# Supplementary Information (SI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# 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_256-3
_database_code_depnum_ccdc_archive 'CCDC 2220784'
loop_
_audit_author_name
_audit_author_address
'zurong Xu'
;South China University of Technology 
China
;
_audit_update_record             
;
2022-11-19 deposited with the CCDC.	2024-07-23 downloaded from the CCDC.
;
_audit_creation_date             2022-01-22
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H25 N O4 Si'
_chemical_formula_sum            'C19 H25 N O4 Si'
_chemical_formula_weight         359.49
_chemical_absolute_configuration ad
_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'
N N 0.0311 0.0180 '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'
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      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   8.1571(2)
_cell_length_b                   8.3394(2)
_cell_length_c                   29.2782(4)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1991.66(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    13586
_cell_measurement_temperature    179.99(10)
_cell_measurement_theta_max      73.6900
_cell_measurement_theta_min      4.5450
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    1.222
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.199
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            18375
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.755
_diffrn_reflns_theta_min         3.019
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      179.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -69.00  32.00   1.00    1.00    --  -40.73  57.00-120.00  101
  2  ω   -121.00   0.00   1.00    1.00    --  -40.73 -19.00  60.00  121
  3  ω      1.00  82.00   1.00    1.00    --   40.73 -99.00 150.00   81
  4  ω     75.00 178.00   1.00    1.00    --  107.58  77.00-180.00  103
  5  ω     35.00 137.00   1.00    1.00    --  107.58 -61.00  30.00  102
  6  ω     26.00 160.00   1.00    1.00    --  107.58 -15.00   0.00  134
  7  ω     26.00 160.00   1.00    1.00    --  107.58 -15.00   0.00  134
  8  ω     94.00 178.00   1.00    1.00    --  107.58 125.00   0.00   84
  9  ω    -69.00  32.00   1.00    1.00    --  -40.73  57.00  30.00  101
 10  ω   -113.00 -13.00   1.00    1.00    --  -40.73 -57.00 -30.00  100
 11  ω      8.00 117.00   1.00    1.00    --   40.73  77.00-120.00  109
 12  ω     34.00 122.00   1.00    1.00    --  107.58-125.00  60.00   88
 13  ω     79.00 178.00   1.00    1.00    --  107.58  30.00  60.00   99
 14  ω     75.00 178.00   1.00    1.00    --  107.58  77.00 -30.00  103
 15  ω     79.00 130.00   1.00    1.00    --  107.58  30.00 -90.00   51
 16  ω     82.00 178.00   1.00    1.00    --  107.58  45.00 120.00   96
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0496406000
_diffrn_orient_matrix_UB_12      -0.0013586000
_diffrn_orient_matrix_UB_13      -0.0507707000
_diffrn_orient_matrix_UB_21      0.0901050000
_diffrn_orient_matrix_UB_22      0.1608082000
_diffrn_orient_matrix_UB_23      0.0065075000
_diffrn_orient_matrix_UB_31      0.1583958000
_diffrn_orient_matrix_UB_32      -0.0909075000
_diffrn_orient_matrix_UB_33      0.0121848000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_reflns_Friedel_coverage         0.718
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.972
_reflns_number_gt                3824
_reflns_number_total             3937
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.253
_refine_diff_density_min         -0.171
_refine_diff_density_rms         0.036
_refine_ls_abs_structure_details 
;
 Flack x determined using 1549 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.019(13)
_refine_ls_extinction_coef       0.0042(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick 2017)'
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     233
_refine_ls_number_reflns         3937
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0364
_refine_ls_R_factor_gt           0.0355
_refine_ls_restrained_S_all      1.018
_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)+(0.0678P)²+0.2503P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.0998
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C8(H8), C9(H9), C11(H11), C12(H12)
2.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C)
;
_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
Si1 Si 0.83397(7) 0.73416(7) 0.67884(2) 0.03183(17) Uani 1 1 d . . . . .
O1 O 0.1913(4) 0.0101(3) 0.62723(8) 0.0991(11) Uani 1 1 d . . . . .
O2 O 0.0947(3) 0.2483(4) 0.63996(11) 0.0890(9) Uani 1 1 d . . . . .
O3 O 0.4353(2) 0.7334(2) 0.57138(6) 0.0438(4) Uani 1 1 d . . . . .
O4 O 0.7897(2) 0.7062(2) 0.62380(5) 0.0393(4) Uani 1 1 d . . . . .
N1 N 0.1980(4) 0.1555(4) 0.62445(8) 0.0621(8) Uani 1 1 d . . . . .
C1 C 0.5200(3) 0.6193(3) 0.56166(7) 0.0312(5) Uani 1 1 d . . . . .
C2 C 0.6827(3) 0.6227(3) 0.53798(7) 0.0337(5) Uani 1 1 d . . . . .
C3 C 0.7432(3) 0.4484(3) 0.53614(8) 0.0358(5) Uani 1 1 d . . . . .
C4 C 0.6136(3) 0.3522(3) 0.55940(7) 0.0338(5) Uani 1 1 d . . . . .
C5 C 0.4827(3) 0.4491(3) 0.57223(7) 0.0303(4) Uani 1 1 d . . . . .
C6 C 0.3451(3) 0.3890(3) 0.59418(7) 0.0373(5) Uani 1 1 d . . . . .
H6 H 0.258106 0.454466 0.602732 0.045 Uiso 1 1 calc R U . . .
C7 C 0.3452(3) 0.2255(3) 0.60261(8) 0.0442(6) Uani 1 1 d . . . . .
C8 C 0.4735(4) 0.1263(3) 0.59099(8) 0.0510(7) Uani 1 1 d . . . . .
H8 H 0.468286 0.017375 0.597580 0.061 Uiso 1 1 calc R U . . .
C9 C 0.6113(4) 0.1896(3) 0.56930(9) 0.0462(6) Uani 1 1 d . . . . .
H9 H 0.699608 0.124283 0.561656 0.055 Uiso 1 1 calc R U . . .
C10 C 0.6841(3) 0.5304(3) 0.49315(7) 0.0392(5) Uani 1 1 d . . . . .
H10A H 0.579441 0.496909 0.480655 0.047 Uiso 1 1 calc R U . . .
H10B H 0.765619 0.560045 0.470555 0.047 Uiso 1 1 calc R U . . .
C11 C 0.7951(3) 0.7595(3) 0.54606(8) 0.0459(6) Uani 1 1 d . . . . .
H11 H 0.831435 0.821087 0.521606 0.055 Uiso 1 1 calc R U . . .
C12 C 0.8436(3) 0.7939(3) 0.58802(8) 0.0431(6) Uani 1 1 d . . . . .
H12 H 0.915175 0.878963 0.592925 0.052 Uiso 1 1 calc R U . . .
C13 C 1.0514(3) 0.6818(4) 0.68852(11) 0.0563(7) Uani 1 1 d . . . . .
H13A H 1.069433 0.571857 0.680207 0.084 Uiso 1 1 calc R U . . .
H13B H 1.077878 0.696593 0.720196 0.084 Uiso 1 1 calc R U . . .
H13C H 1.119947 0.749794 0.670197 0.084 Uiso 1 1 calc R U . . .
C14 C 0.7940(4) 0.9475(3) 0.69308(10) 0.0543(7) Uani 1 1 d . . . . .
H14A H 0.870733 1.014404 0.677129 0.081 Uiso 1 1 calc R U . . .
H14B H 0.806114 0.963097 0.725391 0.081 Uiso 1 1 calc R U . . .
H14C H 0.684430 0.975260 0.684092 0.081 Uiso 1 1 calc R U . . .
C15 C 0.6904(3) 0.5933(3) 0.70913(7) 0.0380(5) Uani 1 1 d . . . . .
C16 C 0.5114(3) 0.6385(4) 0.69868(10) 0.0535(7) Uani 1 1 d . . . . .
H16A H 0.490025 0.745054 0.709597 0.080 Uiso 1 1 calc R U . . .
H16B H 0.439242 0.564304 0.713625 0.080 Uiso 1 1 calc R U . . .
H16C H 0.493386 0.634504 0.666301 0.080 Uiso 1 1 calc R U . . .
C17 C 0.7210(4) 0.4209(3) 0.69358(10) 0.0548(7) Uani 1 1 d . . . . .
H17A H 0.700832 0.412477 0.661362 0.082 Uiso 1 1 calc R U . . .
H17B H 0.648646 0.349882 0.709712 0.082 Uiso 1 1 calc R U . . .
H17C H 0.832611 0.391962 0.699896 0.082 Uiso 1 1 calc R U . . .
C18 C 0.7183(4) 0.6061(4) 0.76098(8) 0.0573(8) Uani 1 1 d . . . . .
H18A H 0.826846 0.569573 0.768254 0.086 Uiso 1 1 calc R U . . .
H18B H 0.639320 0.540907 0.776658 0.086 Uiso 1 1 calc R U . . .
H18C H 0.706233 0.715739 0.770367 0.086 Uiso 1 1 calc R U . . .
C19 C 0.9213(4) 0.4076(5) 0.54223(10) 0.0585(8) Uani 1 1 d . . . . .
H19A H 0.987393 0.486037 0.526849 0.088 Uiso 1 1 calc R U . . .
H19B H 0.942512 0.303496 0.529542 0.088 Uiso 1 1 calc R U . . .
H19C H 0.947673 0.407191 0.574179 0.088 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Si1 O4 1.6678(15) . ?
Si1 C13 1.849(3) . ?
Si1 C14 1.856(3) . ?
Si1 C15 1.881(2) . ?
O1 N1 1.217(4) . ?
O2 N1 1.231(4) . ?
O3 C1 1.210(3) . ?
O4 C12 1.351(3) . ?
N1 C7 1.480(4) . ?
C1 C2 1.498(3) . ?
C1 C5 1.484(3) . ?
C2 C3 1.536(3) . ?
C2 C10 1.521(3) . ?
C2 C11 1.482(3) . ?
C3 C4 1.492(3) . ?
C3 C10 1.512(3) . ?
C3 C19 1.502(4) . ?
C4 C5 1.391(3) . ?
C4 C9 1.387(3) . ?
C5 C6 1.387(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.386(4) . ?
C7 C8 1.376(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.395(4) . ?
C9 H9 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 H11 0.9300 . ?
C11 C12 1.322(3) . ?
C12 H12 0.9300 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C16 1.539(4) . ?
C15 C17 1.529(4) . ?
C15 C18 1.539(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O4 Si1 C13 108.85(13) . . ?
O4 Si1 C14 108.23(12) . . ?
O4 Si1 C15 103.50(9) . . ?
C13 Si1 C14 111.13(15) . . ?
C13 Si1 C15 112.18(13) . . ?
C14 Si1 C15 112.54(13) . . ?
C12 O4 Si1 127.09(15) . . ?
O1 N1 O2 124.8(3) . . ?
O1 N1 C7 117.3(3) . . ?
O2 N1 C7 117.8(3) . . ?
O3 C1 C2 126.9(2) . . ?
O3 C1 C5 125.9(2) . . ?
C5 C1 C2 107.24(18) . . ?
C1 C2 C3 106.45(18) . . ?
C1 C2 C10 113.36(19) . . ?
C10 C2 C3 59.25(15) . . ?
C11 C2 C1 119.2(2) . . ?
C11 C2 C3 122.4(2) . . ?
C11 C2 C10 121.49(19) . . ?
C4 C3 C2 105.35(18) . . ?
C4 C3 C10 113.40(19) . . ?
C4 C3 C19 120.6(2) . . ?
C10 C3 C2 59.89(14) . . ?
C19 C3 C2 121.4(2) . . ?
C19 C3 C10 120.6(2) . . ?
C5 C4 C3 110.8(2) . . ?
C9 C4 C3 129.1(2) . . ?
C9 C4 C5 120.1(2) . . ?
C4 C5 C1 110.0(2) . . ?
C6 C5 C1 127.5(2) . . ?
C6 C5 C4 122.4(2) . . ?
C5 C6 H6 122.0 . . ?
C5 C6 C7 116.0(2) . . ?
C7 C6 H6 122.0 . . ?
C6 C7 N1 117.7(3) . . ?
C8 C7 N1 119.1(3) . . ?
C8 C7 C6 123.2(2) . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.9(2) . . ?
C9 C8 H8 120.1 . . ?
C4 C9 C8 118.4(3) . . ?
C4 C9 H9 120.8 . . ?
C8 C9 H9 120.8 . . ?
C2 C10 H10A 117.7 . . ?
C2 C10 H10B 117.7 . . ?
C3 C10 C2 60.86(15) . . ?
C3 C10 H10A 117.7 . . ?
C3 C10 H10B 117.7 . . ?
H10A C10 H10B 114.8 . . ?
C2 C11 H11 120.0 . . ?
C12 C11 C2 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
O4 C12 H12 119.8 . . ?
C11 C12 O4 120.4(2) . . ?
C11 C12 H12 119.8 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 Si1 110.11(18) . . ?
C17 C15 Si1 110.22(17) . . ?
C17 C15 C16 109.0(2) . . ?
C17 C15 C18 109.6(2) . . ?
C18 C15 Si1 109.26(18) . . ?
C18 C15 C16 108.6(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C3 C19 H19A 109.5 . . ?
C3 C19 H19B 109.5 . . ?
C3 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si1 O4 C12 C11 -178.6(2) . . . . ?
O1 N1 C7 C6 172.2(2) . . . . ?
O1 N1 C7 C8 -6.7(4) . . . . ?
O2 N1 C7 C6 -10.5(4) . . . . ?
O2 N1 C7 C8 170.6(3) . . . . ?
O3 C1 C2 C3 177.0(2) . . . . ?
O3 C1 C2 C10 -120.0(2) . . . . ?
O3 C1 C2 C11 33.4(3) . . . . ?
O3 C1 C5 C4 -175.0(2) . . . . ?
O3 C1 C5 C6 1.1(4) . . . . ?
O4 Si1 C15 C16 -60.9(2) . . . . ?
O4 Si1 C15 C17 59.4(2) . . . . ?
O4 Si1 C15 C18 179.8(2) . . . . ?
N1 C7 C8 C9 178.3(2) . . . . ?
C1 C2 C3 C4 -0.7(2) . . . . ?
C1 C2 C3 C10 107.8(2) . . . . ?
C1 C2 C3 C19 -142.6(2) . . . . ?
C1 C2 C10 C3 -95.9(2) . . . . ?
C1 C2 C11 C12 57.5(4) . . . . ?
C1 C5 C6 C7 -175.8(2) . . . . ?
C2 C1 C5 C4 3.7(2) . . . . ?
C2 C1 C5 C6 179.7(2) . . . . ?
C2 C3 C4 C5 3.0(2) . . . . ?
C2 C3 C4 C9 -176.1(2) . . . . ?
C2 C11 C12 O4 -0.8(4) . . . . ?
C3 C2 C11 C12 -80.1(3) . . . . ?
C3 C4 C5 C1 -4.2(2) . . . . ?
C3 C4 C5 C6 179.47(19) . . . . ?
C3 C4 C9 C8 -179.1(2) . . . . ?
C4 C3 C10 C2 94.7(2) . . . . ?
C4 C5 C6 C7 -0.1(3) . . . . ?
C5 C1 C2 C3 -1.7(2) . . . . ?
C5 C1 C2 C10 61.4(2) . . . . ?
C5 C1 C2 C11 -145.3(2) . . . . ?
C5 C4 C9 C8 1.9(3) . . . . ?
C5 C6 C7 N1 -177.79(19) . . . . ?
C5 C6 C7 C8 1.1(3) . . . . ?
C6 C7 C8 C9 -0.5(4) . . . . ?
C7 C8 C9 C4 -1.0(4) . . . . ?
C9 C4 C5 C1 175.0(2) . . . . ?
C9 C4 C5 C6 -1.3(3) . . . . ?
C10 C2 C3 C4 -108.5(2) . . . . ?
C10 C2 C3 C19 109.7(3) . . . . ?
C10 C2 C11 C12 -151.3(3) . . . . ?
C10 C3 C4 C5 -60.3(2) . . . . ?
C10 C3 C4 C9 120.5(3) . . . . ?
C11 C2 C3 C4 141.48(19) . . . . ?
C11 C2 C3 C10 -110.0(2) . . . . ?
C11 C2 C3 C19 -0.4(3) . . . . ?
C11 C2 C10 C3 111.5(3) . . . . ?
C13 Si1 O4 C12 -69.8(2) . . . . ?
C13 Si1 C15 C16 -178.10(19) . . . . ?
C13 Si1 C15 C17 -57.8(2) . . . . ?
C13 Si1 C15 C18 62.7(2) . . . . ?
C14 Si1 O4 C12 51.1(3) . . . . ?
C14 Si1 C15 C16 55.7(2) . . . . ?
C14 Si1 C15 C17 176.0(2) . . . . ?
C14 Si1 C15 C18 -63.5(2) . . . . ?
C15 Si1 O4 C12 170.7(2) . . . . ?
C19 C3 C4 C5 145.2(2) . . . . ?
C19 C3 C4 C9 -33.9(4) . . . . ?
C19 C3 C10 C2 -110.9(3) . . . . ?

_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 3.610
_oxdiff_exptl_absorpt_empirical_full_min 0.439
####################################################################### 
# 
# 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_xzr-0626
_database_code_depnum_ccdc_archive 'CCDC 2283357'
loop_
_audit_author_name
_audit_author_address
'zurong Xu'
;South China University of Technology 
China
;
_audit_update_record             
;
2023-07-21 deposited with the CCDC.	2024-07-23 downloaded from the CCDC.
;
_audit_creation_date             2023-06-26
_audit_creation_method           
;
Olex2 1.5-beta
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C68 H102 N2 O14 Rh2 S2 Si2'
_chemical_formula_sum            'C68 H102 N2 O14 Rh2 S2 Si2'
_chemical_formula_weight         1497.63
_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'
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'
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      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                   14.1225(7)
_cell_length_b                   20.8129(16)
_cell_length_c                   27.9242(16)
_cell_angle_alpha                90
_cell_angle_beta                 103.361(6)
_cell_angle_gamma                90
_cell_volume                     7985.6(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7810
_cell_measurement_temperature    293.00(10)
_cell_measurement_theta_max      25.3480
_cell_measurement_theta_min      2.4530
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.551
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'light black'
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3144
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_unetI/netI     0.0804
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            37141
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.057
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      293.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -20.00  19.00   1.00    5.00    --  -11.27 -99.00 -30.00   39
  2  ω    -56.00  20.00   1.00    5.00    --   11.90 -38.00 -90.00   76
  3  ω    -57.00  36.00   1.00    5.00    --   11.90 -38.00-180.00   93
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0027520000
_diffrn_orient_matrix_UB_12      0.0039606000
_diffrn_orient_matrix_UB_13      -0.0255220000
_diffrn_orient_matrix_UB_21      0.0130749000
_diffrn_orient_matrix_UB_22      -0.0326908000
_diffrn_orient_matrix_UB_23      -0.0016925000
_diffrn_orient_matrix_UB_31      -0.0498531000
_diffrn_orient_matrix_UB_32      -0.0087458000
_diffrn_orient_matrix_UB_33      -0.0052593000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8510
_reflns_number_total             14065
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-beta (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.838
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     967
_refine_ls_number_reflns         14065
_refine_ls_number_restraints     1087
_refine_ls_R_factor_all          0.1335
_refine_ls_R_factor_gt           0.0800
_refine_ls_restrained_S_all      5.013
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1004P)²+20.7826P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1973
_refine_ls_wR_factor_ref         0.2435
_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
 Si2-C63 = Si2-C64 = Si3-C69 = Si3-C70
 1.83 with sigma of 0.01
 C66-C68 = C66-C67 = C65-C66 = C71-C74 = C73-C71 = C71-C72
 1.54 with sigma of 0.01
 C73-C72
 2.54 with sigma of 0.01
 C68-C67
 2.54 with sigma of 0.01
 C70-C69
 2.6 with sigma of 0.01
 C72-C74
 2.54 with sigma of 0.01
 C65-C67
 2.54 with sigma of 0.01
 C68-C65
 2.54 with sigma of 0.01
 C73-Si3
 2.6 with sigma of 0.01
 C64-C63 \\sim C69-C70
 with sigma of 0.04
 C63-C66 \\sim C70-C71
 with sigma of 0.04
 C65-C67 \\sim C73-C72
 with sigma of 0.04
 C66-C65 \\sim C71-C73
 with sigma of 0.02
 C64-C66 \\sim C69-C71
 with sigma of 0.04
 C66-C68 \\sim C71-C74
 with sigma of 0.02
 C66-C67 \\sim C71-C72
 with sigma of 0.02
 C65-C68 \\sim C73-C74
 with sigma of 0.04
 O14-C64 \\sim O14-C69
 with sigma of 0.04
 O14-C63 \\sim O14-C70
 with sigma of 0.04
 C68-C67 \\sim C74-C72
 with sigma of 0.04
 O14-C66 \\sim O14-C71
 with sigma of 0.04
 C27-C28 \\sim C27-C28A
 with sigma of 0.02
 C36-C37 \\sim C36A-C37
 with sigma of 0.02
 C32-C33 \\sim C32-C33A
 with sigma of 0.02
 C26-C27 \\sim C26A-C27
 with sigma of 0.02
 C32-C35 \\sim C32-C35A
 with sigma of 0.02
 C27-C29 \\sim C27-C29A
 with sigma of 0.02
 C32-C34 \\sim C32-C34A
 with sigma of 0.02
 C37-C38 \\sim C37-C38A
 with sigma of 0.02
 C37-C39 \\sim C37-C39A
 with sigma of 0.02
3. Rigid bond restraints
 Si3, O14, C45
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C28, C26, C29, C27, C30
 with sigma for 1-2 distances of 0.003 and sigma for 1-3 distances of 0.003
 Si1, C17, C14
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C38, C37
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C41, C42
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C27, C26
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C39, C37
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C41, C43
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C37, C36
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C44, C41
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C27, C29
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C15, C13
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C13, C16
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C18, C13
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 C27, C28
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
 Si2, C63
 with sigma for 1-2 distances of 0.0006 and sigma for 1-3 distances of 0.0006
 C28A, C27
 with sigma for 1-2 distances of 0.0006 and sigma for 1-3 distances of 0.0006
 C29A, C27
 with sigma for 1-2 distances of 0.0006 and sigma for 1-3 distances of 0.0006
 C26A, C27
 with sigma for 1-2 distances of 0.0006 and sigma for 1-3 distances of 0.0006
4. Uiso/Uaniso restraints and constraints
Si3 \\sim O14: within 2A with sigma of 0.0002 and sigma for terminal atoms of
0.0004 within 2A
Si1 \\sim C17 \\sim C14: within 2A with sigma of 0.002 and sigma for terminal
atoms of 0.004 within 2A
C13 \\sim C16: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C18 \\sim C13: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C41 \\sim C42: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C28 \\sim C27: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C13 \\sim C15: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C37 \\sim C36: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C37 \\sim C38: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C44 \\sim C41: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C43 \\sim C41: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C27 \\sim C29: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C27 \\sim C26: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C39 \\sim C37: within 2A with sigma of 0.002 and sigma for terminal atoms of
0.004 within 2A
C63 \\sim Si2: within 2A with sigma of 0.003 and sigma for terminal atoms of
0.006 within 2A
C29A \\sim C27: within 2A with sigma of 0.0004 and sigma for terminal atoms of
0.0008 within 2A
C28A \\sim C27: within 2A with sigma of 0.0004 and sigma for terminal atoms of
0.0008 within 2A
Uanis(C71) \\sim Ueq, Uanis(C74) \\sim Ueq: with sigma of 0.0004 and sigma for
terminal atoms of 0.0008
Uanis(C71) \\sim Ueq, Uanis(C72) \\sim Ueq, Uanis(C73) \\sim Ueq, Uanis(C74)
\\sim Ueq: with sigma of 0.00009 and sigma for terminal atoms of 0.00018
Uanis(C68) = Uanis(C66)
Uanis(C66) = Uanis(C67)
Uanis(C65) = Uanis(C66)
5. Rigid body (RIGU) restrains
 Si3, O14, C69, C70, C71, C73, C74
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.003
 C64, Rh1, Rh2, O4, O6, O10, O11, C46, C47, O5, O7, O8, O9, C9, C10, C30, C31,
 C2, C40, C45, C48, C8, C11, C27, C32, C37, C41, O14, N3, N1, O3, C26, C28, C29,
  C33, C34, C35, C38, C39, C36, C42, C43, C44, Si2, S2, C49, S1, C7, Si1, C63,
 C66, O12, O13, C56, C50, O1, O2, C19, C1, C13, C14, C17, C65, C67, C68, C57,
 C61, C51, C55, C20, C24, C6, C12, C15, C16, C18, C58, C60, C52, C54, C21, C23,
 C5, C3, C59, C53, C22, C4, C62, C25
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.003
 C37, C38, C39, C36
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.003
 C32, C34A, C35A, C33A, C31
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.003
 C27, C29A, C26A, C28A, C30
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.003
 Si3, C38A, C33A, C69, C34A, C70, C26A, C71, C39A, C72, C35A, C73, C29A, C74,
 C28A, C36A, C37
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.003
 C27, C26, C29, C28, C30
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C41, C43, C44, C42, C40
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C32, C35, C34, C33, C31
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C13, C18, C16, C15, Si1
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.003
6. Others
 Sof(Si3)=Sof(C69)=Sof(H69A)=Sof(H69B)=Sof(H69C)=Sof(C70)=Sof(H70A)=Sof(H70B)=
 Sof(H70C)=Sof(C71)=Sof(C72)=Sof(H72A)=Sof(H72B)=Sof(H72C)=Sof(C73)=Sof(H73A)=
 Sof(H73B)=Sof(H73C)=Sof(C74)=Sof(H74A)=Sof(H74B)=Sof(H74C)=1-FVAR(1)
 Sof(Si2)=Sof(C63)=Sof(H63A)=Sof(H63B)=Sof(H63C)=Sof(C64)=Sof(H64A)=Sof(H64B)=
 Sof(H64C)=Sof(C65)=Sof(H65A)=Sof(H65B)=Sof(H65C)=Sof(C66)=Sof(C67)=Sof(H67A)=
 Sof(H67B)=Sof(H67C)=Sof(C68)=Sof(H68A)=Sof(H68B)=Sof(H68C)=FVAR(1)
 Sof(C36A)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(C38A)=Sof(H38D)=Sof(H38E)=
 Sof(H38F)=Sof(C39A)=Sof(H39D)=Sof(H39E)=Sof(H39F)=1-FVAR(2)
 Sof(C36)=Sof(H36A)=Sof(H36B)=Sof(H36C)=Sof(C38)=Sof(H38A)=Sof(H38B)=Sof(H38C)=
 Sof(C39)=Sof(H39A)=Sof(H39B)=Sof(H39C)=FVAR(2)
 Sof(C34A)=Sof(H34D)=Sof(H34E)=Sof(H34F)=Sof(C35A)=Sof(H35D)=Sof(H35E)=
 Sof(H35F)=Sof(C33A)=Sof(H33D)=Sof(H33E)=Sof(H33F)=1-FVAR(3)
 Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(H33C)=Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(H34C)=
 Sof(C35)=Sof(H35A)=Sof(H35B)=Sof(H35C)=FVAR(3)
 Sof(C29A)=Sof(H29D)=Sof(H29E)=Sof(H29F)=Sof(C26A)=Sof(H26D)=Sof(H26E)=
 Sof(H26F)=Sof(C28A)=Sof(H28D)=Sof(H28E)=Sof(H28F)=1-FVAR(4)
 Sof(C26)=Sof(H26A)=Sof(H26B)=Sof(H26C)=Sof(C28)=Sof(H28A)=Sof(H28B)=Sof(H28C)=
 Sof(C29)=Sof(H29A)=Sof(H29B)=Sof(H29C)=FVAR(4)
7.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C8(H8A,H8B), C11(H11A,H11B), C45(H45A,H45B), C48(H48A,H48B),
 C49(H49A,H49B)
7.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C12(H12), C20(H20), C21(H21), C23(H23),
 C24(H24), C55(H55), C54(H54), C53(H53), C52(H52), C51(H51), C57(H57), C58(H58),
  C60(H60), C61(H61)
7.c Fitted hexagon refined as free rotating group:
 C50(C55,C54,C53,C52,C51)
7.d Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C), C17(H17A,H17B,
 H17C), C18(H18A,H18B,H18C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C28(H28A,
 H28B,H28C), C29(H29A,H29B,H29C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C38(H38A,H38B,H38C), C39(H39A,H39B,
 H39C), C42(H42A,H42B,H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C62(H62A,
 H62B,H62C), C63(H63A,H63B,H63C), C64(H64A,H64B,H64C), C65(H65A,H65B,H65C),
 C67(H67A,H67B,H67C), C68(H68A,H68B,H68C), C69(H69A,H69B,H69C), C70(H70A,H70B,
 H70C), C72(H72A,H72B,H72C), C73(H73A,H73B,H73C), C74(H74A,H74B,H74C),
 C36A(H36D,H36E,H36F), C38A(H38D,H38E,H38F), C39A(H39D,H39E,H39F), C34A(H34D,
 H34E,H34F), C35A(H35D,H35E,H35F), C33A(H33D,H33E,H33F), C29A(H29D,H29E,H29F),
 C26A(H26D,H26E,H26F), C28A(H28D,H28E,H28F)
;
_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
Rh1 Rh 0.20506(4) 0.74411(3) 0.29214(2) 0.0492(2) Uani 1 1 d . . . . .
Rh2 Rh 0.33898(4) 0.73615(3) 0.36209(2) 0.0477(2) Uani 1 1 d . . . . .
S1 S 0.68148(18) 0.60671(14) 0.43371(11) 0.0926(8) Uani 1 1 d . . . . .
S2 S -0.1425(2) 0.86831(16) 0.21644(12) 0.1043(9) Uani 1 1 d . . . . .
Si1 Si 0.5009(3) 0.8153(2) 0.56967(13) 0.1273(13) Uani 1 1 d . U . . .
Si2 Si 0.0692(4) 0.6411(4) 0.1023(2) 0.124(2) Uani 0.630(5) 1 d D U P A 1
Si3 Si 0.0576(8) 0.6920(6) 0.0774(3) 0.1211(18) Uani 0.370(5) 1 d D U P A 2
O1 O 0.6389(5) 0.5709(4) 0.3908(3) 0.105(2) Uani 1 1 d . . . . .
O2 O 0.7813(5) 0.5993(4) 0.4568(3) 0.132(3) Uani 1 1 d . . . . .
O3 O 0.4466(6) 0.8080(4) 0.5127(3) 0.132(3) Uani 1 1 d . . . . .
O4 O 0.2909(3) 0.7987(3) 0.25877(17) 0.0619(13) Uani 1 1 d . . . . .
O5 O 0.4169(3) 0.7893(3) 0.32438(17) 0.0591(12) Uani 1 1 d . . . . .
O6 O 0.2527(4) 0.6623(2) 0.26581(18) 0.0622(13) Uani 1 1 d . . . . .
O7 O 0.3756(3) 0.6534(2) 0.33204(18) 0.0587(12) Uani 1 1 d . . . . .
O8 O 0.2529(3) 0.6837(3) 0.39617(17) 0.0608(13) Uani 1 1 d . . . . .
O9 O 0.2914(3) 0.8175(2) 0.38805(17) 0.0575(12) Uani 1 1 d . . . . .
O10 O 0.1271(3) 0.6909(3) 0.33037(18) 0.0620(13) Uani 1 1 d . . . . .
O11 O 0.1663(3) 0.8257(2) 0.32256(18) 0.0589(12) Uani 1 1 d . . . . .
O12 O -0.1082(6) 0.9045(4) 0.2601(3) 0.121(2) Uani 1 1 d . . . . .
O13 O -0.2420(5) 0.8718(5) 0.1906(3) 0.146(3) Uani 1 1 d . . . . .
O14 O 0.0911(6) 0.7070(4) 0.1278(3) 0.1364(18) Uani 1 1 d D U . . .
N1 N 0.6666(4) 0.6823(4) 0.4176(3) 0.0778(18) Uani 1 1 d . . . . .
N3 N -0.1236(5) 0.7932(4) 0.2327(3) 0.0850(19) Uani 1 1 d . . . . .
C1 C 0.7411(6) 0.7894(6) 0.4233(3) 0.084(2) Uani 1 1 d . . . . .
C2 C 0.1661(5) 0.6713(4) 0.3723(3) 0.0584(17) Uani 1 1 d . . . . .
C3 C 0.8166(10) 0.8335(7) 0.3617(5) 0.132(4) Uani 1 1 d . . . . .
H3 H 0.852489 0.827750 0.337998 0.158 Uiso 1 1 calc R U . . .
C4 C 0.7821(11) 0.8904(8) 0.3698(6) 0.145(5) Uani 1 1 d . . . . .
H4 H 0.798362 0.925497 0.352717 0.173 Uiso 1 1 calc R U . . .
C5 C 0.7251(12) 0.9004(8) 0.4012(6) 0.154(5) Uani 1 1 d . . . . .
H5 H 0.699181 0.940985 0.403860 0.185 Uiso 1 1 calc R U . . .
C6 C 0.7042(9) 0.8486(6) 0.4306(5) 0.117(3) Uani 1 1 d . . . . .
H6 H 0.667068 0.854702 0.453777 0.140 Uiso 1 1 calc R U . . .
C7 C 0.7195(6) 0.7322(5) 0.4509(4) 0.086(2) Uani 1 1 d . . . . .
H7A H 0.780023 0.714423 0.469954 0.103 Uiso 1 1 calc R U . . .
H7B H 0.680640 0.745299 0.473674 0.103 Uiso 1 1 calc R U . . .
C8 C 0.5721(5) 0.7021(4) 0.3886(3) 0.074(2) Uani 1 1 d . . . . .
H8A H 0.542901 0.666380 0.368066 0.089 Uiso 1 1 calc R U . . .
H8B H 0.581109 0.736909 0.367014 0.089 Uiso 1 1 calc R U . . .
C9 C 0.5043(6) 0.7234(4) 0.4187(3) 0.069(2) Uani 1 1 d . . . . .
C10 C 0.4586(5) 0.7386(3) 0.4445(3) 0.0572(16) Uani 1 1 d . . . . .
C11 C 0.4090(7) 0.7556(5) 0.4871(3) 0.087(2) Uani 1 1 d . . . . .
H11A H 0.340152 0.762587 0.473517 0.104 Uiso 1 1 calc R U . . .
H11B H 0.415418 0.719319 0.509443 0.104 Uiso 1 1 calc R U . . .
C12 C 0.7970(7) 0.7824(6) 0.3904(4) 0.107(3) Uani 1 1 d . . . . .
H12 H 0.823237 0.742236 0.386626 0.129 Uiso 1 1 calc R U . . .
C13 C 0.5239(15) 0.8955(9) 0.5828(7) 0.184(4) Uani 1 1 d . U . . .
C14 C 0.4167(10) 0.7847(7) 0.6090(4) 0.142(2) Uani 1 1 d . U . . .
H14A H 0.351107 0.797810 0.594535 0.212 Uiso 1 1 calc R U . . .
H14B H 0.436602 0.802252 0.641555 0.212 Uiso 1 1 calc R U . . .
H14C H 0.419831 0.738671 0.610648 0.212 Uiso 1 1 calc R U . . .
C15 C 0.4307(12) 0.9367(8) 0.5731(6) 0.188(4) Uani 1 1 d . U . . .
H15A H 0.393716 0.926408 0.596908 0.282 Uiso 1 1 calc R U . . .
H15B H 0.392382 0.928022 0.540629 0.282 Uiso 1 1 calc R U . . .
H15C H 0.448048 0.981401 0.575746 0.282 Uiso 1 1 calc R U . . .
C16 C 0.5796(12) 0.9102(8) 0.6361(6) 0.185(4) Uani 1 1 d . U . . .
H16A H 0.569595 0.954332 0.643670 0.278 Uiso 1 1 calc R U . . .
H16B H 0.647802 0.902587 0.639266 0.278 Uiso 1 1 calc R U . . .
H16C H 0.556008 0.882844 0.658455 0.278 Uiso 1 1 calc R U . . .
C17 C 0.6146(9) 0.7693(7) 0.5798(5) 0.144(2) Uani 1 1 d . U . . .
H17A H 0.607056 0.734555 0.556623 0.216 Uiso 1 1 calc R U . . .
H17B H 0.629755 0.752391 0.612663 0.216 Uiso 1 1 calc R U . . .
H17C H 0.666344 0.796917 0.575392 0.216 Uiso 1 1 calc R U . . .
C18 C 0.5847(12) 0.9242(8) 0.5437(6) 0.190(4) Uani 1 1 d . U . . .
H18A H 0.549388 0.915426 0.510637 0.284 Uiso 1 1 calc R U . . .
H18B H 0.647510 0.904144 0.549489 0.284 Uiso 1 1 calc R U . . .
H18C H 0.592586 0.969804 0.548202 0.284 Uiso 1 1 calc R U . . .
C19 C 0.6127(7) 0.5927(5) 0.4778(4) 0.085(2) Uani 1 1 d . . . . .
C20 C 0.6560(9) 0.5963(6) 0.5271(4) 0.117(4) Uani 1 1 d . . . . .
H20 H 0.722781 0.602655 0.537678 0.140 Uiso 1 1 calc R U . . .
C21 C 0.5986(11) 0.5904(6) 0.5605(5) 0.127(4) Uani 1 1 d . . . . .
H21 H 0.628559 0.590314 0.593875 0.153 Uiso 1 1 calc R U . . .
C22 C 0.5022(11) 0.5847(6) 0.5473(5) 0.116(3) Uani 1 1 d . . . . .
C23 C 0.4604(9) 0.5794(5) 0.4981(4) 0.101(3) Uani 1 1 d . . . . .
H23 H 0.393631 0.572854 0.488114 0.121 Uiso 1 1 calc R U . . .
C24 C 0.5140(7) 0.5836(4) 0.4630(4) 0.082(2) Uani 1 1 d . . . . .
H24 H 0.483882 0.580368 0.429746 0.099 Uiso 1 1 calc R U . . .
C25 C 0.4397(12) 0.5805(7) 0.5839(5) 0.170(6) Uani 1 1 d . . . . .
H25A H 0.479897 0.583656 0.616618 0.255 Uiso 1 1 calc R U . . .
H25B H 0.405822 0.540179 0.580155 0.255 Uiso 1 1 calc R U . . .
H25C H 0.393390 0.615052 0.578360 0.255 Uiso 1 1 calc R U . . .
C26 C 0.5362(14) 0.8319(13) 0.2648(10) 0.081(2) Uani 0.383(14) 1 d D U P B 1
H26A H 0.534117 0.788242 0.253415 0.121 Uiso 0.383(14) 1 calc R U P B 1
H26B H 0.569512 0.833596 0.298852 0.121 Uiso 0.383(14) 1 calc R U P B 1
H26C H 0.569988 0.857964 0.245787 0.121 Uiso 0.383(14) 1 calc R U P B 1
C27 C 0.4376(6) 0.8558(5) 0.2591(3) 0.0811(19) Uani 1 1 d D U . . .
C28 C 0.3930(18) 0.8636(14) 0.2044(7) 0.081(3) Uani 0.383(14) 1 d D U P B 1
H28A H 0.428264 0.895705 0.191030 0.122 Uiso 0.383(14) 1 calc R U P B 1
H28B H 0.326192 0.876492 0.199695 0.122 Uiso 0.383(14) 1 calc R U P B 1
H28C H 0.396266 0.823411 0.187945 0.122 Uiso 0.383(14) 1 calc R U P B 1
C29 C 0.436(2) 0.9176(10) 0.2883(9) 0.080(3) Uani 0.383(14) 1 d D U P B 1
H29A H 0.482649 0.914844 0.319146 0.120 Uiso 0.383(14) 1 calc R U P B 1
H29B H 0.371914 0.923474 0.294312 0.120 Uiso 0.383(14) 1 calc R U P B 1
H29C H 0.451012 0.953449 0.269826 0.120 Uiso 0.383(14) 1 calc R U P B 1
C30 C 0.3774(5) 0.8106(4) 0.2822(3) 0.0577(15) Uani 1 1 d . U . . .
C31 C 0.3259(6) 0.6335(4) 0.2918(3) 0.0589(16) Uani 1 1 d . . . . .
C32 C 0.3565(7) 0.5706(5) 0.2717(4) 0.089(2) Uani 1 1 d D . . . .
C33 C 0.269(2) 0.5358(16) 0.2448(19) 0.137(12) Uani 0.43(3) 1 d D . P C 1
H33A H 0.233443 0.520211 0.267662 0.206 Uiso 0.43(3) 1 calc R U P C 1
H33B H 0.288872 0.500165 0.227400 0.206 Uiso 0.43(3) 1 calc R U P C 1
H33C H 0.229084 0.564295 0.221683 0.206 Uiso 0.43(3) 1 calc R U P C 1
C34 C 0.417(4) 0.5929(16) 0.2338(19) 0.155(13) Uani 0.43(3) 1 d D . P C 1
H34A H 0.400909 0.636683 0.224489 0.232 Uiso 0.43(3) 1 calc R U P C 1
H34B H 0.401477 0.565989 0.205183 0.232 Uiso 0.43(3) 1 calc R U P C 1
H34C H 0.485129 0.589719 0.248792 0.232 Uiso 0.43(3) 1 calc R U P C 1
C35 C 0.416(3) 0.5273(15) 0.3077(10) 0.119(9) Uani 0.43(3) 1 d D . P C 1
H35A H 0.474398 0.548756 0.323913 0.179 Uiso 0.43(3) 1 calc R U P C 1
H35B H 0.431348 0.489664 0.291256 0.179 Uiso 0.43(3) 1 calc R U P C 1
H35C H 0.379690 0.515079 0.331553 0.179 Uiso 0.43(3) 1 calc R U P C 1
C36 C 0.0159(19) 0.6022(18) 0.3631(10) 0.098(4) Uani 0.376(16) 1 d D U P D 1
H36A H 0.035042 0.568183 0.344187 0.147 Uiso 0.376(16) 1 calc R U P D 1
H36B H -0.015290 0.635648 0.341442 0.147 Uiso 0.376(16) 1 calc R U P D 1
H36C H -0.028561 0.585806 0.381472 0.147 Uiso 0.376(16) 1 calc R U P D 1
C37 C 0.1039(7) 0.6288(6) 0.3979(4) 0.098(3) Uani 1 1 d D U . . .
C38 C 0.162(2) 0.5762(14) 0.4276(13) 0.099(4) Uani 0.376(16) 1 d D U P D 1
H38A H 0.125011 0.557036 0.448629 0.148 Uiso 0.376(16) 1 calc R U P D 1
H38B H 0.221342 0.593713 0.447330 0.148 Uiso 0.376(16) 1 calc R U P D 1
H38C H 0.177531 0.544121 0.405867 0.148 Uiso 0.376(16) 1 calc R U P D 1
C39 C 0.069(2) 0.6754(13) 0.4328(11) 0.099(3) Uani 0.376(16) 1 d D U P D 1
H39A H 0.040502 0.712689 0.414827 0.149 Uiso 0.376(16) 1 calc R U P D 1
H39B H 0.122691 0.688038 0.458764 0.149 Uiso 0.376(16) 1 calc R U P D 1
H39C H 0.020569 0.654450 0.446722 0.149 Uiso 0.376(16) 1 calc R U P D 1
C40 C 0.2153(5) 0.8455(4) 0.3631(3) 0.0580(16) Uani 1 1 d . . . . .
C41 C 0.1818(8) 0.9052(5) 0.3848(4) 0.102(2) Uani 1 1 d . U . . .
C42 C 0.2393(8) 0.9183(6) 0.4365(4) 0.128(3) Uani 1 1 d . U . . .
H42A H 0.230930 0.883338 0.457546 0.192 Uiso 1 1 calc R U . . .
H42B H 0.216678 0.957371 0.448283 0.192 Uiso 1 1 calc R U . . .
H42C H 0.307045 0.922509 0.436498 0.192 Uiso 1 1 calc R U . . .
C43 C 0.0774(8) 0.8991(6) 0.3862(5) 0.123(3) Uani 1 1 d . U . . .
H43A H 0.039418 0.889722 0.353793 0.185 Uiso 1 1 calc R U . . .
H43B H 0.055440 0.938710 0.397575 0.185 Uiso 1 1 calc R U . . .
H43C H 0.070057 0.864974 0.408209 0.185 Uiso 1 1 calc R U . . .
C44 C 0.1936(9) 0.9595(5) 0.3520(4) 0.125(3) Uani 1 1 d . U . . .
H44A H 0.244859 0.949725 0.335777 0.187 Uiso 1 1 calc R U . . .
H44B H 0.209599 0.997883 0.371183 0.187 Uiso 1 1 calc R U . . .
H44C H 0.133870 0.965843 0.327793 0.187 Uiso 1 1 calc R U . . .
C45 C 0.1469(8) 0.7342(5) 0.1685(3) 0.099(3) Uani 1 1 d . U . . .
H45A H 0.171696 0.774818 0.159516 0.118 Uiso 1 1 calc R U . . .
H45B H 0.202255 0.706486 0.181253 0.118 Uiso 1 1 calc R U . . .
C46 C 0.0913(6) 0.7460(4) 0.2094(3) 0.0645(18) Uani 1 1 d . . . . .
C47 C 0.0440(6) 0.7588(4) 0.2348(3) 0.072(2) Uani 1 1 d . . . . .
C48 C -0.0288(6) 0.7766(5) 0.2638(3) 0.080(2) Uani 1 1 d . . . . .
H48A H -0.036523 0.740872 0.284907 0.096 Uiso 1 1 calc R U . . .
H48B H -0.004268 0.812936 0.284835 0.096 Uiso 1 1 calc R U . . .
C49 C -0.1725(7) 0.7421(5) 0.1996(4) 0.095(3) Uani 1 1 d . . . . .
H49A H -0.129307 0.726344 0.179785 0.113 Uiso 1 1 calc R U . . .
H49B H -0.230309 0.759329 0.177519 0.113 Uiso 1 1 calc R U . . .
C50 C -0.2005(5) 0.6878(4) 0.2290(3) 0.090(2) Uani 1 1 d G . . . .
C55 C -0.2614(5) 0.7019(3) 0.2602(3) 0.135(4) Uani 1 1 d G . . . .
H55 H -0.282847 0.743824 0.262497 0.162 Uiso 1 1 calc R U . . .
C54 C -0.2902(6) 0.6535(5) 0.2881(3) 0.156(5) Uani 1 1 d G . . . .
H54 H -0.330906 0.662943 0.308931 0.188 Uiso 1 1 calc R U . . .
C53 C -0.2581(7) 0.5909(4) 0.2847(3) 0.152(5) Uani 1 1 d G . . . .
H53 H -0.277317 0.558452 0.303282 0.182 Uiso 1 1 calc R U . . .
C52 C -0.1972(7) 0.5767(3) 0.2535(3) 0.161(5) Uani 1 1 d G . . . .
H52 H -0.175669 0.534842 0.251199 0.193 Uiso 1 1 calc R U . . .
C51 C -0.1684(5) 0.6252(4) 0.2256(3) 0.131(4) Uani 1 1 d G . . . .
H51 H -0.127608 0.615723 0.204764 0.157 Uiso 1 1 calc R U . . .
C56 C -0.0704(8) 0.8880(5) 0.1760(4) 0.096(3) Uani 1 1 d . . . . .
C57 C -0.1034(10) 0.8770(7) 0.1269(4) 0.140(5) Uani 1 1 d . . . . .
H57 H -0.165098 0.860007 0.114485 0.168 Uiso 1 1 calc R U . . .
C58 C -0.0419(13) 0.8918(8) 0.0958(6) 0.158(6) Uani 1 1 d . . . . .
H58 H -0.065231 0.884837 0.062209 0.190 Uiso 1 1 calc R U . . .
C59 C 0.0460(14) 0.9149(8) 0.1106(6) 0.149(5) Uani 1 1 d . . . . .
C60 C 0.0824(11) 0.9245(7) 0.1602(5) 0.138(4) Uani 1 1 d . . . . .
H60 H 0.145519 0.939538 0.172029 0.166 Uiso 1 1 calc R U . . .
C61 C 0.0217(9) 0.9111(6) 0.1926(5) 0.115(3) Uani 1 1 d . . . . .
H61 H 0.045117 0.918251 0.226100 0.137 Uiso 1 1 calc R U . . .
C62 C 0.1113(14) 0.9306(10) 0.0759(6) 0.228(9) Uani 1 1 d . . . . .
H62A H 0.129171 0.891567 0.061910 0.342 Uiso 1 1 calc R U . . .
H62B H 0.168931 0.951947 0.093827 0.342 Uiso 1 1 calc R U . . .
H62C H 0.077111 0.958148 0.050095 0.342 Uiso 1 1 calc R U . . .
C63 C 0.0321(13) 0.5898(9) 0.1479(6) 0.135(3) Uani 0.630(5) 1 d D U P A 1
H63A H 0.088764 0.571337 0.169192 0.203 Uiso 0.630(5) 1 calc R U P A 1
H63B H -0.009256 0.556042 0.131364 0.203 Uiso 0.630(5) 1 calc R U P A 1
H63C H -0.002651 0.614955 0.166964 0.203 Uiso 0.630(5) 1 calc R U P A 1
C64 C 0.1675(13) 0.5923(11) 0.0897(7) 0.177(11) Uani 0.630(5) 1 d D . P A 1
H64A H 0.214322 0.619514 0.079754 0.266 Uiso 0.630(5) 1 calc R U P A 1
H64B H 0.141673 0.562285 0.063885 0.266 Uiso 0.630(5) 1 calc R U P A 1
H64C H 0.198452 0.569201 0.118942 0.266 Uiso 0.630(5) 1 calc R U P A 1
C65 C -0.0528(14) 0.5862(8) 0.0219(8) 0.160(5) Uani 0.630(5) 1 d D . P A 1
H65A H 0.006354 0.570342 0.014876 0.240 Uiso 0.630(5) 1 calc R U P A 1
H65B H -0.100530 0.592441 -0.008314 0.240 Uiso 0.630(5) 1 calc R U P A 1
H65C H -0.076737 0.555704 0.042058 0.240 Uiso 0.630(5) 1 calc R U P A 1
C66 C -0.0327(11) 0.6505(9) 0.0494(6) 0.160(5) Uani 0.630(5) 1 d D . P A 1
C67 C -0.1211(13) 0.6750(11) 0.0674(8) 0.160(5) Uani 0.630(5) 1 d D . P A 1
H67A H -0.132634 0.647168 0.092877 0.240 Uiso 0.630(5) 1 calc R U P A 1
H67B H -0.177303 0.675212 0.040416 0.240 Uiso 0.630(5) 1 calc R U P A 1
H67C H -0.108515 0.717749 0.080093 0.240 Uiso 0.630(5) 1 calc R U P A 1
C68 C 0.0019(14) 0.7014(9) 0.0169(7) 0.160(5) Uani 0.630(5) 1 d D . P A 1
H68A H -0.041604 0.737523 0.012489 0.240 Uiso 0.630(5) 1 calc R U P A 1
H68B H 0.002276 0.682998 -0.014538 0.240 Uiso 0.630(5) 1 calc R U P A 1
H68C H 0.066351 0.715351 0.032652 0.240 Uiso 0.630(5) 1 calc R U P A 1
C69 C 0.000(3) 0.6149(10) 0.0579(12) 0.179(18) Uani 0.370(5) 1 d D . P A 2
H69A H 0.038448 0.591700 0.039455 0.269 Uiso 0.370(5) 1 calc R U P A 2
H69B H -0.063969 0.622003 0.037585 0.269 Uiso 0.370(5) 1 calc R U P A 2
H69C H -0.004909 0.590299 0.086306 0.269 Uiso 0.370(5) 1 calc R U P A 2
C70 C -0.0599(18) 0.7337(18) 0.0572(15) 0.23(2) Uani 0.370(5) 1 d D . P A 2
H70A H -0.104297 0.706844 0.034527 0.339 Uiso 0.370(5) 1 calc R U P A 2
H70B H -0.050419 0.773237 0.041246 0.339 Uiso 0.370(5) 1 calc R U P A 2
H70C H -0.086296 0.742648 0.085223 0.339 Uiso 0.370(5) 1 calc R U P A 2
C71 C 0.1390(16) 0.7159(10) 0.0349(7) 0.129(2) Uani 0.370(5) 1 d D U P A 2
C72 C 0.103(2) 0.7623(12) -0.0097(10) 0.128(3) Uani 0.370(5) 1 d D U P A 2
H72A H 0.034092 0.767045 -0.015959 0.191 Uiso 0.370(5) 1 calc R U P A 2
H72B H 0.120714 0.744793 -0.038393 0.191 Uiso 0.370(5) 1 calc R U P A 2
H72C H 0.133854 0.803492 -0.002276 0.191 Uiso 0.370(5) 1 calc R U P A 2
C73 C 0.146(2) 0.6471(10) 0.0134(9) 0.134(3) Uani 0.370(5) 1 d D U P A 2
H73A H 0.171482 0.617822 0.039831 0.201 Uiso 0.370(5) 1 calc R U P A 2
H73B H 0.188794 0.648190 -0.008810 0.201 Uiso 0.370(5) 1 calc R U P A 2
H73C H 0.082674 0.633226 -0.003871 0.201 Uiso 0.370(5) 1 calc R U P A 2
C74 C 0.2429(17) 0.7373(14) 0.0620(10) 0.127(3) Uani 0.370(5) 1 d D U P A 2
H74A H 0.238320 0.771247 0.084700 0.190 Uiso 0.370(5) 1 calc R U P A 2
H74B H 0.277542 0.752462 0.038458 0.190 Uiso 0.370(5) 1 calc R U P A 2
H74C H 0.276985 0.701530 0.079753 0.190 Uiso 0.370(5) 1 calc R U P A 2
C36A C 0.107(3) 0.5640(12) 0.3740(14) 0.252(17) Uani 0.624(16) 1 d D . P D 2
H36D H 0.072533 0.533190 0.389289 0.377 Uiso 0.624(16) 1 calc R U P D 2
H36E H 0.172985 0.550661 0.377811 0.377 Uiso 0.624(16) 1 calc R U P D 2
H36F H 0.075970 0.567054 0.339572 0.377 Uiso 0.624(16) 1 calc R U P D 2
C38A C 0.148(2) 0.6220(19) 0.4520(7) 0.194(14) Uani 0.624(16) 1 d D . P D 2
H38D H 0.099275 0.608926 0.468657 0.291 Uiso 0.624(16) 1 calc R U P D 2
H38E H 0.175198 0.662546 0.464922 0.291 Uiso 0.624(16) 1 calc R U P D 2
H38F H 0.199072 0.590333 0.456904 0.291 Uiso 0.624(16) 1 calc R U P D 2
C39A C 0.0015(14) 0.6546(18) 0.3894(13) 0.221(17) Uani 0.624(16) 1 d D . P D 2
H39D H -0.025897 0.657904 0.354635 0.332 Uiso 0.624(16) 1 calc R U P D 2
H39E H 0.002582 0.696230 0.404217 0.332 Uiso 0.624(16) 1 calc R U P D 2
H39F H -0.037399 0.625915 0.403800 0.332 Uiso 0.624(16) 1 calc R U P D 2
C34A C 0.4664(14) 0.5778(16) 0.2717(15) 0.135(11) Uani 0.57(3) 1 d D . P C 2
H34D H 0.483306 0.622582 0.272770 0.203 Uiso 0.57(3) 1 calc R U P C 2
H34E H 0.478493 0.558948 0.242264 0.203 Uiso 0.57(3) 1 calc R U P C 2
H34F H 0.505200 0.556440 0.299934 0.203 Uiso 0.57(3) 1 calc R U P C 2
C35A C 0.346(4) 0.5214(11) 0.3089(11) 0.159(12) Uani 0.57(3) 1 d D . P C 2
H35D H 0.403937 0.520866 0.334970 0.238 Uiso 0.57(3) 1 calc R U P C 2
H35E H 0.336651 0.479867 0.293613 0.238 Uiso 0.57(3) 1 calc R U P C 2
H35F H 0.291059 0.531817 0.322185 0.238 Uiso 0.57(3) 1 calc R U P C 2
C33A C 0.301(3) 0.557(2) 0.2213(10) 0.158(12) Uani 0.57(3) 1 d D . P C 2
H33D H 0.232795 0.555833 0.220705 0.236 Uiso 0.57(3) 1 calc R U P C 2
H33E H 0.320932 0.516536 0.210682 0.236 Uiso 0.57(3) 1 calc R U P C 2
H33F H 0.313053 0.590442 0.199642 0.236 Uiso 0.57(3) 1 calc R U P C 2
C29A C 0.3745(15) 0.8993(13) 0.2221(11) 0.161(2) Uani 0.617(14) 1 d D U P B 2
H29D H 0.329712 0.873919 0.198446 0.241 Uiso 0.617(14) 1 calc R U P B 2
H29E H 0.414676 0.924043 0.205511 0.241 Uiso 0.617(14) 1 calc R U P B 2
H29F H 0.338956 0.927701 0.238567 0.241 Uiso 0.617(14) 1 calc R U P B 2
C26A C 0.513(2) 0.8886(16) 0.2945(8) 0.196(10) Uani 0.617(14) 1 d D U P B 2
H26D H 0.496639 0.889595 0.325925 0.294 Uiso 0.617(14) 1 calc R U P B 2
H26E H 0.519764 0.931811 0.283547 0.294 Uiso 0.617(14) 1 calc R U P B 2
H26F H 0.573957 0.866321 0.297499 0.294 Uiso 0.617(14) 1 calc R U P B 2
C28A C 0.491(3) 0.8137(13) 0.2285(14) 0.2265(19) Uani 0.617(14) 1 d D U P B 2
H28D H 0.532575 0.783782 0.249688 0.340 Uiso 0.617(14) 1 calc R U P B 2
H28E H 0.529853 0.840566 0.212510 0.340 Uiso 0.617(14) 1 calc R U P B 2
H28F H 0.444465 0.790653 0.204094 0.340 Uiso 0.617(14) 1 calc R U 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
Rh1 Rh2 2.3901(8) . ?
Rh1 O4 2.037(5) . ?
Rh1 O6 2.030(5) . ?
Rh1 O10 2.030(5) . ?
Rh1 O11 2.030(5) . ?
Rh1 C46 2.490(8) . ?
Rh1 C47 2.479(8) . ?
Rh2 O5 2.020(5) . ?
Rh2 O7 2.034(5) . ?
Rh2 O8 2.027(5) . ?
Rh2 O9 2.017(5) . ?
Rh2 C9 2.513(8) . ?
Rh2 C10 2.522(7) . ?
S1 O1 1.421(7) . ?
S1 O2 1.417(7) . ?
S1 N1 1.636(8) . ?
S1 C19 1.759(10) . ?
S2 O12 1.419(8) . ?
S2 O13 1.426(7) . ?
S2 N3 1.633(9) . ?
S2 C56 1.735(11) . ?
Si1 O3 1.606(8) . ?
Si1 C13 1.724(18) . ?
Si1 C14 1.905(14) . ?
Si1 C17 1.833(13) . ?
Si2 O14 1.544(10) . ?
Si2 C63 1.828(9) . ?
Si2 C64 1.818(9) . ?
Si2 C66 1.818(18) . ?
Si3 O14 1.412(10) . ?
Si3 C69 1.826(10) . ?
Si3 C70 1.841(10) . ?
Si3 C71 1.90(2) . ?
O3 C11 1.344(11) . ?
O4 C30 1.270(8) . ?
O5 C30 1.261(8) . ?
O6 C31 1.268(8) . ?
O7 C31 1.250(8) . ?
O8 C2 1.280(8) . ?
O9 C40 1.278(8) . ?
O10 C2 1.241(8) . ?
O11 C40 1.253(8) . ?
O14 C45 1.348(11) . ?
N1 C7 1.477(11) . ?
N1 C8 1.452(9) . ?
N3 C48 1.459(10) . ?
N3 C49 1.472(12) . ?
C1 C6 1.371(15) . ?
C1 C7 1.487(13) . ?
C1 C12 1.352(13) . ?
C2 C37 1.535(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.319(18) . ?
C3 C12 1.397(16) . ?
C4 H4 0.9300 . ?
C4 C5 1.336(18) . ?
C5 H5 0.9300 . ?
C5 C6 1.428(18) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 C9 1.481(12) . ?
C9 C10 1.118(11) . ?
C10 C11 1.554(12) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12 0.9300 . ?
C13 C15 1.54(2) . ?
C13 C16 1.54(2) . ?
C13 C18 1.65(2) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.374(13) . ?
C19 C24 1.373(12) . ?
C20 H20 0.9300 . ?
C20 C21 1.376(16) . ?
C21 H21 0.9300 . ?
C21 C22 1.331(17) . ?
C22 C23 1.368(15) . ?
C22 C25 1.500(16) . ?
C23 H23 0.9300 . ?
C23 C24 1.371(13) . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9603 . ?
C26 H26B 0.9604 . ?
C26 H26C 0.9603 . ?
C26 C27 1.452(18) . ?
C27 C28 1.521(19) . ?
C27 C29 1.528(19) . ?
C27 C30 1.509(11) . ?
C27 C29A 1.503(18) . ?
C27 C26A 1.450(18) . ?
C27 C28A 1.539(19) . ?
C28 H28A 0.9601 . ?
C28 H28B 0.9601 . ?
C28 H28C 0.9601 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C31 C32 1.527(11) . ?
C32 C33 1.475(19) . ?
C32 C34 1.57(2) . ?
C32 C35 1.460(19) . ?
C32 C34A 1.560(18) . ?
C32 C35A 1.491(19) . ?
C32 C33A 1.469(18) . ?
C33 H33A 0.9601 . ?
C33 H33B 0.9601 . ?
C33 H33C 0.9601 . ?
C34 H34A 0.9601 . ?
C34 H34B 0.9601 . ?
C34 H34C 0.9601 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C36 C37 1.50(2) . ?
C37 C38 1.50(2) . ?
C37 C39 1.54(2) . ?
C37 C36A 1.51(2) . ?
C37 C38A 1.501(18) . ?
C37 C39A 1.51(2) . ?
C38 H38A 0.9601 . ?
C38 H38B 0.9601 . ?
C38 H38C 0.9601 . ?
C39 H39A 0.9601 . ?
C39 H39B 0.9601 . ?
C39 H39C 0.9601 . ?
C40 C41 1.505(11) . ?
C41 C42 1.508(14) . ?
C41 C43 1.490(14) . ?
C41 C44 1.489(15) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9700 . ?
C45 H45B 0.9700 . ?
C45 C46 1.549(13) . ?
C46 C47 1.113(12) . ?
C47 C48 1.496(12) . ?
C48 H48A 0.9700 . ?
C48 H48B 0.9700 . ?
C49 H49A 0.9700 . ?
C49 H49B 0.9700 . ?
C49 C50 1.504(12) . ?
C50 C55 1.3900 . ?
C50 C51 1.3900 . ?
C55 H55 0.9300 . ?
C55 C54 1.3900 . ?
C54 H54 0.9300 . ?
C54 C53 1.3900 . ?
C53 H53 0.9300 . ?
C53 C52 1.3900 . ?
C52 H52 0.9300 . ?
C52 C51 1.3900 . ?
C51 H51 0.9300 . ?
C56 C57 1.362(14) . ?
C56 C61 1.363(14) . ?
C57 H57 0.9300 . ?
C57 C58 1.398(18) . ?
C58 H58 0.9300 . ?
C58 C59 1.31(2) . ?
C59 C60 1.374(19) . ?
C59 C62 1.52(2) . ?
C60 H60 0.9300 . ?
C60 C61 1.411(16) . ?
C61 H61 0.9300 . ?
C62 H62A 0.9601 . ?
C62 H62B 0.9601 . ?
C62 H62C 0.9601 . ?
C63 H63A 0.9608 . ?
C63 H63B 0.9607 . ?
C63 H63C 0.9608 . ?
C64 H64A 0.9903 . ?
C64 H64B 0.9884 . ?
C64 H64C 0.9905 . ?
C65 H65A 0.9602 . ?
C65 H65B 0.9602 . ?
C65 H65C 0.9602 . ?
C65 C66 1.536(9) . ?
C66 C67 1.535(9) . ?
C66 C68 1.545(9) . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68A 0.9602 . ?
C68 H68B 0.9602 . ?
C68 H68C 0.9602 . ?
C69 H69A 1.1443 . ?
C69 H69B 1.1577 . ?
C69 H69C 1.1440 . ?
C70 H70A 0.9633 . ?
C70 H70B 0.9633 . ?
C70 H70C 0.9634 . ?
C71 C72 1.565(9) . ?
C71 C73 1.563(9) . ?
C71 C74 1.553(9) . ?
C72 H72A 0.9613 . ?
C72 H72B 0.9612 . ?
C72 H72C 0.9612 . ?
C73 H73A 0.9662 . ?
C73 H73B 0.9661 . ?
C73 H73C 0.9660 . ?
C74 H74A 0.9601 . ?
C74 H74B 0.9601 . ?
C74 H74C 0.9601 . ?
C36A H36D 0.9606 . ?
C36A H36E 0.9605 . ?
C36A H36F 0.9607 . ?
C38A H38D 0.9603 . ?
C38A H38E 0.9603 . ?
C38A H38F 0.9604 . ?
C39A H39D 0.9601 . ?
C39A H39E 0.9601 . ?
C39A H39F 0.9601 . ?
C34A H34D 0.9600 . ?
C34A H34E 0.9600 . ?
C34A H34F 0.9600 . ?
C35A H35D 0.9600 . ?
C35A H35E 0.9600 . ?
C35A H35F 0.9600 . ?
C33A H33D 0.9600 . ?
C33A H33E 0.9600 . ?
C33A H33F 0.9600 . ?
C29A H29D 0.9604 . ?
C29A H29E 0.9604 . ?
C29A H29F 0.9604 . ?
C26A H26D 0.9601 . ?
C26A H26E 0.9601 . ?
C26A H26F 0.9600 . ?
C28A H28D 0.9636 . ?
C28A H28E 0.9635 . ?
C28A H28F 0.9629 . ?

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
Rh2 Rh1 C46 168.0(2) . . ?
Rh2 Rh1 C47 166.1(2) . . ?
O4 Rh1 Rh2 88.30(13) . . ?
O4 Rh1 C46 83.7(2) . . ?
O4 Rh1 C47 100.9(3) . . ?
O6 Rh1 Rh2 88.39(14) . . ?
O6 Rh1 O4 91.1(2) . . ?
O6 Rh1 C46 82.8(2) . . ?
O6 Rh1 C47 101.6(3) . . ?
O10 Rh1 Rh2 87.44(14) . . ?
O10 Rh1 O4 175.59(19) . . ?
O10 Rh1 O6 89.9(2) . . ?
O10 Rh1 C46 100.6(3) . . ?
O10 Rh1 C47 83.0(3) . . ?
O11 Rh1 Rh2 87.42(13) . . ?
O11 Rh1 O4 88.4(2) . . ?
O11 Rh1 O6 175.80(19) . . ?
O11 Rh1 O10 90.3(2) . . ?
O11 Rh1 C46 101.3(2) . . ?
O11 Rh1 C47 82.6(3) . . ?
C47 Rh1 C46 25.9(3) . . ?
Rh1 Rh2 C9 165.1(2) . . ?
Rh1 Rh2 C10 168.9(2) . . ?
O5 Rh2 Rh1 87.69(13) . . ?
O5 Rh2 O7 91.6(2) . . ?
O5 Rh2 O8 176.19(19) . . ?
O5 Rh2 C9 81.2(3) . . ?
O5 Rh2 C10 97.7(2) . . ?
O7 Rh2 Rh1 87.13(13) . . ?
O7 Rh2 C9 83.3(3) . . ?
O7 Rh2 C10 102.3(2) . . ?
O8 Rh2 Rh1 88.51(13) . . ?
O8 Rh2 O7 88.6(2) . . ?
O8 Rh2 C9 102.6(3) . . ?
O8 Rh2 C10 86.0(2) . . ?
O9 Rh2 Rh1 88.24(13) . . ?
O9 Rh2 O5 89.7(2) . . ?
O9 Rh2 O7 175.16(19) . . ?
O9 Rh2 O8 89.9(2) . . ?
O9 Rh2 C9 101.6(3) . . ?
O9 Rh2 C10 82.2(2) . . ?
C9 Rh2 C10 25.7(2) . . ?
O1 S1 N1 105.6(4) . . ?
O1 S1 C19 107.9(5) . . ?
O2 S1 O1 120.6(5) . . ?
O2 S1 N1 106.3(5) . . ?
O2 S1 C19 108.5(5) . . ?
N1 S1 C19 107.2(4) . . ?
O12 S2 O13 120.6(5) . . ?
O12 S2 N3 105.6(5) . . ?
O12 S2 C56 107.3(6) . . ?
O13 S2 N3 105.5(5) . . ?
O13 S2 C56 108.5(5) . . ?
N3 S2 C56 108.9(5) . . ?
O3 Si1 C13 109.0(8) . . ?
O3 Si1 C14 108.7(5) . . ?
O3 Si1 C17 107.7(5) . . ?
C13 Si1 C14 108.2(8) . . ?
C13 Si1 C17 111.0(9) . . ?
C17 Si1 C14 112.2(7) . . ?
O14 Si2 C63 104.8(8) . . ?
O14 Si2 C64 120.3(10) . . ?
O14 Si2 C66 108.4(7) . . ?
C64 Si2 C63 99.3(10) . . ?
C66 Si2 C63 109.2(9) . . ?
C66 Si2 C64 113.6(9) . . ?
O14 Si3 C69 121.0(14) . . ?
O14 Si3 C70 105.9(15) . . ?
O14 Si3 C71 117.0(9) . . ?
C69 Si3 C70 90.8(6) . . ?
C69 Si3 C71 109.6(12) . . ?
C70 Si3 C71 108.5(15) . . ?
C11 O3 Si1 130.0(8) . . ?
C30 O4 Rh1 118.4(5) . . ?
C30 O5 Rh2 120.1(4) . . ?
C31 O6 Rh1 118.9(4) . . ?
C31 O7 Rh2 120.5(5) . . ?
C2 O8 Rh2 118.0(5) . . ?
C40 O9 Rh2 119.6(4) . . ?
C2 O10 Rh1 119.9(5) . . ?
C40 O11 Rh1 120.5(5) . . ?
C45 O14 Si2 141.1(9) . . ?
C45 O14 Si3 158.1(10) . . ?
C7 N1 S1 119.3(6) . . ?
C8 N1 S1 118.0(6) . . ?
C8 N1 C7 114.7(7) . . ?
C48 N3 S2 117.4(7) . . ?
C48 N3 C49 115.9(8) . . ?
C49 N3 S2 119.6(6) . . ?
C6 C1 C7 120.8(11) . . ?
C12 C1 C6 120.0(12) . . ?
C12 C1 C7 119.2(11) . . ?
O8 C2 C37 117.1(7) . . ?
O10 C2 O8 126.0(7) . . ?
O10 C2 C37 116.9(7) . . ?
C4 C3 H3 121.5 . . ?
C4 C3 C12 117.1(15) . . ?
C12 C3 H3 121.5 . . ?
C3 C4 H4 118.2 . . ?
C3 C4 C5 123.7(18) . . ?
C5 C4 H4 118.1 . . ?
C4 C5 H5 120.1 . . ?
C4 C5 C6 119.7(17) . . ?
C6 C5 H5 120.2 . . ?
C1 C6 C5 117.2(14) . . ?
C1 C6 H6 121.5 . . ?
C5 C6 H6 121.3 . . ?
N1 C7 C1 111.8(8) . . ?
N1 C7 H7A 109.2 . . ?
N1 C7 H7B 109.3 . . ?
C1 C7 H7A 109.3 . . ?
C1 C7 H7B 109.2 . . ?
H7A C7 H7B 107.9 . . ?
N1 C8 H8A 108.9 . . ?
N1 C8 H8B 108.8 . . ?
N1 C8 C9 113.5(7) . . ?
H8A C8 H8B 107.7 . . ?
C9 C8 H8A 108.9 . . ?
C9 C8 H8B 108.8 . . ?
C8 C9 Rh2 107.6(5) . . ?
C10 C9 Rh2 77.6(6) . . ?
C10 C9 C8 174.7(9) . . ?
C9 C10 Rh2 76.7(6) . . ?
C9 C10 C11 170.7(9) . . ?
C11 C10 Rh2 112.2(5) . . ?
O3 C11 C10 113.5(8) . . ?
O3 C11 H11A 108.8 . . ?
O3 C11 H11B 108.9 . . ?
C10 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C1 C12 C3 122.1(13) . . ?
C1 C12 H12 119.0 . . ?
C3 C12 H12 118.9 . . ?
C15 C13 Si1 113.0(13) . . ?
C15 C13 C16 106.5(14) . . ?
C15 C13 C18 103.7(16) . . ?
C16 C13 Si1 115.2(14) . . ?
C16 C13 C18 109.8(14) . . ?
C18 C13 Si1 108.1(12) . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
Si1 C14 H14C 109.4 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.6 . . ?
C13 C15 H15B 109.3 . . ?
C13 C15 H15C 109.4 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.3 . . ?
C13 C16 H16B 109.4 . . ?
C13 C16 H16C 109.6 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si1 C17 H17A 109.6 . . ?
Si1 C17 H17B 109.5 . . ?
Si1 C17 H17C 109.3 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.4 . . ?
C13 C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 S1 120.2(9) . . ?
C24 C19 S1 119.9(8) . . ?
C24 C19 C20 119.7(10) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 C19 118.7(12) . . ?
C21 C20 H20 120.7 . . ?
C20 C21 H21 118.5 . . ?
C22 C21 C20 123.0(13) . . ?
C22 C21 H21 118.5 . . ?
C21 C22 C23 117.5(13) . . ?
C21 C22 C25 122.8(14) . . ?
C23 C22 C25 119.6(14) . . ?
C22 C23 H23 118.9 . . ?
C22 C23 C24 122.1(12) . . ?
C24 C23 H23 119.0 . . ?
C19 C24 C23 118.9(10) . . ?
C19 C24 H24 120.5 . . ?
C23 C24 H24 120.6 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.4 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.4 . . ?
H26B C26 H26C 109.4 . . ?
C27 C26 H26A 108.2 . . ?
C27 C26 H26B 110.6 . . ?
C27 C26 H26C 109.7 . . ?
C26 C27 C28 108.1(15) . . ?
C26 C27 C29 111.5(15) . . ?
C26 C27 C30 111.2(11) . . ?
C28 C27 C29 113.1(16) . . ?
C30 C27 C28 110.6(11) . . ?
C30 C27 C29 102.4(10) . . ?
C30 C27 C28A 106.4(12) . . ?
C29A C27 C30 111.5(10) . . ?
C29A C27 C28A 104.4(18) . . ?
C26A C27 C30 113.8(11) . . ?
C26A C27 C29A 114.3(18) . . ?
C26A C27 C28A 105(2) . . ?
C27 C28 H28A 109.3 . . ?
C27 C28 H28B 108.4 . . ?
C27 C28 H28C 110.7 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 108.8 . . ?
C27 C29 H29B 110.2 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O4 C30 C27 118.1(7) . . ?
O5 C30 O4 125.3(7) . . ?
O5 C30 C27 116.5(7) . . ?
O6 C31 C32 117.2(7) . . ?
O7 C31 O6 124.9(7) . . ?
O7 C31 C32 117.9(7) . . ?
C31 C32 C34 103.7(15) . . ?
C31 C32 C34A 106.5(12) . . ?
C33 C32 C31 109.6(17) . . ?
C33 C32 C34 109(2) . . ?
C35 C32 C31 116.1(14) . . ?
C35 C32 C33 109(2) . . ?
C35 C32 C34 109(2) . . ?
C35A C32 C31 104.5(14) . . ?
C35A C32 C34A 109.0(18) . . ?
C33A C32 C31 112.4(15) . . ?
C33A C32 C34A 109.2(18) . . ?
C33A C32 C35A 115(2) . . ?
C32 C33 H33A 109.2 . . ?
C32 C33 H33B 109.6 . . ?
C32 C33 H33C 109.6 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.6 . . ?
C32 C34 H34B 109.4 . . ?
C32 C34 H34C 109.3 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C32 C35 H35A 109.6 . . ?
C32 C35 H35B 109.6 . . ?
C32 C35 H35C 109.2 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 C36 H36A 108.1 . . ?
C37 C36 H36B 110.2 . . ?
C37 C36 H36C 110.1 . . ?
C36 C37 C2 112.9(13) . . ?
C36 C37 C39 107.6(18) . . ?
C38 C37 C2 112.3(13) . . ?
C38 C37 C36 111(2) . . ?
C38 C37 C39 109.1(19) . . ?
C39 C37 C2 103.7(12) . . ?
C36A C37 C2 103.4(13) . . ?
C38A C37 C2 111.8(11) . . ?
C38A C37 C36A 108(2) . . ?
C38A C37 C39A 111(2) . . ?
C39A C37 C2 110.6(11) . . ?
C39A C37 C36A 112(2) . . ?
C37 C38 H38A 109.3 . . ?
C37 C38 H38B 108.8 . . ?
C37 C38 H38C 110.4 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 108.4 . . ?
C37 C39 H39B 110.7 . . ?
C37 C39 H39C 109.3 . . ?
H39A C39 H39B 109.4 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
O9 C40 C41 117.3(7) . . ?
O11 C40 O9 124.2(7) . . ?
O11 C40 C41 118.4(7) . . ?
C40 C41 C42 112.6(9) . . ?
C43 C41 C40 110.2(9) . . ?
C43 C41 C42 107.9(10) . . ?
C44 C41 C40 106.7(9) . . ?
C44 C41 C42 109.9(10) . . ?
C44 C41 C43 109.4(10) . . ?
C41 C42 H42A 109.4 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.6 . . ?
C41 C43 H43B 109.4 . . ?
C41 C43 H43C 109.4 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
O14 C45 H45A 109.0 . . ?
O14 C45 H45B 109.1 . . ?
O14 C45 C46 113.0(9) . . ?
H45A C45 H45B 107.8 . . ?
C46 C45 H45A 108.9 . . ?
C46 C45 H45B 109.0 . . ?
C45 C46 Rh1 110.7(5) . . ?
C47 C46 Rh1 76.5(6) . . ?
C47 C46 C45 171.7(10) . . ?
C46 C47 Rh1 77.6(6) . . ?
C46 C47 C48 173.5(9) . . ?
C48 C47 Rh1 108.9(5) . . ?
N3 C48 C47 112.7(7) . . ?
N3 C48 H48A 109.1 . . ?
N3 C48 H48B 109.0 . . ?
C47 C48 H48A 109.1 . . ?
C47 C48 H48B 109.0 . . ?
H48A C48 H48B 107.8 . . ?
N3 C49 H49A 109.7 . . ?
N3 C49 H49B 109.6 . . ?
N3 C49 C50 110.1(8) . . ?
H49A C49 H49B 108.2 . . ?
C50 C49 H49A 109.6 . . ?
C50 C49 H49B 109.6 . . ?
C55 C50 C49 117.5(7) . . ?
C55 C50 C51 120.0 . . ?
C51 C50 C49 122.5(7) . . ?
C50 C55 H55 120.0 . . ?
C54 C55 C50 120.0 . . ?
C54 C55 H55 120.0 . . ?
C55 C54 H54 120.0 . . ?
C55 C54 C53 120.0 . . ?
C53 C54 H54 120.0 . . ?
C54 C53 H53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C52 H52 120.0 . . ?
C51 C52 C53 120.0 . . ?
C51 C52 H52 120.0 . . ?
C50 C51 H51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C57 C56 S2 119.9(10) . . ?
C57 C56 C61 118.6(12) . . ?
C61 C56 S2 121.4(9) . . ?
C56 C57 H57 120.9 . . ?
C56 C57 C58 118.2(14) . . ?
C58 C57 H57 120.9 . . ?
C57 C58 H58 117.8 . . ?
C59 C58 C57 124.4(17) . . ?
C59 C58 H58 117.8 . . ?
C58 C59 C60 118.7(17) . . ?
C58 C59 C62 123.3(18) . . ?
C60 C59 C62 118.0(17) . . ?
C59 C60 H60 120.9 . . ?
C59 C60 C61 118.4(15) . . ?
C61 C60 H60 120.8 . . ?
C56 C61 C60 121.8(12) . . ?
C56 C61 H61 119.1 . . ?
C60 C61 H61 119.1 . . ?
C59 C62 H62A 109.4 . . ?
C59 C62 H62B 109.3 . . ?
C59 C62 H62C 109.7 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
Si2 C63 H63A 110.0 . . ?
Si2 C63 H63B 108.6 . . ?
Si2 C63 H63C 110.0 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.4 . . ?
H63B C63 H63C 109.4 . . ?
Si2 C64 H64A 112.0 . . ?
Si2 C64 H64B 111.3 . . ?
Si2 C64 H64C 112.1 . . ?
H64A C64 H64B 107.0 . . ?
H64A C64 H64C 107.0 . . ?
H64B C64 H64C 107.1 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.4 . . ?
H65B C65 H65C 109.4 . . ?
C66 C65 H65A 109.7 . . ?
C66 C65 H65B 109.3 . . ?
C66 C65 H65C 109.5 . . ?
C65 C66 Si2 109.4(12) . . ?
C65 C66 C67 112.4(9) . . ?
C65 C66 C68 110.5(9) . . ?
C67 C66 Si2 108.7(12) . . ?
C67 C66 C68 110.8(9) . . ?
C68 C66 Si2 104.7(12) . . ?
C66 C67 H67A 109.3 . . ?
C66 C67 H67B 109.9 . . ?
C66 C67 H67C 109.2 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C66 C68 H68A 109.5 . . ?
C66 C68 H68B 109.7 . . ?
C66 C68 H68C 109.3 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
Si3 C69 H69A 123.9 . . ?
Si3 C69 H69B 125.0 . . ?
Si3 C69 H69C 123.9 . . ?
H69A C69 H69B 91.2 . . ?
H69A C69 H69C 91.7 . . ?
H69B C69 H69C 91.3 . . ?
Si3 C70 H70A 109.7 . . ?
Si3 C70 H70B 109.6 . . ?
Si3 C70 H70C 109.9 . . ?
H70A C70 H70B 109.2 . . ?
H70A C70 H70C 109.2 . . ?
H70B C70 H70C 109.2 . . ?
C72 C71 Si3 122.0(17) . . ?
C73 C71 Si3 95.9(9) . . ?
C73 C71 C72 107.3(8) . . ?
C74 C71 Si3 114.2(14) . . ?
C74 C71 C72 107.7(9) . . ?
C74 C71 C73 108.2(18) . . ?
C71 C72 H72A 109.9 . . ?
C71 C72 H72B 109.5 . . ?
C71 C72 H72C 109.4 . . ?
H72A C72 H72B 109.4 . . ?
H72A C72 H72C 109.3 . . ?
H72B C72 H72C 109.4 . . ?
C71 C73 H73A 110.2 . . ?
C71 C73 H73B 110.1 . . ?
C71 C73 H73C 109.9 . . ?
H73A C73 H73B 108.9 . . ?
H73A C73 H73C 108.9 . . ?
H73B C73 H73C 108.9 . . ?
C71 C74 H74A 109.5 . . ?
C71 C74 H74B 109.7 . . ?
C71 C74 H74C 109.3 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C37 C36A H36D 109.8 . . ?
C37 C36A H36E 108.2 . . ?
C37 C36A H36F 110.7 . . ?
H36D C36A H36E 109.4 . . ?
H36D C36A H36F 109.4 . . ?
H36E C36A H36F 109.5 . . ?
C37 C38A H38D 109.2 . . ?
C37 C38A H38E 108.6 . . ?
C37 C38A H38F 110.7 . . ?
H38D C38A H38E 109.4 . . ?
H38D C38A H38F 109.4 . . ?
H38E C38A H38F 109.5 . . ?
C37 C39A H39D 108.7 . . ?
C37 C39A H39E 110.6 . . ?
C37 C39A H39F 109.1 . . ?
H39D C39A H39E 109.4 . . ?
H39D C39A H39F 109.5 . . ?
H39E C39A H39F 109.5 . . ?
C32 C34A H34D 109.7 . . ?
C32 C34A H34E 109.5 . . ?
C32 C34A H34F 109.2 . . ?
H34D C34A H34E 109.5 . . ?
H34D C34A H34F 109.5 . . ?
H34E C34A H34F 109.5 . . ?
C32 C35A H35D 109.7 . . ?
C32 C35A H35E 109.4 . . ?
C32 C35A H35F 109.3 . . ?
H35D C35A H35E 109.5 . . ?
H35D C35A H35F 109.5 . . ?
H35E C35A H35F 109.5 . . ?
C32 C33A H33D 109.7 . . ?
C32 C33A H33E 109.2 . . ?
C32 C33A H33F 109.5 . . ?
H33D C33A H33E 109.5 . . ?
H33D C33A H33F 109.5 . . ?
H33E C33A H33F 109.5 . . ?
C27 C29A H29D 110.1 . . ?
C27 C29A H29E 109.5 . . ?
C27 C29A H29F 108.9 . . ?
H29D C29A H29E 109.4 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.4 . . ?
C27 C26A H26D 110.6 . . ?
C27 C26A H26E 110.2 . . ?
C27 C26A H26F 107.6 . . ?
H26D C26A H26E 109.5 . . ?
H26D C26A H26F 109.4 . . ?
H26E C26A H26F 109.5 . . ?
C27 C28A H28D 110.6 . . ?
C27 C28A H28E 110.2 . . ?
C27 C28A H28F 108.6 . . ?
H28D C28A H28E 109.1 . . ?
H28D C28A H28F 109.3 . . ?
H28E C28A H28F 109.0 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 O4 C30 O5 3.1(11) . . . . ?
Rh1 O4 C30 C27 -174.8(6) . . . . ?
Rh1 O6 C31 O7 -4.1(10) . . . . ?
Rh1 O6 C31 C32 177.3(6) . . . . ?
Rh1 O10 C2 O8 3.4(11) . . . . ?
Rh1 O10 C2 C37 -177.3(6) . . . . ?
Rh1 O11 C40 O9 0.2(10) . . . . ?
Rh1 O11 C40 C41 -178.2(7) . . . . ?
Rh1 C47 C48 N3 173.7(6) . . . . ?
Rh2 O5 C30 O4 -4.4(11) . . . . ?
Rh2 O5 C30 C27 173.5(5) . . . . ?
Rh2 O7 C31 O6 2.3(11) . . . . ?
Rh2 O7 C31 C32 -179.2(6) . . . . ?
Rh2 O8 C2 O10 -3.5(11) . . . . ?
Rh2 O8 C2 C37 177.2(6) . . . . ?
Rh2 O9 C40 O11 0.2(10) . . . . ?
Rh2 O9 C40 C41 178.6(7) . . . . ?
Rh2 C10 C11 O3 -122.0(7) . . . . ?
S1 N1 C7 C1 150.0(7) . . . . ?
S1 N1 C8 C9 90.3(8) . . . . ?
S1 C19 C20 C21 174.7(10) . . . . ?
S1 C19 C24 C23 -173.3(8) . . . . ?
S2 N3 C48 C47 -89.8(9) . . . . ?
S2 N3 C49 C50 -143.4(7) . . . . ?
S2 C56 C57 C58 -178.2(11) . . . . ?
S2 C56 C61 C60 177.1(10) . . . . ?
Si1 O3 C11 C10 -117.7(9) . . . . ?
Si2 O14 C45 C46 -99.7(14) . . . . ?
Si3 O14 C45 C46 150(2) . . . . ?
O1 S1 N1 C7 -168.1(7) . . . . ?
O1 S1 N1 C8 44.7(7) . . . . ?
O1 S1 C19 C20 151.5(9) . . . . ?
O1 S1 C19 C24 -34.2(9) . . . . ?
O2 S1 N1 C7 -38.8(8) . . . . ?
O2 S1 N1 C8 174.0(7) . . . . ?
O2 S1 C19 C20 19.3(11) . . . . ?
O2 S1 C19 C24 -166.4(8) . . . . ?
O3 Si1 C13 C15 59.5(16) . . . . ?
O3 Si1 C13 C16 -177.8(13) . . . . ?
O3 Si1 C13 C18 -54.6(14) . . . . ?
O6 C31 C32 C33 -35(3) . . . . ?
O6 C31 C32 C34 81(3) . . . . ?
O6 C31 C32 C35 -159(2) . . . . ?
O6 C31 C32 C34A 126.2(19) . . . . ?
O6 C31 C32 C35A -119(2) . . . . ?
O6 C31 C32 C33A 7(3) . . . . ?
O7 C31 C32 C33 146(2) . . . . ?
O7 C31 C32 C34 -98(3) . . . . ?
O7 C31 C32 C35 22(3) . . . . ?
O7 C31 C32 C34A -52(2) . . . . ?
O7 C31 C32 C35A 63(2) . . . . ?
O7 C31 C32 C33A -172(2) . . . . ?
O8 C2 C37 C36 -164.1(18) . . . . ?
O8 C2 C37 C38 -38(2) . . . . ?
O8 C2 C37 C39 79.7(16) . . . . ?
O8 C2 C37 C36A -102(2) . . . . ?
O8 C2 C37 C38A 14(2) . . . . ?
O8 C2 C37 C39A 138(2) . . . . ?
O9 C40 C41 C42 -6.3(14) . . . . ?
O9 C40 C41 C43 -127.0(10) . . . . ?
O9 C40 C41 C44 114.3(10) . . . . ?
O10 C2 C37 C36 17(2) . . . . ?
O10 C2 C37 C38 142.8(18) . . . . ?
O10 C2 C37 C39 -99.6(16) . . . . ?
O10 C2 C37 C36A 78(2) . . . . ?
O10 C2 C37 C38A -165(2) . . . . ?
O10 C2 C37 C39A -41(2) . . . . ?
O11 C40 C41 C42 172.2(9) . . . . ?
O11 C40 C41 C43 51.5(13) . . . . ?
O11 C40 C41 C44 -67.2(11) . . . . ?
O12 S2 N3 C48 -46.0(8) . . . . ?
O12 S2 N3 C49 164.6(7) . . . . ?
O12 S2 C56 C57 -159.5(10) . . . . ?
O12 S2 C56 C61 24.3(11) . . . . ?
O13 S2 N3 C48 -174.7(7) . . . . ?
O13 S2 N3 C49 35.9(8) . . . . ?
O13 S2 C56 C57 -27.8(12) . . . . ?
O13 S2 C56 C61 156.1(10) . . . . ?
O14 Si2 C66 C65 177.3(9) . . . . ?
O14 Si2 C66 C67 -59.6(11) . . . . ?
O14 Si2 C66 C68 58.9(10) . . . . ?
O14 Si3 C71 C72 -121.1(14) . . . . ?
O14 Si3 C71 C73 124.3(14) . . . . ?
O14 Si3 C71 C74 11.3(19) . . . . ?
O14 C45 C46 Rh1 152.3(7) . . . . ?
N1 S1 C19 C20 -95.1(9) . . . . ?
N1 S1 C19 C24 79.2(9) . . . . ?
N1 C8 C9 Rh2 -170.1(6) . . . . ?
N3 S2 C56 C57 86.7(11) . . . . ?
N3 S2 C56 C61 -89.5(10) . . . . ?
N3 C49 C50 C55 58.4(8) . . . . ?
N3 C49 C50 C51 -122.2(7) . . . . ?
C3 C4 C5 C6 4(3) . . . . ?
C4 C3 C12 C1 3.3(19) . . . . ?
C4 C5 C6 C1 -3(2) . . . . ?
C6 C1 C7 N1 118.6(10) . . . . ?
C6 C1 C12 C3 -2.1(17) . . . . ?
C7 N1 C8 C9 -58.4(10) . . . . ?
C7 C1 C6 C5 -177.5(10) . . . . ?
C7 C1 C12 C3 177.2(10) . . . . ?
C8 N1 C7 C1 -61.7(10) . . . . ?
C12 C1 C6 C5 1.8(16) . . . . ?
C12 C1 C7 N1 -60.8(11) . . . . ?
C12 C3 C4 C5 -4(2) . . . . ?
C13 Si1 O3 C11 -174.9(12) . . . . ?
C14 Si1 O3 C11 -57.1(12) . . . . ?
C14 Si1 C13 C15 -58.5(15) . . . . ?
C14 Si1 C13 C16 64.2(16) . . . . ?
C14 Si1 C13 C18 -172.7(11) . . . . ?
C17 Si1 O3 C11 64.6(12) . . . . ?
C17 Si1 C13 C15 178.0(13) . . . . ?
C17 Si1 C13 C16 -59.4(16) . . . . ?
C17 Si1 C13 C18 63.8(14) . . . . ?
C19 S1 N1 C7 77.0(7) . . . . ?
C19 S1 N1 C8 -70.2(7) . . . . ?
C19 C20 C21 C22 -4(2) . . . . ?
C20 C19 C24 C23 1.1(15) . . . . ?
C20 C21 C22 C23 5(2) . . . . ?
C20 C21 C22 C25 -177.8(12) . . . . ?
C21 C22 C23 C24 -3.8(18) . . . . ?
C22 C23 C24 C19 0.7(16) . . . . ?
C24 C19 C20 C21 0.3(18) . . . . ?
C25 C22 C23 C24 179.3(11) . . . . ?
C26 C27 C30 O4 -137.0(15) . . . . ?
C26 C27 C30 O5 44.9(16) . . . . ?
C28 C27 C30 O4 -16.9(16) . . . . ?
C28 C27 C30 O5 165.0(14) . . . . ?
C29 C27 C30 O4 103.8(14) . . . . ?
C29 C27 C30 O5 -74.2(14) . . . . ?
C48 N3 C49 C50 66.8(10) . . . . ?
C49 N3 C48 C47 60.7(11) . . . . ?
C49 C50 C55 C54 179.5(7) . . . . ?
C49 C50 C51 C52 -179.5(7) . . . . ?
C50 C55 C54 C53 0.0 . . . . ?
C55 C50 C51 C52 0.0 . . . . ?
C55 C54 C53 C52 0.0 . . . . ?
C54 C53 C52 C51 0.0 . . . . ?
C53 C52 C51 C50 0.0 . . . . ?
C51 C50 C55 C54 0.0 . . . . ?
C56 S2 N3 C48 69.0(8) . . . . ?
C56 S2 N3 C49 -80.4(8) . . . . ?
C56 C57 C58 C59 1(3) . . . . ?
C57 C56 C61 C60 0.9(19) . . . . ?
C57 C58 C59 C60 1(3) . . . . ?
C57 C58 C59 C62 179.9(16) . . . . ?
C58 C59 C60 C61 -2(2) . . . . ?
C59 C60 C61 C56 1(2) . . . . ?
C61 C56 C57 C58 -2(2) . . . . ?
C62 C59 C60 C61 178.9(14) . . . . ?
C63 Si2 O14 C45 56.6(15) . . . . ?
C63 Si2 C66 C65 -69.0(12) . . . . ?
C63 Si2 C66 C67 54.1(12) . . . . ?
C63 Si2 C66 C68 172.6(11) . . . . ?
C64 Si2 O14 C45 -53.8(17) . . . . ?
C64 Si2 C66 C65 40.8(14) . . . . ?
C64 Si2 C66 C67 163.9(13) . . . . ?
C64 Si2 C66 C68 -77.6(13) . . . . ?
C66 Si2 O14 C45 173.1(13) . . . . ?
C69 Si3 O14 C45 150(3) . . . . ?
C69 Si3 C71 C72 96.4(18) . . . . ?
C69 Si3 C71 C73 -18.3(19) . . . . ?
C69 Si3 C71 C74 -131.2(19) . . . . ?
C70 Si3 O14 C45 -109(3) . . . . ?
C70 Si3 C71 C72 -1.4(19) . . . . ?
C70 Si3 C71 C73 -116.0(18) . . . . ?
C70 Si3 C71 C74 131(2) . . . . ?
C71 Si3 O14 C45 12(3) . . . . ?
C29A C27 C30 O4 22.9(19) . . . . ?
C29A C27 C30 O5 -155.2(17) . . . . ?
C26A C27 C30 O4 154(2) . . . . ?
C26A C27 C30 O5 -24(2) . . . . ?
C28A C27 C30 O4 -90(2) . . . . ?
C28A C27 C30 O5 92(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.553
_oxdiff_exptl_absorpt_empirical_full_min 0.632
