.0(3) . . ?
N4 Rh02 Rh01 109.4(2) . . ?
C00O Rh02 Rh01 52.7(2) . . ?
C00O Rh02 N3 92.4(3) . . ?
C00O Rh02 N4 162.0(3) . . ?
C00O Rh02 N5 110.6(3) . . ?
C00O Rh02 C00W 95.4(4) . . ?
C00O Rh02 C018 83.5(4) . . ?
N5 Rh02 Rh01 162.0(2) . . ?
N5 Rh02 N4 86.9(3) . . ?
C00W Rh02 Rh01 100.3(3) . . ?
C00W Rh02 N4 89.1(4) . . ?
C00W Rh02 N5 87.2(4) . . ?
C018 Rh02 Rh01 64.6(2) . . ?
C018 Rh02 N4 89.6(4) . . ?
C018 Rh02 N5 125.0(3) . . ?
C018 Rh02 C00W 37.9(4) . . ?
P2 Rh03 Rh04 165.35(8) . . ?
P2 Rh03 Rh 159.22(9) . . ?
N9 Rh03 Rh04 98.6(2) . . ?
N9 Rh03 P2 92.2(2) . . ?
N9 Rh03 C00X 132.9(4) . . ?
N9 Rh03 C019 101.5(4) . . ?
N9 Rh03 Rh 96.8(2) . . ?
C00S Rh03 Rh04 73.9(2) . . ?
C00S Rh03 P2 94.2(2) . . ?
C00S Rh03 N9 170.3(4) . . ?
C00S Rh03 C00X 40.0(4) . . ?
C00S Rh03 C019 69.0(4) . . ?
C00S Rh03 N10 100.3(4) . . ?
C00S Rh03 Rh 74.8(3) . . ?
C00X Rh03 Rh04 75.5(2) . . ?
C00X Rh03 P2 89.9(2) . . ?
C00X Rh03 C019 38.9(3) . . ?
C00X Rh03 Rh 70.3(2) . . ?
C019 Rh03 Rh04 51.0(3) . . ?
C019 Rh03 P2 117.2(3) . . ?
C019 Rh03 Rh 42.5(3) . . ?
N10 Rh03 Rh04 96.2(3) . . ?
N10 Rh03 P2 94.2(3) . . ?
N10 Rh03 N9 86.5(4) . . ?
N10 Rh03 C00X 140.3(4) . . ?
N10 Rh03 C019 146.8(4) . . ?
N10 Rh03 Rh 104.9(3) . . ?
C019 Rh04 Rh03 52.5(3) . . ?
C019 Rh04 C01D 93.6(4) . . ?
C019 Rh04 N6 167.6(5) . . ?
C019 Rh04 N7 109.2(7) . . ?
C01D Rh04 Rh03 104.0(3) . . ?
C01D Rh04 N6 89.4(5) . . ?
C01D Rh04 N7 83.3(7) . . ?
C01F Rh04 Rh03 67.3(3) . . ?
C01F Rh04 C019 83.1(4) . . ?
C01F Rh04 C01D 39.6(4) . . ?
C01F Rh04 N6 91.7(5) . . ?
C01F Rh04 N7 122.8(7) . . ?
C01F Rh04 N8A 153.6(5) . . ?
N6 Rh04 Rh03 115.1(4) . . ?
N6 Rh04 N7 83.1(7) . . ?
N7 Rh04 Rh03 160.1(6) . . ?
N8A Rh04 Rh03 88.3(5) . . ?
N8A Rh04 C019 90.2(5) . . ?
N8A Rh04 C01D 166.8(6) . . ?
N8A Rh04 N6 89.5(6) . . ?
N8A Rh04 N7 83.6(8) . . ?
C00U P1 Rh01 121.2(3) . . ?
C00U P1 C017 98.6(4) . . ?
C00U P1 C028 113.0(5) . . ?
C00U P1 C0 96.6(5) . . ?
C017 P1 Rh01 107.4(3) . . ?
C028 P1 Rh01 110.1(5) . . ?
C028 P1 C017 104.2(5) . . ?
C0 P1 Rh01 121.0(4) . . ?
C0 P1 C017 109.5(5) . . ?
C015 P2 Rh03 107.2(3) . . ?
C015 P2 C02B 108.8(9) . . ?
C016 P2 Rh03 120.0(3) . . ?
C016 P2 C015 101.3(4) . . ?
C016 P2 C02A 101.1(5) . . ?
C016 P2 C02B 113.3(9) . . ?
C02A P2 Rh03 119.0(3) . . ?
C02A P2 C015 106.1(4) . . ?
C02B P2 Rh03 105.6(9) . . ?
C01R Si07 C01B 113.7(5) . . ?
C021 Si07 C01B 108.6(5) . . ?
C021 Si07 C01R 109.9(5) . . ?
C021 Si07 C02K 109.9(6) . . ?
C02K Si07 C01B 106.7(5) . . ?
C02K Si07 C01R 107.9(6) . . ?
C02C Si08 C00W 103.2(5) . . ?
C02I Si08 C00W 116.4(5) . . ?
C02I Si08 C02C 106.8(7) . . ?
C02I Si08 C02O 111.6(6) . . ?
C02O Si08 C00W 111.8(6) . . ?
C02O Si08 C02C 106.1(7) . . ?
O00K S009 O02L 112.9(8) . . ?
O00K S009 C02R 102.8(7) . . ?
O01H S009 O00K 118.5(6) . . ?
O01H S009 O02L 112.7(8) . . ?
O01H S009 C02R 106.0(7) . . ?
O02L S009 C02R 101.5(7) . . ?
C01D Si0A C02M 104.0(7) . . ?
C02E Si0A C01D 107.7(5) . . ?
C02E Si0A C02M 107.4(6) . . ?
C02Z Si0A C01D 116.0(6) . . ?
C02Z Si0A C02E 114.3(8) . . ?
C02Z Si0A C02M 106.6(8) . . ?
C029 Si00 C03Y 108.3(8) . . ?
C03H Si00 C029 115.8(7) . . ?
C03H Si00 C03Y 107.9(11) . . ?
C03H Si00 C045 113.8(13) . . ?
C045 Si00 C029 102.3(9) . . ?
C045 Si00 C03Y 108.5(15) . . ?
C01Y N3 Rh02 166.7(8) . . ?
C022 N2 Rh01 169.8(8) . . ?
C01U N1 Rh01 171.2(8) . . ?
C02Q N4 Rh02 168.5(10) . . ?
C00L C00I Rh01 67.4(5) . . ?
C00L C00I C00M 123.3(8) . . ?
C00M C00I Rh01 123.4(6) . . ?
C00O C00I Rh01 71.5(5) . . ?
C00O C00I C00L 113.4(8) . . ?
C00O C00I C00M 122.7(8) . . ?
C02F N9 Rh03 172.8(9) . . ?
C00I C00L Rh01 72.4(5) . . ?
C00I C00L C018 116.2(8) . . ?
C00I C00L C01A 124.8(8) . . ?
C018 C00L Rh01 93.3(6) . . ?
C01A C00L Rh01 123.9(6) . . ?
C01A C00L C018 114.8(8) . . ?
C00R C00M C00I 122.6(8) . . ?
C00R C00M C00V 119.0(8) . . ?
C00V C00M C00I 118.4(8) . . ?
Rh02 C00O Rh01 80.3(3) . . ?
C00I C00O Rh01 69.4(5) . . ?
C00I C00O Rh02 115.0(6) . . ?
C00I C00O C01B 122.8(8) . . ?
C01B C00O Rh01 119.1(6) . . ?
C01B C00O Rh02 122.2(7) . . ?
C011 C00Q C00X 123.0(8) . . ?
C014 C00Q C00X 117.9(8) . . ?
C014 C00Q C011 119.2(9) . . ?
C00M C00R C017 122.4(8) . . ?
C01E C00R C00M 118.9(9) . . ?
C01E C00R C017 118.6(9) . . ?
C00X C00S Rh03 72.0(5) . . ?
C00X C00S C013 124.7(8) . . ?
C00X C00S C01F 116.2(8) . . ?
C013 C00S Rh03 120.2(6) . . ?
C01F C00S Rh03 93.6(5) . . ?
C01F C00S C013 116.2(8) . . ?
C027 N5 Rh02 176.9(9) . . ?
C010 C00U P1 120.0(6) . . ?
C010 C00U C01O 119.2(9) . . ?
C01O C00U P1 120.2(8) . . ?
C00M C00V H00V 119.2 . . ?
C01G C00V C00M 121.5(9) . . ?
C01G C00V H00V 119.2 . . ?
Rh02 C00W H00W 106.0 . . ?
Si08 C00W Rh02 133.2(5) . . ?
Si08 C00W H00W 106.0 . . ?
C018 C00W Rh02 70.6(6) . . ?
C018 C00W Si08 129.7(8) . . ?
C018 C00W H00W 106.0 . . ?
C00Q C00X Rh03 124.8(6) . . ?
C00S C00X Rh03 68.0(5) . . ?
C00S C00X C00Q 123.5(8) . . ?
C019 C00X Rh03 70.8(6) . . ?
C019 C00X C00Q 122.9(9) . . ?
C019 C00X C00S 113.3(9) . . ?
C00U C010 H010 119.5 . . ?
C00U C010 C024 120.9(9) . . ?
C024 C010 H010 119.5 . . ?
C00Q C011 C015 121.7(8) . . ?
C00Q C011 C01K 119.3(9) . . ?
C01K C011 C015 119.0(9) . . ?
C013 C012 C015 122.2(8) . . ?
C01W C012 C013 120.3(9) . . ?
C01W C012 C015 117.5(9) . . ?
C012 C013 C00S 122.5(8) . . ?
C01P C013 C00S 119.3(9) . . ?
C01P C013 C012 118.3(9) . . ?
C00Q C014 H014 119.8 . . ?
C00Q C014 C01Z 120.5(10) . . ?
C01Z C014 H014 119.8 . . ?
P2 C015 H015 107.9 . . ?
C011 C015 P2 108.7(6) . . ?
C011 C015 C012 111.5(7) . . ?
C011 C015 H015 107.9 . . ?
C012 C015 P2 112.7(6) . . ?
C012 C015 H015 107.9 . . ?
C01L C016 P2 122.4(8) . . ?
C01L C016 C01Q 118.6(10) . . ?
C01Q C016 P2 118.9(8) . . ?
P1 C017 H017 108.0 . . ?
C00R C017 P1 108.1(6) . . ?
C00R C017 H017 108.0 . . ?
C00R C017 C01I 111.2(8) . . ?
C01I C017 P1 113.5(7) . . ?
C01I C017 H017 108.0 . . ?
C00L C018 Rh02 105.0(6) . . ?
C00W C018 Rh02 71.5(6) . . ?
C00W C018 C00L 124.9(8) . . ?
Rh04 C019 Rh03 76.6(4) . . ?
C00X C019 Rh03 70.3(6) . . ?
C00X C019 Rh04 111.9(7) . . ?
C00X C019 C029 122.3(10) . . ?
C00X C019 Rh 120.4(8) . . ?
C029 C019 Rh03 120.5(7) . . ?
C029 C019 Rh04 125.8(7) . . ?
C029 C019 Rh 116.8(7) . . ?
Rh C019 Rh03 87.2(4) . . ?
C01I C01A C00L 122.0(8) . . ?
C01J C01A C00L 120.0(9) . . ?
C01J C01A C01I 117.9(9) . . ?
Si07 C01B H01C 107.1 . . ?
Si07 C01B H01E 107.1 . . ?
C00O C01B Si07 120.9(6) . . ?
C00O C01B H01C 107.1 . . ?
C00O C01B H01E 107.1 . . ?
H01C C01B H01E 106.8 . . ?
C01E C01C H01G 120.2 . . ?
C01E C01C C01G 119.7(9) . . ?
C01G C01C H01G 120.2 . . ?
Rh04 C01D H01D 104.3 . . ?
Si0A C01D Rh04 137.0(7) . . ?
Si0A C01D H01D 104.3 . . ?
Si0A C01D H01A 106.2 . . ?
Si0A C01D Rh 125.4(7) . . ?
C01F C01D Rh04 67.6(6) . . ?
C01F C01D Si0A 132.9(8) . . ?
C01F C01D H01D 104.3 . . ?
C01F C01D H01A 106.2 . . ?
C01F C01D Rh 75.4(6) . . ?
Rh C01D H01A 106.2 . . ?
C00R C01E H01H 119.3 . . ?
C01C C01E C00R 121.3(10) . . ?
C01C C01E H01H 119.3 . . ?
Rh04 C01F H01F 114.3 . . ?
C00S C01F Rh04 107.5(6) . . ?
C00S C01F H01F 114.3 . . ?
C00S C01F H01B 115.9 . . ?
C00S C01F Rh 102.7(6) . . ?
C01D C01F Rh04 72.8(6) . . ?
C01D C01F C00S 125.5(10) . . ?
C01D C01F H01F 114.3 . . ?
C01D C01F H01B 115.9 . . ?
C01D C01F Rh 68.4(6) . . ?
Rh C01F H01B 115.9 . . ?
C00V C01G C01C 119.5(9) . . ?
C00V C01G H01I 120.3 . . ?
C01C C01G H01I 120.3 . . ?
C01A C01I C017 121.3(9) . . ?
C01S C01I C017 119.3(10) . . ?
C01S C01I C01A 119.4(9) . . ?
C01A C01J H01J 119.5 . . ?
C01A C01J C01X 121.0(11) . . ?
C01X C01J H01J 119.5 . . ?
C011 C01K H01K 119.4 . . ?
C01T C01K C011 121.2(10) . . ?
C01T C01K H01K 119.4 . . ?
C016 C01L H01L 119.6 . . ?
C016 C01L C02W 120.7(12) . . ?
C02W C01L H01L 119.6 . . ?
C50 N10 Rh03 171.4(17) . . ?
C00U C01O H01O 119.8 . . ?
C02N C01O C00U 120.4(11) . . ?
C02N C01O H01O 119.8 . . ?
C013 C01P H01P 119.6 . . ?
C013 C01P C025 120.7(11) . . ?
C025 C01P H01P 119.6 . . ?
C016 C01Q H01Q 120.5 . . ?
C02D C01Q C016 119.1(12) . . ?
C02D C01Q H01Q 120.5 . . ?
Si07 C01R H01M 109.5 . . ?
Si07 C01R H01N 109.5 . . ?
Si07 C01R H01R 109.5 . . ?
H01M C01R H01N 109.5 . . ?
H01M C01R H01R 109.5 . . ?
H01N C01R H01R 109.5 . . ?
C01I C01S H01S 119.3 . . ?
C01I C01S C02H 121.5(11) . . ?
C02H C01S H01S 119.3 . . ?
C01K C01T H01T 120.7 . . ?
C01Z C01T C01K 118.6(10) . . ?
C01Z C01T H01T 120.7 . . ?
N1 C01U C02X 177.5(12) . . ?
C036 N8 Rh 171(2) . . ?
C012 C01W H01W 120.1 . . ?
C020 C01W C012 119.8(11) . . ?
C020 C01W H01W 120.1 . . ?
C01J C01X H01X 119.3 . . ?
C02H C01X C01J 121.3(10) . . ?
C02H C01X H01X 119.3 . . ?
N3 C01Y C038 178.8(12) . . ?
C014 C01Z H01Z 119.4 . . ?
C01T C01Z C014 121.2(10) . . ?
C01T C01Z H01Z 119.4 . . ?
C01W C020 H020 119.7 . . ?
C025 C020 C01W 120.6(10) . . ?
C025 C020 H020 119.7 . . ?
Si07 C021 H02M 109.5 . . ?
Si07 C021 H02N 109.5 . . ?
Si07 C021 H02O 109.5 . . ?
H02M C021 H02N 109.5 . . ?
H02M C021 H02O 109.5 . . ?
H02N C021 H02O 109.5 . . ?
N2 C022 C039 176.6(13) . . ?
C034 N6 Rh04 169.3(15) . . ?
C010 C024 H024 120.8 . . ?
C010 C024 C02P 118.3(11) . . ?
C02P C024 H024 120.8 . . ?
C01P C025 H025 119.8 . . ?
C020 C025 C01P 120.3(10) . . ?
C020 C025 H025 119.8 . . ?
N5 C027 C02T 178.9(14) . . ?
C030 C028 P1 116.2(7) . . ?
C030 C028 C13 120.0 . . ?
C13 C028 P1 123.5(7) . . ?
C028 C030 H030 120.0 . . ?
C02U C030 C028 120.0 . . ?
C02U C030 H030 120.0 . . ?
C030 C02U H02U 120.0 . . ?
C030 C02U C03B 120.0 . . ?
C03B C02U H02U 120.0 . . ?
C02U C03B H03V 120.0 . . ?
C02U C03B C12 120.0 . . ?
C12 C03B H03V 120.0 . . ?
C03B C12 C12 116.4(17) . 2_567 ?
C13 C12 C03B 120.0 . . ?
C13 C12 C12 102.0(16) . 2_567 ?
C028 C13 H13 120.0 . . ?
C12 C13 C028 120.0 . . ?
C12 C13 H13 120.0 . . ?
Si00 C029 H02A 106.2 . . ?
Si00 C029 H02B 106.2 . . ?
C019 C029 Si00 124.5(8) . . ?
C019 C029 H02A 106.2 . . ?
C019 C029 H02B 106.2 . . ?
H02A C029 H02B 106.4 . . ?
C031 C02A P2 123.4(5) . . ?
C031 C02A C033 120.0 . . ?
C033 C02A P2 116.4(5) . . ?
C02A C031 H031 120.0 . . ?
C02A C031 C03A 120.0 . . ?
C03A C031 H031 120.0 . . ?
C031 C03A H03A 120.0 . . ?
C031 C03A C03F 120.0 . . ?
C03F C03A H03A 120.0 . . ?
C03A C03F H03F 120.0 . . ?
C032 C03F C03A 120.0 . . ?
C032 C03F H03F 120.0 . . ?
C03F C032 H032 120.0 . . ?
C03F C032 C033 120.0 . . ?
C033 C032 H032 120.0 . . ?
C02A C033 H033 120.0 . . ?
C032 C033 C02A 120.0 . . ?
C032 C033 H033 120.0 . . ?
Si08 C02C H02P 109.5 . . ?
Si08 C02C H02Q 109.5 . . ?
Si08 C02C H02R 109.5 . . ?
H02P C02C H02Q 109.5 . . ?
H02P C02C H02R 109.5 . . ?
H02Q C02C H02R 109.5 . . ?
C01Q C02D H02D 119.2 . . ?
C02S C02D C01Q 121.7(12) . . ?
C02S C02D H02D 119.2 . . ?
Si0A C02E H02C 109.5 . . ?
Si0A C02E H02E 109.5 . . ?
Si0A C02E H02F 109.5 . . ?
H02C C02E H02E 109.5 . . ?
H02C C02E H02F 109.5 . . ?
H02E C02E H02F 109.5 . . ?
N9 C02F C037 179.0(16) . . ?
C01S C02H H02T 120.6 . . ?
C01X C02H C01S 118.9(10) . . ?
C01X C02H H02T 120.6 . . ?
Si08 C02I H02V 109.5 . . ?
Si08 C02I H02X 109.5 . . ?
Si08 C02I H02Y 109.5 . . ?
H02V C02I H02X 109.5 . . ?
H02V C02I H02Y 109.5 . . ?
H02X C02I H02Y 109.5 . . ?
Si07 C02K H02Z 109.5 . . ?
Si07 C02K H 109.5 . . ?
Si07 C02K HA 109.5 . . ?
H02Z C02K H 109.5 . . ?
H02Z C02K HA 109.5 . . ?
H C02K HA 109.5 . . ?
Si0A C02M H02G 109.5 . . ?
Si0A C02M H02H 109.5 . . ?
Si0A C02M H02I 109.5 . . ?
H02G C02M H02H 109.5 . . ?
H02G C02M H02I 109.5 . . ?
H02H C02M H02I 109.5 . . ?
C01O C02N H02 119.7 . . ?
C02P C02N C01O 120.5(11) . . ?
C02P C02N H02 119.7 . . ?
Si08 C02O H0AA 109.5 . . ?
Si08 C02O HB 109.5 . . ?
Si08 C02O HC 109.5 . . ?
H0AA C02O HB 109.5 . . ?
H0AA C02O HC 109.5 . . ?
HB C02O HC 109.5 . . ?
C024 C02P H3AA 119.7 . . ?
C02N C02P C024 120.6(11) . . ?
C02N C02P H3AA 119.7 . . ?
N4 C02Q C03M 179(2) . . ?
F00C C02R S009 111.8(10) . . ?
F00C C02R F00Z 104.6(11) . . ?
F00Z C02R S009 108.5(10) . . ?
F026 C02R S009 113.7(10) . . ?
F026 C02R F00C 113.5(14) . . ?
F026 C02R F00Z 103.7(13) . . ?
C02D C02S H02S 120.3 . . ?
C02D C02S C02W 119.4(12) . . ?
C02W C02S H02S 120.3 . . ?
C027 C02T H4AA 109.5 . . ?
C027 C02T HD 109.5 . . ?
C027 C02T HE 109.5 . . ?
H4AA C02T HD 109.5 . . ?
H4AA C02T HE 109.5 . . ?
HD C02T HE 109.5 . . ?
C01L C02W H02W 119.7 . . ?
C02S C02W C01L 120.5(14) . . ?
C02S C02W H02W 119.7 . . ?
C01U C02X H5AA 109.5 . . ?
C01U C02X HF 109.5 . . ?
C01U C02X HG 109.5 . . ?
H5AA C02X HF 109.5 . . ?
H5AA C02X HG 109.5 . . ?
HF C02X HG 109.5 . . ?
C042 N7 Rh04 174(2) . . ?
Si0A C02Z H02J 109.5 . . ?
Si0A C02Z H02K 109.5 . . ?
Si0A C02Z H02L 109.5 . . ?
H02J C02Z H02K 109.5 . . ?
H02J C02Z H02L 109.5 . . ?
H02K C02Z H02L 109.5 . . ?
N6 C034 C03E 178(3) . . ?
N8 C036 C03C 176(3) . . ?
C02F C037 H03B 109.5 . . ?
C02F C037 H03C 109.5 . . ?
C02F C037 H03D 109.5 . . ?
H03B C037 H03C 109.5 . . ?
H03B C037 H03D 109.5 . . ?
H03C C037 H03D 109.5 . . ?
C01Y C038 H03W 109.5 . . ?
C01Y C038 H03X 109.5 . . ?
C01Y C038 H03Y 109.5 . . ?
H03W C038 H03X 109.5 . . ?
H03W C038 H03Y 109.5 . . ?
H03X C038 H03Y 109.5 . . ?
C022 C039 H03Z 109.5 . . ?
C022 C039 HH 109.5 . . ?
C022 C039 HI 109.5 . . ?
H03Z C039 HH 109.5 . . ?
H03Z C039 HI 109.5 . . ?
HH C039 HI 109.5 . . ?
C036 C03C H03E 109.5 . . ?
C036 C03C H03G 109.5 . . ?
C036 C03C H03H 109.5 . . ?
H03E C03C H03G 109.5 . . ?
H03E C03C H03H 109.5 . . ?
H03G C03C H03H 109.5 . . ?
C034 C03E H03I 109.5 . . ?
C034 C03E H03J 109.5 . . ?
C034 C03E H03K 109.5 . . ?
H03I C03E H03J 109.5 . . ?
H03I C03E H03K 109.5 . . ?
H03J C03E H03K 109.5 . . ?
Si00 C03H H03L 109.5 . . ?
Si00 C03H H03M 109.5 . . ?
Si00 C03H H03N 109.5 . . ?
H03L C03H H03M 109.5 . . ?
H03L C03H H03N 109.5 . . ?
H03M C03H H03N 109.5 . . ?
N10 C50 C30 179(3) . . ?
C02Q C03M H03 109.5 . . ?
C02Q C03M HJ 109.5 . . ?
C02Q C03M HK 109.5 . . ?
H03 C03M HJ 109.5 . . ?
H03 C03M HK 109.5 . . ?
HJ C03M HK 109.5 . . ?
Si00 C03Y H03O 109.5 . . ?
Si00 C03Y H03P 109.5 . . ?
Si00 C03Y H03Q 109.5 . . ?
H03O C03Y H03P 109.5 . . ?
H03O C03Y H03Q 109.5 . . ?
H03P C03Y H03Q 109.5 . . ?
N7 C042 C04A 178(4) . . ?
Si00 C045 H04A 109.5 . . ?
Si00 C045 H04B 109.5 . . ?
Si00 C045 H04C 109.5 . . ?
H04A C045 H04B 109.5 . . ?
H04A C045 H04C 109.5 . . ?
H04B C045 H04C 109.5 . . ?
C042 C04A H04D 109.5 . . ?
C042 C04A H04E 109.5 . . ?
C042 C04A H04F 109.5 . . ?
H04D C04A H04E 109.5 . . ?
H04D C04A H04F 109.5 . . ?
H04E C04A H04F 109.5 . . ?
O1 S2 O5 115.4 . . ?
O1 S2 C1 102.4 . . ?
O4 S2 O1 115.5 . . ?
O4 S2 O5 115.6 . . ?
O4 S2 C1 102.5 . . ?
O5 S2 C1 102.4 . . ?
F7 C1 S2 111.9 . . ?
F7 C1 F1 106.8 . . ?
F8 C1 S2 112.0 . . ?
F8 C1 F7 106.9 . . ?
F8 C1 F1 107.0 . . ?
F1 C1 S2 111.8 . . ?
O3 S3 O6 115.4 . . ?
O3 S3 C6 102.3 . . ?
O2 S3 O3 115.6 . . ?
O2 S3 O6 115.6 . . ?
O2 S3 C6 102.4 . . ?
O6 S3 C6 102.4 . . ?
F2 C6 S3 111.8 . . ?
F3 C6 S3 111.9 . . ?
F3 C6 F2 107.0 . . ?
F3 C6 F9 107.0 . . ?
F9 C6 S3 111.8 . . ?
F9 C6 F2 106.9 . . ?
O7 S4 O9 115.6 . . ?
O7 S4 C2 102.4 . . ?
O8 S4 O7 115.4 . . ?
O8 S4 O9 115.5 . . ?
O8 S4 C2 102.4 . . ?
O9 S4 C2 102.4 . . ?
F4 C2 S4 111.9 . . ?
F4 C2 F5 107.0 . . ?
F4 C2 F6 107.0 . . ?
F5 C2 S4 111.8 . . ?
F5 C2 F6 107.0 . . ?
F6 C2 S4 111.9 . . ?
O10 S5 C3 102.4 . . ?
O11 S5 O10 115.5 . . ?
O11 S5 C3 102.4 . . ?
O12 S5 O10 115.6 . . ?
O12 S5 O11 115.5 . . ?
O12 S5 C3 102.4 . . ?
F10 C3 S5 111.8 . . ?
F11 C3 S5 111.8 . . ?
F11 C3 F10 107.0 . . ?
F12 C3 S5 111.9 . . ?
F12 C3 F10 107.0 . . ?
F12 C3 F11 107.0 . . ?
O13 S6 O15 115.5 . . ?
O13 S6 C4 102.4 . . ?
O14 S6 O13 115.5 . . ?
O14 S6 O15 115.6 . . ?
O14 S6 C4 102.4 . . ?
O15 S6 C4 102.3 . . ?
F13 C4 S6 111.9 . . ?
F13 C4 F14 107.0 . . ?
F13 C4 F15 107.0 . . ?
F14 C4 S6 111.9 . . ?
F14 C4 F15 107.0 . . ?
F15 C4 S6 111.8 . . ?
C50 C30 H30A 109.5 . . ?
C50 C30 H30B 109.5 . . ?
C50 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C5 H5A 109.5 . . ?
C7 C5 H5B 109.5 . . ?
C7 C5 H5C 109.5 . . ?
C8 C7 C5 120.9 . . ?
C8 C7 C14 118.2 . . ?
C14 C7 C5 120.9 . . ?
C7 C8 H8 119.5 . . ?
C9 C8 C7 121.1 . . ?
C9 C8 H8 119.5 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.1 . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.3 . . ?
C9 C10 C11 119.5 . . ?
C11 C10 H10 120.3 . . ?
C10 C11 H11 119.9 . . ?
C14 C11 C10 120.1 . . ?
C14 C11 H11 119.9 . . ?
C7 C14 H14 119.5 . . ?
C11 C14 C7 121.1 . . ?
C11 C14 H14 119.5 . . ?
C12A C13A H13A 120.0 . . ?
C12A C13A C0 120.0 . . ?
C0 C13A H13A 120.0 . . ?
C13A C12A H12A 120.0 . . ?
C13A C12A C0AA 120.0 . . ?
C0AA C12A H12A 120.0 . . ?
C12A C0AA H0AB 120.0 . . ?
C12A C0AA C02V 120.0 . . ?
C02V C0AA H0AB 120.0 . . ?
C0AA C02V H6AA 120.0 . . ?
C0AA C02V C15 120.0 . . ?
C15 C02V H6AA 120.0 . . ?
C02V C15 H15 120.0 . . ?
C0 C15 C02V 120.0 . . ?
C0 C15 H15 120.0 . . ?
C13A C0 P1 122.2(6) . . ?
C15 C0 P1 117.8(6) . . ?
C15 C0 C13A 120.0 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C17 C16 H16A 109.5 . . ?
C17 C16 H16B 109.5 . . ?
C17 C16 H16C 109.5 . . ?
C18 C17 C16 121.0 . . ?
C18 C17 C1C 118.1 . . ?
C1C C17 C16 120.9 . . ?
C17 C18 H18 119.4 . . ?
C19 C18 C17 121.1 . . ?
C19 C18 H18 119.4 . . ?
C18 C19 H19 119.9 . . ?
C1A C19 C18 120.1 . . ?
C1A C19 H19 119.9 . . ?
C19 C1A H1A 120.3 . . ?
C19 C1A C1B 119.5 . . ?
C1B C1A H1A 120.3 . . ?
C1A C1B H1B 119.9 . . ?
C1C C1B C1A 120.2 . . ?
C1C C1B H1B 119.9 . . ?
C17 C1C H1C 119.5 . . ?
C1B C1C C17 121.0 . . ?
C1B C1C H1C 119.5 . . ?
H1DA C1D H1DB 109.5 . . ?
H1DA C1D H1DC 109.5 . . ?
H1DB C1D H1DC 109.5 . . ?
C1E C1D H1DA 109.5 . . ?
C1E C1D H1DB 109.5 . . ?
C1E C1D H1DC 109.5 . . ?
C1F C1E C1D 121.0 . . ?
C1F C1E C1J 118.2 . . ?
C1J C1E C1D 120.9 . . ?
C1E C1F H1F 119.5 . . ?
C1G C1F C1E 121.1 . . ?
C1G C1F H1F 119.5 . . ?
C1F C1G H1G 119.9 . . ?
C1F C1G C1H 120.2 . . ?
C1H C1G H1G 119.9 . . ?
C1G C1H H1H 120.3 . . ?
C1I C1H C1G 119.4 . . ?
C1I C1H H1H 120.3 . . ?
C1H C1I H1I 119.9 . . ?
C1H C1I C1J 120.2 . . ?
C1J C1I H1I 119.9 . . ?
C1E C1J H1J 119.5 . . ?
C1I C1J C1E 121.0 . . ?
C1I C1J H1J 119.5 . . ?
C1K N6A Rh 165(2) . . ?
N6A C1K C2AA 178(3) . . ?
C1K C2AA H2AA 109.5 . . ?
C1K C2AA H2AB 109.5 . . ?
C1K C2AA H2AC 109.5 . . ?
H2AA C2AA H2AB 109.5 . . ?
H2AA C2AA H2AC 109.5 . . ?
H2AB C2AA H2AC 109.5 . . ?
C1L N8A Rh04 169.0(17) . . ?
N8A C1L C03D 175(2) . . ?
C1L C03D H03R 109.5 . . ?
C1L C03D H03S 109.5 . . ?
C1L C03D H03T 109.5 . . ?
H03R C03D H03S 109.5 . . ?
H03R C03D H03T 109.5 . . ?
H03S C03D H03T 109.5 . . ?
C1M N7A Rh 176(3) . . ?
H04G C04B H04H 109.5 . . ?
H04G C04B H04I 109.5 . . ?
H04H C04B H04I 109.5 . . ?
C1M C04B H04G 109.5 . . ?
C1M C04B H04H 109.5 . . ?
C1M C04B H04I 109.5 . . ?
N7A C1M C04B 174(5) . . ?
C019 Rh Rh03 50.2(3) . . ?
C019 Rh C01D 96.5(4) . . ?
C019 Rh C01F 81.1(4) . . ?
C019 Rh N8 92.9(6) . . ?
C019 Rh N6A 163.9(6) . . ?
C019 Rh N7A 116.4(8) . . ?
C01D Rh Rh03 96.4(3) . . ?
C01D Rh C01F 36.2(4) . . ?
C01F Rh Rh03 61.4(2) . . ?
N8 Rh Rh03 92.6(6) . . ?
N8 Rh C01D 169.8(6) . . ?
N8 Rh C01F 150.5(6) . . ?
N8 Rh N6A 89.2(7) . . ?
N8 Rh N7A 79.1(10) . . ?
N6A Rh Rh03 113.8(5) . . ?
N6A Rh C01D 82.8(6) . . ?
N6A Rh C01F 89.2(6) . . ?
N7A Rh Rh03 164.4(8) . . ?
N7A Rh C01D 93.2(8) . . ?
N7A Rh C01F 129.4(8) . . ?
N7A Rh N6A 79.7(9) . . ?
N12 C1P C1Q 179.9(2) . . ?
C1P C1Q H1QA 110.3 . . ?
C1P C1Q H1QB 110.3 . . ?
C1P C1Q H1QC 110.2 . . ?
H1QA C1Q H1QB 108.7 . . ?
H1QA C1Q H1QC 108.6 . . ?
H1QB C1Q H1QC 108.7 . . ?
N13 C1R C1S 179.95(19) . . ?
C1R C1S H1SA 110.3 . . ?
C1R C1S H1SB 110.3 . . ?
C1R C1S H1SC 110.4 . . ?
H1SA C1S H1SB 108.6 . . ?
H1SA C1S H1SC 108.6 . . ?
H1SB C1S H1SC 108.6 . . ?
H1NA C1N H1NB 109.5 . . ?
H1NA C1N H1NC 109.5 . . ?
H1NB C1N H1NC 109.5 . . ?
C1O C1N H1NA 109.5 . . ?
C1O C1N H1NB 109.5 . . ?
C1O C1N H1NC 109.5 . . ?
C1T C1O C1N 120.9 . . ?
C1T C1O C1X 118.1 . . ?
C1X C1O C1N 120.9 . . ?
C1O C1T H1T 119.5 . . ?
C1U C1T C1O 121.1 . . ?
C1U C1T H1T 119.5 . . ?
C1T C1U H1U 120.0 . . ?
C1V C1U C1T 120.1 . . ?
C1V C1U H1U 120.0 . . ?
C1U C1V H1V 120.2 . . ?
C1W C1V C1U 119.5 . . ?
C1W C1V H1V 120.2 . . ?
C1V C1W H1W 119.9 . . ?
C1X C1W C1V 120.1 . . ?
C1X C1W H1W 119.9 . . ?
C1O C1X H1X 119.5 . . ?
C1W C1X C1O 121.1 . . ?
C1W C1X H1X 119.5 . . ?
C1Z C02B P2 118.4(15) . . ?
C1Z C02B C1Y 120.0 . . ?
C1Y C02B P2 121.6(15) . . ?
C02B C1Z H1Z 120.0 . . ?
C02B C1Z C20 120.0 . . ?
C20 C1Z H1Z 120.0 . . ?
C1Z C20 H20 120.0 . . ?
C03G C20 C1Z 120.0 . . ?
C03G C20 H20 120.0 . . ?
C20 C03G H03U 120.0 . . ?
C1AA C03G C20 120.0 . . ?
C1AA C03G H03U 120.0 . . ?
C03G C1AA H1AA 120.0 . . ?
C03G C1AA C1Y 120.0 . . ?
C1Y C1AA H1AA 120.0 . . ?
C02B C1Y H1Y 120.0 . . ?
C1AA C1Y C02B 120.0 . . ?
C1AA C1Y H1Y 120.0 . . ?
O19 S7 O1B 115.5 . . ?
O19 S7 C22 102.4 . . ?
O1A S7 O19 115.5 . . ?
O1A S7 O1B 115.5 . . ?
O1A S7 C22 102.4 . . ?
O1B S7 C22 102.4 . . ?
F19 C22 S7 111.9 . . ?
F19 C22 F1B 107.0 . . ?
F1A C22 S7 111.9 . . ?
F1A C22 F19 107.0 . . ?
F1A C22 F1B 107.0 . . ?
F1B C22 S7 111.8 . . ?
O1C S8 O1D 115.6 . . ?
O1C S8 O1E 115.5 . . ?
O1C S8 C23 102.4 . . ?
O1D S8 O1E 115.5 . . ?
O1D S8 C23 102.4 . . ?
O1E S8 C23 102.4 . . ?
F17 C23 S8 111.9 . . ?
F17 C23 F1C 107.0 . . ?
F1C C23 S8 111.9 . . ?
F1D C23 S8 111.9 . . ?
F1D C23 F17 107.0 . . ?
F1D C23 F1C 106.9 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_pjxr08_2
_database_code_depnum_ccdc_archive 'CCDC 1919546'
loop_
_audit_author_name
_audit_author_address
'Pascal Jurt'
;ETH Zurich
Switzerland
;
_audit_update_record             
;
2019-05-29 deposited with the CCDC.	2019-07-08 downloaded from the CCDC.
;
_audit_creation_date             2019-05-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.22(C39 H37 F6 O6 P Rh2 S2 Si2)'
_chemical_formula_sum            
'C8.67 H8.22 F1.33 O1.33 P0.22 Rh0.44 S0.44 Si0.44'
_chemical_formula_weight         238.39
_chemical_melting_point          ?
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'
F F 0.0171 0.0103 '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'
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'
S S 0.1246 0.1234 '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'

_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                   10.5393(3)
_cell_length_b                   13.5890(4)
_cell_length_c                   15.1402(4)
_cell_angle_alpha                90.049(2)
_cell_angle_beta                 96.419(2)
_cell_angle_gamma                91.948(2)
_cell_volume                     2153.49(11)
_cell_formula_units_Z            9
_cell_measurement_reflns_used    15752
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      32.3570
_cell_measurement_theta_min      3.0590
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.68585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.23a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1076
_exptl_crystal_preparation       ?
_exptl_crystal_recrystallization_method 'DCM layer hexane'
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0560
_diffrn_reflns_av_unetI/netI     0.0490
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            67993
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         31.506
_diffrn_reflns_theta_min         2.871
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Oxford Diffraction Sapphire 3'
_diffrn_detector_area_resol_mean 8.26
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -63.00  47.00   1.00    2.42    --  -25.15  19.00 150.00  110
  2  ω    -54.00  44.00   1.00    2.42    --  -25.15  77.00 -30.00   98
  3  ω   -100.00 -32.00   1.00    2.42    --  -25.15 179.00-180.00   68
  4  ω    -94.00  -7.00   1.00    2.42    --  -25.15 -57.00 -30.00   87
  5  ω    -94.00   3.00   1.00    2.42    --  -25.15 -77.00-150.00   97
  6  ω      0.00  83.00   1.00    2.42    --   25.62-129.00 179.00   83
  7  ω    -25.00  66.00   1.00    2.42    --   25.62 -99.00  30.00   91
  8  ω    -94.00   3.00   1.00    2.42    --  -25.15 -77.00  30.00   97
  9  ω    -94.00  -7.00   1.00    2.42    --  -25.15 -57.00 120.00   87
 10  ω    -94.00  -7.00   1.00    2.42    --  -25.15 -57.00 -90.00   87
 11  ω    -94.00  -7.00   1.00    2.42    --  -25.15 -57.00  60.00   87
 12  ω    -44.00  54.00   1.00    2.42    --   25.62 -77.00-120.00   98
 13  ω     34.00 100.00   1.00    2.42    --   25.62 179.00 -60.00   66
 14  ω      3.00  49.00   1.00    2.42    --   25.62  38.00-180.00   46
;
_diffrn_measurement_device       'kappa-stage diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur S'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0152109000
_diffrn_orient_matrix_UB_12      -0.0300316000
_diffrn_orient_matrix_UB_13      0.0377406000
_diffrn_orient_matrix_UB_21      -0.0022800000
_diffrn_orient_matrix_UB_22      0.0414956000
_diffrn_orient_matrix_UB_23      0.0281594000
_diffrn_orient_matrix_UB_31      -0.0659960000
_diffrn_orient_matrix_UB_32      -0.0101946000
_diffrn_orient_matrix_UB_33      0.0023094000
_diffrn_radiation_monochromator  'focusing graphite'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11441
_reflns_number_total             14224
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_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       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.577
_refine_diff_density_rms         0.108
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         14224
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0503
_refine_ls_R_factor_gt           0.0334
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.238
_refine_ls_shift/su_mean         0.009
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0250P)²+0.8500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0660
_refine_ls_wR_factor_ref         0.0735
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C010(H010)
2.b Aromatic/amide H refined with riding coordinates:
 C00S(H00S), C00W(H00W), C00X(H00X), C011(H011), C012(H012), C013(H013),
 C014(H014), C016(H016), C017(H017), C019(H019), C01B(H01G), C01C(H01H),
 C01F(H01O), C01H(H01S), C01J(H01W), C01K(H01X), C01L(H01Y), C01M(H01Z)
2.c Idealised Me refined as rotating group:
 C018(H01A,H01B,H01C), C01A(H01D,H01E,H01F), C01D(H01I,H01J,H01K), C01E(H01L,
 H01M,H01N), C01G(H01P,H01Q,H01R), C01I(H01T,H01U,H01V)
;
_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 0.29929(2) 0.23339(2) 0.35201(2) 0.01247(4) Uani 1 1 d . . . . .
Rh02 Rh 0.46590(2) 0.28974(2) 0.24366(2) 0.01216(4) Uani 1 1 d . . . . .
S003 S 0.17353(5) 0.22774(4) 0.14757(4) 0.01642(10) Uani 1 1 d . . . . .
S004 S 0.29755(5) 0.46670(4) 0.31595(4) 0.01562(10) Uani 1 1 d . . . . .
P1 P 0.63050(5) 0.31501(4) 0.16686(4) 0.01352(10) Uani 1 1 d . . . . .
Si06 Si 0.35267(6) 0.30315(4) 0.58558(4) 0.01606(12) Uani 1 1 d . . . . .
Si07 Si 0.20971(6) -0.01325(4) 0.38859(4) 0.01735(12) Uani 1 1 d . . . . .
F008 F 0.29089(14) 0.06254(10) 0.13196(11) 0.0318(3) Uani 1 1 d . . . . .
O1 O 0.23100(14) 0.37881(10) 0.34780(10) 0.0172(3) Uani 1 1 d . . . . .
O00A O 0.29297(14) 0.28003(11) 0.13537(10) 0.0187(3) Uani 1 1 d . . . . .
O00B O 0.16250(14) 0.20011(11) 0.24067(10) 0.0169(3) Uani 1 1 d . . . . .
F00C F 0.07245(13) 0.54428(11) 0.29050(10) 0.0321(3) Uani 1 1 d . . . . .
O00D O 0.38946(14) 0.44457(11) 0.25486(11) 0.0196(3) Uani 1 1 d . . . . .
F00E F 0.12465(15) 0.46616(12) 0.17791(10) 0.0391(4) Uani 1 1 d . . . . .
F00F F 0.20301(16) 0.12091(12) 0.00893(10) 0.0407(4) Uani 1 1 d . . . . .
F00G F 0.08666(15) 0.04978(12) 0.10020(12) 0.0417(4) Uani 1 1 d . . . . .
O00H O 0.33686(15) 0.53802(12) 0.38326(11) 0.0246(4) Uani 1 1 d . . . . .
O00I O 0.05935(15) 0.26574(13) 0.10264(11) 0.0255(4) Uani 1 1 d . . . . .
F00J F 0.21249(16) 0.60762(12) 0.21260(14) 0.0526(5) Uani 1 1 d . . . . .
C00K C 0.3311(2) 0.07721(15) 0.35288(14) 0.0156(4) Uani 1 1 d . . . . .
C00L C 0.54359(19) 0.16479(14) 0.30062(14) 0.0135(4) Uani 1 1 d . . . . .
C00M C 0.58004(19) 0.25403(14) 0.35681(14) 0.0136(4) Uani 1 1 d . . . . .
C00N C 0.4262(2) 0.11922(15) 0.32575(14) 0.0146(4) Uani 1 1 d . . . . .
C00O C 0.4857(2) 0.26833(15) 0.41820(14) 0.0145(4) Uani 1 1 d . . . . .
C00P C 0.63688(19) 0.10289(15) 0.26154(13) 0.0136(4) Uani 1 1 d . . . . .
C00Q C 0.4100(2) 0.27672(15) 0.47537(14) 0.0160(4) Uani 1 1 d . . . . .
C00R C 0.80395(19) 0.29392(15) 0.32032(14) 0.0140(4) Uani 1 1 d . . . . .
C00S C 0.6176(2) 0.00040(15) 0.25892(14) 0.0169(4) Uani 1 1 d . . . . .
H00S H 0.547292 -0.028108 0.282375 0.020 Uiso 1 1 calc R . . . .
C00T C 0.74356(19) 0.14521(15) 0.22561(13) 0.0139(4) Uani 1 1 d . . . . .
C00U C 0.71349(19) 0.29106(14) 0.38218(14) 0.0139(4) Uani 1 1 d . . . . .
C00V C 0.1695(2) 0.52423(17) 0.24496(16) 0.0232(5) Uani 1 1 d . . . . .
C00W C 0.7501(2) 0.32450(15) 0.46870(15) 0.0171(4) Uani 1 1 d . . . . .
H00W H 0.691012 0.322328 0.509984 0.021 Uiso 1 1 calc R . . . .
C00X C 0.8260(2) 0.08390(16) 0.18755(14) 0.0175(4) Uani 1 1 d . . . . .
H00X H 0.895800 0.111580 0.162882 0.021 Uiso 1 1 calc R . . . .
C00Y C 0.6219(2) 0.25460(16) 0.05890(14) 0.0165(4) Uani 1 1 d . . . . .
C00Z C 0.1898(2) 0.10786(18) 0.09421(17) 0.0255(5) Uani 1 1 d . . . . .
C010 C 0.77052(19) 0.25524(14) 0.22686(14) 0.0131(4) Uani 1 1 d . . . . .
H010 H 0.844146 0.268607 0.193945 0.016 Uiso 1 1 calc R . . . .
C011 C 0.9273(2) 0.33053(15) 0.34673(15) 0.0171(4) Uani 1 1 d . . . . .
H011 H 0.987493 0.332178 0.306208 0.021 Uiso 1 1 calc R . . . .
C012 C 0.7021(2) -0.05905(16) 0.22178(15) 0.0206(5) Uani 1 1 d . . . . .
H012 H 0.688764 -0.127070 0.221086 0.025 Uiso 1 1 calc R . . . .
C013 C 0.5299(2) 0.18007(16) 0.03757(15) 0.0198(4) Uani 1 1 d . . . . .
H013 H 0.470735 0.164460 0.076999 0.024 Uiso 1 1 calc R . . . .
C014 C 0.5782(2) 0.50512(17) 0.11806(16) 0.0228(5) Uani 1 1 d . . . . .
H014 H 0.493801 0.481754 0.113832 0.027 Uiso 1 1 calc R . . . .
C015 C 0.6763(2) 0.44233(16) 0.14575(15) 0.0181(4) Uani 1 1 d . . . . .
C016 C 0.8734(2) 0.36097(16) 0.49406(15) 0.0207(5) Uani 1 1 d . . . . .
H016 H 0.896562 0.382884 0.552007 0.025 Uiso 1 1 calc R . . . .
C017 C 0.8062(2) -0.01724(16) 0.18570(15) 0.0207(5) Uani 1 1 d . . . . .
H017 H 0.862626 -0.057002 0.160347 0.025 Uiso 1 1 calc R . . . .
C018 C 0.3256(3) 0.43626(17) 0.59470(17) 0.0278(5) Uani 1 1 d . . . . .
H01A H 0.402411 0.473015 0.585627 0.042 Uiso 1 1 calc GR . . . .
H01B H 0.302255 0.450604 0.652730 0.042 Uiso 1 1 calc GR . . . .
H01C H 0.257971 0.454309 0.550469 0.042 Uiso 1 1 calc GR . . . .
C019 C 0.9617(2) 0.36467(16) 0.43301(15) 0.0197(4) Uani 1 1 d . . . . .
H019 H 1.044012 0.389960 0.449642 0.024 Uiso 1 1 calc R . . . .
C01A C 0.0580(2) 0.05122(18) 0.39336(16) 0.0244(5) Uani 1 1 d . . . . .
H01D H 0.070067 0.101200 0.438656 0.037 Uiso 1 1 calc GR . . . .
H01E H -0.007591 0.004704 0.406975 0.037 Uiso 1 1 calc GR . . . .
H01F H 0.032969 0.081066 0.336920 0.037 Uiso 1 1 calc GR . . . .
C01B C 0.5257(2) 0.12884(18) -0.04192(16) 0.0253(5) Uani 1 1 d . . . . .
H01G H 0.463788 0.079121 -0.055775 0.030 Uiso 1 1 calc R . . . .
C01C C 0.6052(3) 0.60201(18) 0.09674(18) 0.0298(6) Uani 1 1 d . . . . .
H01H H 0.539032 0.643702 0.078925 0.036 Uiso 1 1 calc R . . . .
C01D C 0.2016(2) 0.22927(18) 0.59264(16) 0.0256(5) Uani 1 1 d . . . . .
H01I H 0.139331 0.246622 0.544457 0.038 Uiso 1 1 calc GR . . . .
H01J H 0.169458 0.242741 0.648139 0.038 Uiso 1 1 calc GR . . . .
H01K H 0.218165 0.160447 0.588940 0.038 Uiso 1 1 calc GR . . . .
C01E C 0.4817(2) 0.26234(18) 0.66985(16) 0.0250(5) Uani 1 1 d . . . . .
H01L H 0.492550 0.192973 0.663151 0.038 Uiso 1 1 calc GR . . . .
H01M H 0.459230 0.275521 0.728323 0.038 Uiso 1 1 calc GR . . . .
H01N H 0.560105 0.297437 0.661630 0.038 Uiso 1 1 calc GR . . . .
C01F C 0.6135(3) 0.15180(18) -0.10053(16) 0.0277(5) Uani 1 1 d . . . . .
H01O H 0.609825 0.118334 -0.154413 0.033 Uiso 1 1 calc R . . . .
C01G C 0.1860(3) -0.11528(19) 0.30589(19) 0.0338(6) Uani 1 1 d . . . . .
H01P H 0.152403 -0.089817 0.249231 0.051 Uiso 1 1 calc GR . . . .
H01Q H 0.126915 -0.163947 0.325063 0.051 Uiso 1 1 calc GR . . . .
H01R H 0.266291 -0.144767 0.300664 0.051 Uiso 1 1 calc GR . . . .
C01H C 0.7109(2) 0.27659(18) -0.00016(16) 0.0249(5) Uani 1 1 d . . . . .
H01S H 0.772949 0.326243 0.013425 0.030 Uiso 1 1 calc R . . . .
C01I C 0.2773(3) -0.05798(19) 0.49905(17) 0.0302(6) Uani 1 1 d . . . . .
H01T H 0.357400 -0.087821 0.493897 0.045 Uiso 1 1 calc GR . . . .
H01U H 0.218971 -0.105698 0.520522 0.045 Uiso 1 1 calc GR . . . .
H01V H 0.290428 -0.003588 0.539925 0.045 Uiso 1 1 calc GR . . . .
C01J C 0.7071(3) 0.22445(19) -0.07927(17) 0.0299(6) Uani 1 1 d . . . . .
H01W H 0.767582 0.238392 -0.118136 0.036 Uiso 1 1 calc R . . . .
C01K C 0.8018(3) 0.4776(2) 0.1516(2) 0.0415(8) Uani 1 1 d . . . . .
H01X H 0.868384 0.436575 0.170037 0.050 Uiso 1 1 calc R . . . .
C01L C 0.7297(3) 0.6365(2) 0.1019(2) 0.0440(8) Uani 1 1 d . . . . .
H01Y H 0.748044 0.701290 0.086739 0.053 Uiso 1 1 calc R . . . .
C01M C 0.8273(3) 0.5752(2) 0.1296(3) 0.0610(11) Uani 1 1 d . . . . .
H01Z H 0.911413 0.599183 0.133718 0.073 Uiso 1 1 calc R . . . .


_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 2.6297(2) . ?
Rh01 O1 2.1246(14) . ?
Rh01 O00B 2.1297(15) . ?
Rh01 C00K 2.160(2) . ?
Rh01 C00N 2.148(2) . ?
Rh01 C00O 2.141(2) . ?
Rh01 C00Q 2.159(2) . ?
Rh02 P1 2.2115(5) . ?
Rh02 O00A 2.3114(15) . ?
Rh02 O00D 2.2912(15) . ?
Rh02 C00L 2.058(2) . ?
Rh02 C00M 2.049(2) . ?
S003 O00A 1.4543(15) . ?
S003 O00B 1.4751(16) . ?
S003 O00I 1.4273(17) . ?
S003 C00Z 1.839(2) . ?
S004 O1 1.4733(15) . ?
S004 O00D 1.4504(15) . ?
S004 O00H 1.4234(16) . ?
S004 C00V 1.827(2) . ?
P1 C00Y 1.820(2) . ?
P1 C010 1.856(2) . ?
P1 C015 1.818(2) . ?
Si06 C00Q 1.876(2) . ?
Si06 C018 1.848(2) . ?
Si06 C01D 1.867(2) . ?
Si06 C01E 1.857(2) . ?
Si07 C00K 1.868(2) . ?
Si07 C01A 1.858(2) . ?
Si07 C01G 1.859(2) . ?
Si07 C01I 1.854(3) . ?
F008 C00Z 1.323(3) . ?
F00C C00V 1.331(3) . ?
F00E C00V 1.320(3) . ?
F00F C00Z 1.325(3) . ?
F00G C00Z 1.333(3) . ?
F00J C00V 1.321(3) . ?
C00K C00N 1.246(3) . ?
C00L C00M 1.495(3) . ?
C00L C00N 1.454(3) . ?
C00L C00P 1.487(3) . ?
C00M C00O 1.453(3) . ?
C00M C00U 1.486(3) . ?
C00O C00Q 1.248(3) . ?
C00P C00S 1.401(3) . ?
C00P C00T 1.409(3) . ?
C00R C00U 1.409(3) . ?
C00R C010 1.509(3) . ?
C00R C011 1.392(3) . ?
C00S H00S 0.9300 . ?
C00S C012 1.386(3) . ?
C00T C00X 1.393(3) . ?
C00T C010 1.512(3) . ?
C00U C00W 1.395(3) . ?
C00W H00W 0.9300 . ?
C00W C016 1.388(3) . ?
C00X H00X 0.9300 . ?
C00X C017 1.383(3) . ?
C00Y C013 1.390(3) . ?
C00Y C01H 1.392(3) . ?
C010 H010 0.9800 . ?
C011 H011 0.9300 . ?
C011 C019 1.391(3) . ?
C012 H012 0.9300 . ?
C012 C017 1.385(3) . ?
C013 H013 0.9300 . ?
C013 C01B 1.385(3) . ?
C014 H014 0.9300 . ?
C014 C015 1.391(3) . ?
C014 C01C 1.384(3) . ?
C015 C01K 1.386(3) . ?
C016 H016 0.9300 . ?
C016 C019 1.383(3) . ?
C017 H017 0.9300 . ?
C018 H01A 0.9600 . ?
C018 H01B 0.9600 . ?
C018 H01C 0.9600 . ?
C019 H019 0.9300 . ?
C01A H01D 0.9600 . ?
C01A H01E 0.9600 . ?
C01A H01F 0.9600 . ?
C01B H01G 0.9300 . ?
C01B C01F 1.381(3) . ?
C01C H01H 0.9300 . ?
C01C C01L 1.372(4) . ?
C01D H01I 0.9600 . ?
C01D H01J 0.9600 . ?
C01D H01K 0.9600 . ?
C01E H01L 0.9600 . ?
C01E H01M 0.9600 . ?
C01E H01N 0.9600 . ?
C01F H01O 0.9300 . ?
C01F C01J 1.383(4) . ?
C01G H01P 0.9600 . ?
C01G H01Q 0.9600 . ?
C01G H01R 0.9600 . ?
C01H H01S 0.9300 . ?
C01H C01J 1.387(3) . ?
C01I H01T 0.9600 . ?
C01I H01U 0.9600 . ?
C01I H01V 0.9600 . ?
C01J H01W 0.9300 . ?
C01K H01X 0.9300 . ?
C01K C01M 1.391(4) . ?
C01L H01Y 0.9300 . ?
C01L C01M 1.375(4) . ?
C01M H01Z 0.9300 . ?

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 Rh02 88.58(4) . . ?
O1 Rh01 O00B 87.54(6) . . ?
O1 Rh01 C00K 169.19(7) . . ?
O1 Rh01 C00N 155.52(7) . . ?
O1 Rh01 C00O 97.16(7) . . ?
O1 Rh01 C00Q 86.30(7) . . ?
O00B Rh01 Rh02 89.81(4) . . ?
O00B Rh01 C00K 84.78(7) . . ?
O00B Rh01 C00N 95.35(7) . . ?
O00B Rh01 C00O 155.51(7) . . ?
O00B Rh01 C00Q 169.99(7) . . ?
C00K Rh01 Rh02 98.97(6) . . ?
C00N Rh01 Rh02 67.17(6) . . ?
C00N Rh01 C00K 33.64(8) . . ?
C00N Rh01 C00Q 93.53(8) . . ?
C00O Rh01 Rh02 66.41(6) . . ?
C00O Rh01 C00K 92.96(8) . . ?
C00O Rh01 C00N 70.79(8) . . ?
C00O Rh01 C00Q 33.75(8) . . ?
C00Q Rh01 Rh02 97.92(6) . . ?
C00Q Rh01 C00K 100.19(8) . . ?
P1 Rh02 Rh01 168.487(16) . . ?
P1 Rh02 O00A 103.46(4) . . ?
P1 Rh02 O00D 102.80(4) . . ?
O00A Rh02 Rh01 84.64(4) . . ?
O00D Rh02 Rh01 86.53(4) . . ?
O00D Rh02 O00A 79.90(6) . . ?
C00L Rh02 Rh01 76.98(6) . . ?
C00L Rh02 P1 91.73(6) . . ?
C00L Rh02 O00A 121.14(7) . . ?
C00L Rh02 O00D 151.14(7) . . ?
C00M Rh02 Rh01 77.25(6) . . ?
C00M Rh02 P1 92.96(6) . . ?
C00M Rh02 O00A 158.07(7) . . ?
C00M Rh02 O00D 110.85(7) . . ?
C00M Rh02 C00L 42.69(8) . . ?
O00A S003 O00B 113.53(9) . . ?
O00A S003 C00Z 103.17(10) . . ?
O00B S003 C00Z 102.50(10) . . ?
O00I S003 O00A 117.05(10) . . ?
O00I S003 O00B 113.69(10) . . ?
O00I S003 C00Z 104.65(11) . . ?
O1 S004 C00V 101.88(10) . . ?
O00D S004 O1 113.72(9) . . ?
O00D S004 C00V 103.33(10) . . ?
O00H S004 O1 114.16(10) . . ?
O00H S004 O00D 116.68(10) . . ?
O00H S004 C00V 104.70(11) . . ?
C00Y P1 Rh02 116.80(7) . . ?
C00Y P1 C010 100.84(10) . . ?
C010 P1 Rh02 108.02(7) . . ?
C015 P1 Rh02 116.93(7) . . ?
C015 P1 C00Y 104.63(10) . . ?
C015 P1 C010 108.22(10) . . ?
C018 Si06 C00Q 109.43(11) . . ?
C018 Si06 C01D 110.89(12) . . ?
C018 Si06 C01E 112.01(12) . . ?
C01D Si06 C00Q 108.05(10) . . ?
C01E Si06 C00Q 105.18(11) . . ?
C01E Si06 C01D 111.04(11) . . ?
C01A Si07 C00K 108.23(10) . . ?
C01A Si07 C01G 110.22(12) . . ?
C01G Si07 C00K 108.69(11) . . ?
C01I Si07 C00K 105.79(11) . . ?
C01I Si07 C01A 112.40(12) . . ?
C01I Si07 C01G 111.32(13) . . ?
S004 O1 Rh01 125.90(9) . . ?
S003 O00A Rh02 123.21(9) . . ?
S003 O00B Rh01 126.16(9) . . ?
S004 O00D Rh02 121.72(9) . . ?
Si07 C00K Rh01 121.25(11) . . ?
C00N C00K Rh01 72.66(13) . . ?
C00N C00K Si07 166.09(18) . . ?
C00M C00L Rh02 68.32(11) . . ?
C00N C00L Rh02 97.63(13) . . ?
C00N C00L C00M 109.97(17) . . ?
C00N C00L C00P 119.36(17) . . ?
C00P C00L Rh02 125.17(14) . . ?
C00P C00L C00M 123.98(18) . . ?
C00L C00M Rh02 68.99(11) . . ?
C00O C00M Rh02 96.61(13) . . ?
C00O C00M C00L 109.82(17) . . ?
C00O C00M C00U 118.79(18) . . ?
C00U C00M Rh02 125.92(14) . . ?
C00U C00M C00L 124.59(17) . . ?
C00K C00N Rh01 73.71(13) . . ?
C00K C00N C00L 175.1(2) . . ?
C00L C00N Rh01 108.57(13) . . ?
C00M C00O Rh01 109.14(14) . . ?
C00Q C00O Rh01 73.91(14) . . ?
C00Q C00O C00M 175.4(2) . . ?
C00S C00P C00L 119.53(18) . . ?
C00S C00P C00T 119.07(19) . . ?
C00T C00P C00L 121.39(18) . . ?
Si06 C00Q Rh01 128.62(11) . . ?
C00O C00Q Rh01 72.34(13) . . ?
C00O C00Q Si06 159.02(18) . . ?
C00U C00R C010 121.16(18) . . ?
C011 C00R C00U 119.33(19) . . ?
C011 C00R C010 119.49(18) . . ?
C00P C00S H00S 119.6 . . ?
C012 C00S C00P 120.8(2) . . ?
C012 C00S H00S 119.6 . . ?
C00P C00T C010 121.79(18) . . ?
C00X C00T C00P 118.99(19) . . ?
C00X C00T C010 119.22(18) . . ?
C00R C00U C00M 121.34(18) . . ?
C00W C00U C00M 119.56(18) . . ?
C00W C00U C00R 119.10(19) . . ?
F00C C00V S004 111.04(17) . . ?
F00E C00V S004 111.36(16) . . ?
F00E C00V F00C 107.69(19) . . ?
F00E C00V F00J 108.5(2) . . ?
F00J C00V S004 109.92(17) . . ?
F00J C00V F00C 108.2(2) . . ?
C00U C00W H00W 119.5 . . ?
C016 C00W C00U 120.9(2) . . ?
C016 C00W H00W 119.5 . . ?
C00T C00X H00X 119.3 . . ?
C017 C00X C00T 121.4(2) . . ?
C017 C00X H00X 119.3 . . ?
C013 C00Y P1 119.23(16) . . ?
C013 C00Y C01H 119.2(2) . . ?
C01H C00Y P1 121.39(17) . . ?
F008 C00Z S003 111.01(16) . . ?
F008 C00Z F00F 108.56(19) . . ?
F008 C00Z F00G 108.4(2) . . ?
F00F C00Z S003 109.66(18) . . ?
F00F C00Z F00G 108.4(2) . . ?
F00G C00Z S003 110.79(16) . . ?
P1 C010 H010 107.9 . . ?
C00R C010 P1 112.97(14) . . ?
C00R C010 C00T 111.66(17) . . ?
C00R C010 H010 107.9 . . ?
C00T C010 P1 108.23(14) . . ?
C00T C010 H010 107.9 . . ?
C00R C011 H011 119.6 . . ?
C019 C011 C00R 120.8(2) . . ?
C019 C011 H011 119.6 . . ?
C00S C012 H012 120.0 . . ?
C017 C012 C00S 120.1(2) . . ?
C017 C012 H012 120.0 . . ?
C00Y C013 H013 119.7 . . ?
C01B C013 C00Y 120.6(2) . . ?
C01B C013 H013 119.7 . . ?
C015 C014 H014 119.7 . . ?
C01C C014 H014 119.7 . . ?
C01C C014 C015 120.6(2) . . ?
C014 C015 P1 116.93(17) . . ?
C01K C015 P1 123.67(18) . . ?
C01K C015 C014 119.3(2) . . ?
C00W C016 H016 120.1 . . ?
C019 C016 C00W 119.9(2) . . ?
C019 C016 H016 120.1 . . ?
C00X C017 C012 119.7(2) . . ?
C00X C017 H017 120.2 . . ?
C012 C017 H017 120.2 . . ?
Si06 C018 H01A 109.5 . . ?
Si06 C018 H01B 109.5 . . ?
Si06 C018 H01C 109.5 . . ?
H01A C018 H01B 109.5 . . ?
H01A C018 H01C 109.5 . . ?
H01B C018 H01C 109.5 . . ?
C011 C019 H019 120.0 . . ?
C016 C019 C011 120.0(2) . . ?
C016 C019 H019 120.0 . . ?
Si07 C01A H01D 109.5 . . ?
Si07 C01A H01E 109.5 . . ?
Si07 C01A H01F 109.5 . . ?
H01D C01A H01E 109.5 . . ?
H01D C01A H01F 109.5 . . ?
H01E C01A H01F 109.5 . . ?
C013 C01B H01G 120.1 . . ?
C01F C01B C013 119.8(2) . . ?
C01F C01B H01G 120.1 . . ?
C014 C01C H01H 120.1 . . ?
C01L C01C C014 119.9(2) . . ?
C01L C01C H01H 120.1 . . ?
Si06 C01D H01I 109.5 . . ?
Si06 C01D H01J 109.5 . . ?
Si06 C01D H01K 109.5 . . ?
H01I C01D H01J 109.5 . . ?
H01I C01D H01K 109.5 . . ?
H01J C01D H01K 109.5 . . ?
Si06 C01E H01L 109.5 . . ?
Si06 C01E H01M 109.5 . . ?
Si06 C01E H01N 109.5 . . ?
H01L C01E H01M 109.5 . . ?
H01L C01E H01N 109.5 . . ?
H01M C01E H01N 109.5 . . ?
C01B C01F H01O 119.9 . . ?
C01B C01F C01J 120.1(2) . . ?
C01J C01F H01O 119.9 . . ?
Si07 C01G H01P 109.5 . . ?
Si07 C01G H01Q 109.5 . . ?
Si07 C01G H01R 109.5 . . ?
H01P C01G H01Q 109.5 . . ?
H01P C01G H01R 109.5 . . ?
H01Q C01G H01R 109.5 . . ?
C00Y C01H H01S 120.0 . . ?
C01J C01H C00Y 120.0(2) . . ?
C01J C01H H01S 120.0 . . ?
Si07 C01I H01T 109.5 . . ?
Si07 C01I H01U 109.5 . . ?
Si07 C01I H01V 109.5 . . ?
H01T C01I H01U 109.5 . . ?
H01T C01I H01V 109.5 . . ?
H01U C01I H01V 109.5 . . ?
C01F C01J C01H 120.2(2) . . ?
C01F C01J H01W 119.9 . . ?
C01H C01J H01W 119.9 . . ?
C015 C01K H01X 120.3 . . ?
C015 C01K C01M 119.3(3) . . ?
C01M C01K H01X 120.3 . . ?
C01C C01L H01Y 120.0 . . ?
C01C C01L C01M 120.0(2) . . ?
C01M C01L H01Y 120.0 . . ?
C01K C01M H01Z 119.6 . . ?
C01L C01M C01K 120.9(3) . . ?
C01L C01M H01Z 119.6 . . ?

_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 1.415
_oxdiff_exptl_absorpt_empirical_full_min 0.676
