# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_ndr-brg-gei-g
_database_code_depnum_ccdc_archive 'CCDC 1840991'
_audit_update_record             
;
2018-05-03 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_audit_creation_date             2018-05-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C17 H24 Cl Ge N O'
_chemical_formula_sum            'C17 H24 Cl Ge N O'
_chemical_formula_weight         366.41
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C21 H9 N4 O3 Ge1'
_chemical_oxdiff_usercomment     'COLOURLESS PLATE, 298K, 0.65 0.6 0.08'
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'
Ge Ge 0.1547 1.8001 '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'

_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      trigonal
_space_group_IT_number           145
_space_group_name_H-M_alt        'P 32'
_space_group_name_Hall           'P 32'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+2/3'
'-x+y, -x, z+1/3'

_cell_length_a                   12.2217(5)
_cell_length_b                   12.2217(5)
_cell_length_c                   10.6077(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1372.20(15)
_cell_formula_units_Z            3
_cell_measurement_reflns_used    1510
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.1038
_cell_measurement_theta_min      3.8425
_shelx_estimated_absorpt_T_max   0.868
_shelx_estimated_absorpt_T_min   0.384
_exptl_absorpt_coefficient_mu    1.819
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.66179
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             570
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.6
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0390
_diffrn_reflns_av_unetI/netI     0.0662
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.868
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5344
_diffrn_reflns_point_group_measured_fraction_full 0.872
_diffrn_reflns_point_group_measured_fraction_max 0.720
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.168
_diffrn_reflns_theta_min         3.850
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 15.9821
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -88.00  -60.00   1.0000   11.9900
omega____ theta____ kappa____ phi______ frames
    -      -17.4178 -178.0000  150.0000 28

#__ type_ start__ end____ width___ exp.time_
  2 omega  -73.00  -43.00   1.0000   11.9900
omega____ theta____ kappa____ phi______ frames
    -      -17.4178  -19.0000   30.0000 30

#__ type_ start__ end____ width___ exp.time_
  3 omega  -18.00   22.00   1.0000   11.9900
omega____ theta____ kappa____ phi______ frames
    -      -17.4178  -19.0000   30.0000 40

#__ type_ start__ end____ width___ exp.time_
  4 omega  -81.00   -2.00   1.0000   11.9900
omega____ theta____ kappa____ phi______ frames
    -      -17.4178  -57.0000 -180.0000 79

#__ type_ start__ end____ width___ exp.time_
  5 omega  -24.00    1.00   1.0000   11.9900
omega____ theta____ kappa____ phi______ frames
    -      -17.4178  -99.0000  -90.0000 25
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0346778000
_diffrn_orient_matrix_UB_12      0.0259034000
_diffrn_orient_matrix_UB_13      0.0281215000
_diffrn_orient_matrix_UB_21      -0.0051210000
_diffrn_orient_matrix_UB_22      -0.0332875000
_diffrn_orient_matrix_UB_23      0.0565225000
_diffrn_orient_matrix_UB_31      0.0571020000
_diffrn_orient_matrix_UB_32      0.0520713000
_diffrn_orient_matrix_UB_33      0.0220955000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.657
_reflns_Friedel_fraction_full    0.750
_reflns_Friedel_fraction_max     0.571
_reflns_number_gt                2793
_reflns_number_total             3555
_reflns_odcompleteness_completeness 99.31
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_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         0.501
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.059
_refine_ls_abs_structure_details 
;
 Flack x determined using 925 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.003(18)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3555
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.004
_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)+(0.0580P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1235
_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:
 C16(H16), C13(H13)
2.b Aromatic/amide H refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C3(H3)
2.c Idealised Me refined as rotating group:
 C18(H18A,H18B,H18C), C1(H1A,H1B,H1C), C5(H5A,H5B,H5C), C14(H14A,H14B,H14C),
 C17(H17A,H17B,H17C), C15(H15A,H15B,H15C)
;
_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
Ge1 Ge 0.16992(7) 0.78382(6) 0.19749(8) 0.0598(3) Uani 1 1 d . . . . .
Cl1 Cl 0.0708(3) 0.7881(2) 0.0141(2) 0.0848(8) Uani 1 1 d . . . . .
O1 O 0.1696(5) 0.9272(5) 0.2670(5) 0.0609(14) Uani 1 1 d . . . . .
N1 N 0.0100(4) 0.6692(4) 0.2917(5) 0.0357(11) Uani 1 1 d . . . . .
C7 C -0.0053(5) 0.5472(5) 0.3238(6) 0.0340(12) Uani 1 1 d . . . . .
C12 C 0.0445(6) 0.5358(6) 0.4391(6) 0.0425(14) Uani 1 1 d . . . . .
C2 C 0.0684(7) 0.9313(6) 0.2998(7) 0.0506(16) Uani 1 1 d . . . . .
C18 C -0.0396(10) 0.4513(10) 0.0033(9) 0.084(3) Uani 1 1 d . . . . .
H18A H 0.048423 0.511232 0.015229 0.125 Uiso 1 1 calc GR . . . .
H18B H -0.068148 0.469965 -0.073807 0.125 Uiso 1 1 calc GR . . . .
H18C H -0.051390 0.367621 -0.001094 0.125 Uiso 1 1 calc GR . . . .
C9 C -0.0698(8) 0.3334(6) 0.2712(8) 0.0595(19) Uani 1 1 d . . . . .
H9 H -0.107635 0.265129 0.216205 0.071 Uiso 1 1 calc R . . . .
C1 C 0.0929(10) 1.0627(7) 0.3229(9) 0.077(3) Uani 1 1 d . . . . .
H1A H 0.157041 1.102530 0.386319 0.115 Uiso 1 1 calc GR . . . .
H1B H 0.016579 1.059157 0.351099 0.115 Uiso 1 1 calc GR . . . .
H1C H 0.120890 1.110522 0.246185 0.115 Uiso 1 1 calc GR . . . .
C5 C -0.1931(7) 0.6078(7) 0.3887(8) 0.061(2) Uani 1 1 d . . . . .
H5A H -0.230482 0.530746 0.340944 0.092 Uiso 1 1 calc GR . . . .
H5B H -0.250129 0.640356 0.391152 0.092 Uiso 1 1 calc GR . . . .
H5C H -0.176646 0.591352 0.473037 0.092 Uiso 1 1 calc GR . . . .
C4 C -0.0707(6) 0.7035(6) 0.3274(6) 0.0377(13) Uani 1 1 d . . . . .
C16 C -0.1148(7) 0.4594(7) 0.1129(6) 0.0497(16) Uani 1 1 d . . . . .
H16 H -0.104526 0.544237 0.111077 0.060 Uiso 1 1 calc R . . . .
C8 C -0.0626(6) 0.4464(6) 0.2370(6) 0.0425(15) Uani 1 1 d . . . . .
C14 C 0.2497(9) 0.6901(11) 0.5400(11) 0.099(4) Uani 1 1 d . . . . .
H14A H 0.262931 0.626179 0.577605 0.149 Uiso 1 1 calc GR . . . .
H14B H 0.289935 0.765297 0.590576 0.149 Uiso 1 1 calc GR . . . .
H14C H 0.285287 0.708640 0.456783 0.149 Uiso 1 1 calc GR . . . .
C10 C -0.0227(9) 0.3193(7) 0.3842(8) 0.064(2) Uani 1 1 d . . . . .
H10 H -0.029041 0.242453 0.404948 0.077 Uiso 1 1 calc R . . . .
C11 C 0.0336(7) 0.4195(7) 0.4660(7) 0.0541(18) Uani 1 1 d . . . . .
H11 H 0.065562 0.409250 0.541874 0.065 Uiso 1 1 calc R . . . .
C3 C -0.0458(7) 0.8285(7) 0.3174(6) 0.0459(15) Uani 1 1 d . . . . .
H3 H -0.114436 0.841350 0.323612 0.055 Uiso 1 1 calc R . . . .
C13 C 0.1078(7) 0.6426(7) 0.5323(6) 0.0540(17) Uani 1 1 d . . . . .
H13 H 0.098014 0.712571 0.500524 0.065 Uiso 1 1 calc R . . . .
C17 C -0.2558(9) 0.3657(10) 0.0992(9) 0.095(4) Uani 1 1 d . . . . .
H17A H -0.286326 0.382823 0.022569 0.142 Uiso 1 1 calc GR . . . .
H17B H -0.300363 0.373937 0.169674 0.142 Uiso 1 1 calc GR . . . .
H17C H -0.269366 0.281244 0.096559 0.142 Uiso 1 1 calc GR . . . .
C15 C 0.0477(12) 0.6088(11) 0.6636(9) 0.098(3) Uani 1 1 d . . . . .
H15A H -0.042373 0.570120 0.655939 0.146 Uiso 1 1 calc GR . . . .
H15B H 0.079480 0.684178 0.713477 0.146 Uiso 1 1 calc GR . . . .
H15C H 0.068365 0.551004 0.703553 0.146 Uiso 1 1 calc GR . . . .


_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
Ge1 Cl1 2.306(3) . ?
Ge1 O1 1.902(5) . ?
Ge1 N1 2.011(5) . ?
O1 C2 1.311(8) . ?
N1 C7 1.448(7) . ?
N1 C4 1.306(7) . ?
C7 C12 1.404(9) . ?
C7 C8 1.411(9) . ?
C12 C11 1.389(9) . ?
C12 C13 1.506(9) . ?
C2 C1 1.499(10) . ?
C2 C3 1.344(10) . ?
C18 C16 1.517(12) . ?
C9 C8 1.387(10) . ?
C9 C10 1.377(11) . ?
C5 C4 1.510(9) . ?
C4 C3 1.404(9) . ?
C16 C8 1.506(10) . ?
C16 C17 1.526(11) . ?
C14 C13 1.532(12) . ?
C10 C11 1.372(11) . ?
C13 C15 1.532(12) . ?

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 Ge1 Cl1 93.61(18) . . ?
O1 Ge1 N1 90.0(2) . . ?
N1 Ge1 Cl1 95.52(16) . . ?
C2 O1 Ge1 125.1(4) . . ?
C7 N1 Ge1 114.5(3) . . ?
C4 N1 Ge1 123.2(4) . . ?
C4 N1 C7 122.2(5) . . ?
C12 C7 N1 117.9(5) . . ?
C12 C7 C8 122.2(5) . . ?
C8 C7 N1 119.8(5) . . ?
C7 C12 C13 123.1(6) . . ?
C11 C12 C7 117.1(6) . . ?
C11 C12 C13 119.8(6) . . ?
O1 C2 C1 113.5(7) . . ?
O1 C2 C3 124.0(6) . . ?
C3 C2 C1 122.5(7) . . ?
C10 C9 C8 122.0(7) . . ?
N1 C4 C5 119.4(6) . . ?
N1 C4 C3 122.6(6) . . ?
C3 C4 C5 117.9(6) . . ?
C18 C16 C17 111.8(8) . . ?
C8 C16 C18 111.2(7) . . ?
C8 C16 C17 112.6(6) . . ?
C7 C8 C16 122.0(6) . . ?
C9 C8 C7 117.1(6) . . ?
C9 C8 C16 120.9(6) . . ?
C11 C10 C9 119.6(6) . . ?
C10 C11 C12 122.1(6) . . ?
C2 C3 C4 125.9(6) . . ?
C12 C13 C14 110.9(7) . . ?
C12 C13 C15 113.2(7) . . ?
C15 C13 C14 110.7(8) . . ?

_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_ndr-brg-ir-1-s
_database_code_depnum_ccdc_archive 'CCDC 1840993'
_audit_update_record             
;
2018-05-02 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_audit_creation_date             2018-05-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C33 H57 Cl2 Ge Ir N2 O Si2'
_chemical_formula_sum            'C33 H57 Cl2 Ge Ir N2 O Si2'
_chemical_formula_weight         889.67
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C56 H44 Ir1 N4 O20'
_chemical_oxdiff_usercomment     'RED COLOUR PLATE, 230K, 0.75 0.75 0.06'
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'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -1.4442 7.9887 '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'
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/a 1'
_space_group_name_Hall           '-P 2yab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x-1/2, -y-1/2, z'

_cell_length_a                   17.1906(13)
_cell_length_b                   11.1401(7)
_cell_length_c                   24.7705(17)
_cell_angle_alpha                90
_cell_angle_beta                 107.867(8)
_cell_angle_gamma                90
_cell_volume                     4514.9(6)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    8002
_cell_measurement_temperature    150
_cell_measurement_theta_max      29.2029
_cell_measurement_theta_min      3.8579
_shelx_estimated_absorpt_T_max   0.726
_shelx_estimated_absorpt_T_min   0.209
_exptl_absorpt_coefficient_mu    3.805
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
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_modifier   .
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.57
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0645
_diffrn_reflns_av_unetI/netI     0.0792
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.849
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            25379
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.849
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.258
_diffrn_reflns_theta_min         3.864
_diffrn_ambient_temperature      150
_diffrn_detector_area_resol_mean 15.9821
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.849
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -22.00   50.00   1.0000    9.6600
omega____ theta____ kappa____ phi______ frames
    -      -17.8085   57.0000  120.0000 72

#__ type_ start__ end____ width___ exp.time_
  2 omega  -86.00  -22.00   1.0000    9.6600
omega____ theta____ kappa____ phi______ frames
    -      -17.8085  -57.0000  -30.0000 64

#__ type_ start__ end____ width___ exp.time_
  3 omega  -64.00   -6.00   1.0000    9.6600
omega____ theta____ kappa____ phi______ frames
    -      -17.8085  -37.0000    0.0000 58

#__ type_ start__ end____ width___ exp.time_
  4 omega  -24.00    3.00   1.0000    9.6600
omega____ theta____ kappa____ phi______ frames
    -      -17.8085  -99.0000  -60.0000 27

#__ type_ start__ end____ width___ exp.time_
  5 omega  -37.00  -10.00   1.0000    9.6600
omega____ theta____ kappa____ phi______ frames
    -      -17.8085  109.0000 -141.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega  -33.00   -6.00   1.0000    9.6600
omega____ theta____ kappa____ phi______ frames
    -      -17.8085  -77.0000 -180.0000 27

#__ type_ start__ end____ width___ exp.time_
  7 omega  -11.00   24.00   1.0000    9.6600
omega____ theta____ kappa____ phi______ frames
    -      -17.8085  -99.0000  -30.0000 35
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0287863000
_diffrn_orient_matrix_UB_12      0.0151898000
_diffrn_orient_matrix_UB_13      -0.0141383000
_diffrn_orient_matrix_UB_21      0.0322085000
_diffrn_orient_matrix_UB_22      -0.0061427000
_diffrn_orient_matrix_UB_23      0.0258498000
_diffrn_orient_matrix_UB_31      0.0037915000
_diffrn_orient_matrix_UB_32      -0.0615635000
_diffrn_orient_matrix_UB_33      -0.0061030000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8298
_reflns_number_total             10442
_reflns_odcompleteness_completeness 98.90
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_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         4.159
_refine_diff_density_min         -4.790
_refine_diff_density_rms         0.283
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         10442
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0935
_refine_ls_R_factor_gt           0.0759
_refine_ls_restrained_S_all      1.027
_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)+(0.1542P)²+16.6901P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2126
_refine_ls_wR_factor_ref         0.2330
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C3(H3), C4(H4)
2.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C15(H15), C9(H9), C11(H11), C10(H10)
2.d Idealised Me refined as rotating group:
 C31(H31A,H31B,H31C), C24(H24A,H24B,H24C), C2(H2A,H2B,H2C), C26(H26A,H26B,
 H26C), C29(H29A,H29B,H29C), C23(H23A,H23B,H23C), C33(H33A,H33B,H33C), C1(H1A,
 H1B,H1C), C32(H32A,H32B,H32C), C27(H27A,H27B,H27C), C30(H30A,H30B,H30C),
 C13(H13A,H13B,H13C), C28(H28A,H28B,H28C), C6(H6A,H6B,H6C), C25(H25A,H25B,H25C),
  C5(H5A,H5B,H5C)
;
_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
Ir1 Ir 0.34343(2) 0.08016(3) 0.38188(2) 0.02252(14) Uani 1 1 d . . . . .
Si2 Si 0.11036(16) -0.1440(3) 0.29181(13) 0.0420(7) Uani 1 1 d . . . . .
Si1 Si 0.23771(18) -0.2604(2) 0.24582(13) 0.0405(6) Uani 1 1 d . . . . .
N1 N 0.3896(5) 0.0823(6) 0.1775(4) 0.0318(17) Uani 1 1 d . . . . .
H1 H 0.349911 0.048946 0.187768 0.038 Uiso 1 1 calc R . . . .
C17 C 0.4319(5) -0.0184(7) 0.3543(4) 0.0284(17) Uani 1 1 d . . . . .
H17A H 0.487865 0.007186 0.376136 0.034 Uiso 1 1 calc R . . . .
H17B H 0.426729 -0.105408 0.360644 0.034 Uiso 1 1 calc R . . . .
N2 N 0.2022(4) -0.1420(6) 0.2758(3) 0.0302(15) Uani 1 1 d . . . . .
C31 C 0.0941(7) 0.0033(11) 0.3253(6) 0.062(3) Uani 1 1 d . . . . .
H31A H 0.137456 0.014185 0.361395 0.092 Uiso 1 1 calc GR . . . .
H31B H 0.040897 0.002047 0.332102 0.092 Uiso 1 1 calc GR . . . .
H31C H 0.095625 0.069708 0.299696 0.092 Uiso 1 1 calc GR . . . .
Cl1 Cl 0.19008(15) 0.1215(2) 0.22406(11) 0.0434(6) Uani 1 1 d . . . . .
C15 C 0.4746(5) 0.0577(8) 0.2731(4) 0.0298(18) Uani 1 1 d . . . . .
H15 H 0.527871 0.069091 0.298784 0.036 Uiso 1 1 calc R . . . .
C3 C 0.4355(8) -0.0768(10) 0.1013(6) 0.054(3) Uani 1 1 d . . . . .
H3 H 0.453413 -0.077639 0.143676 0.065 Uiso 1 1 calc R . . . .
C24 C 0.5190(6) 0.2321(9) 0.4243(5) 0.042(2) Uani 1 1 d . . . . .
H24A H 0.550564 0.187719 0.458038 0.063 Uiso 1 1 calc GR . . . .
H24B H 0.536908 0.316061 0.427543 0.063 Uiso 1 1 calc GR . . . .
H24C H 0.527807 0.196239 0.390477 0.063 Uiso 1 1 calc GR . . . .
C8 C 0.3931(6) 0.0426(11) 0.0815(4) 0.043(2) Uani 1 1 d . . . . .
C9 C 0.3732(10) 0.0761(12) 0.0264(6) 0.063(4) Uani 1 1 d . . . . .
H9 H 0.386972 0.024899 0.000072 0.076 Uiso 1 1 calc R . . . .
C16 C 0.4174(5) 0.0047(7) 0.2945(4) 0.0287(17) Uani 1 1 d . . . . .
C2 C 0.5124(10) -0.0901(16) 0.0819(8) 0.088(6) Uani 1 1 d . . . . .
H2A H 0.497641 -0.077239 0.040849 0.133 Uiso 1 1 calc GR . . . .
H2B H 0.535126 -0.170927 0.091087 0.133 Uiso 1 1 calc GR . . . .
H2C H 0.553336 -0.030530 0.101486 0.133 Uiso 1 1 calc GR . . . .
C26 C 0.2512(7) 0.1798(11) 0.4728(5) 0.053(3) Uani 1 1 d . . . . .
H26A H 0.195788 0.170002 0.446645 0.079 Uiso 1 1 calc GR . . . .
H26B H 0.252257 0.247152 0.498403 0.079 Uiso 1 1 calc GR . . . .
H26C H 0.267779 0.106116 0.494948 0.079 Uiso 1 1 calc GR . . . .
C7 C 0.3713(5) 0.1174(10) 0.1194(4) 0.037(2) Uani 1 1 d . . . . .
C18 C 0.4298(6) 0.2265(7) 0.4192(4) 0.034(2) Uani 1 1 d . . . . .
C29 C 0.1738(9) -0.4005(11) 0.2417(7) 0.063(4) Uani 1 1 d . . . . .
H29A H 0.148767 -0.399437 0.272312 0.095 Uiso 1 1 calc GR . . . .
H29B H 0.208640 -0.471595 0.245603 0.095 Uiso 1 1 calc GR . . . .
H29C H 0.130792 -0.402970 0.204998 0.095 Uiso 1 1 calc GR . . . .
C23 C 0.3743(7) 0.3290(8) 0.3204(5) 0.045(2) Uani 1 1 d . . . . .
H23A H 0.421978 0.295459 0.311923 0.068 Uiso 1 1 calc GR . . . .
H23B H 0.382190 0.415394 0.327408 0.068 Uiso 1 1 calc GR . . . .
H23C H 0.325238 0.315425 0.288125 0.068 Uiso 1 1 calc GR . . . .
C33 C 0.1071(9) -0.2652(12) 0.3435(6) 0.072(4) Uani 1 1 d . . . . .
H33A H 0.083712 -0.338220 0.322814 0.108 Uiso 1 1 calc GR . . . .
H33B H 0.073335 -0.238902 0.366777 0.108 Uiso 1 1 calc GR . . . .
H33C H 0.162718 -0.281912 0.368086 0.108 Uiso 1 1 calc GR . . . .
C14 C 0.4616(6) 0.0958(8) 0.2177(4) 0.0302(18) Uani 1 1 d . . . . .
C1 C 0.3771(10) -0.1869(14) 0.0797(8) 0.080(4) Uani 1 1 d . . . . .
H1A H 0.326504 -0.174963 0.089375 0.120 Uiso 1 1 calc GR . . . .
H1B H 0.404162 -0.260437 0.097841 0.120 Uiso 1 1 calc GR . . . .
H1C H 0.364323 -0.194042 0.038467 0.120 Uiso 1 1 calc GR . . . .
C12 C 0.3306(7) 0.2276(10) 0.1025(5) 0.048(3) Uani 1 1 d . . . . .
C32 C 0.0236(8) -0.1638(17) 0.2246(7) 0.084(5) Uani 1 1 d . . . . .
H32A H 0.020431 -0.093739 0.200076 0.125 Uiso 1 1 calc GR . . . .
H32B H -0.027781 -0.171898 0.233678 0.125 Uiso 1 1 calc GR . . . .
H32C H 0.032738 -0.236173 0.204845 0.125 Uiso 1 1 calc GR . . . .
Ge1 Ge 0.26135(5) -0.00031(7) 0.29440(4) 0.0242(2) Uani 1 1 d . . . . .
Cl2 Cl 0.31846(16) -0.1006(2) 0.42731(11) 0.0381(5) Uani 1 1 d . . . . .
O1 O 0.3443(3) -0.0228(5) 0.2580(2) 0.0260(12) Uani 1 1 d . . . . .
C19 C 0.3965(5) 0.1843(8) 0.4612(4) 0.0293(18) Uani 1 1 d . . . . .
C22 C 0.3645(6) 0.2688(7) 0.3721(4) 0.033(2) Uani 1 1 d . . . . .
C20 C 0.3082(5) 0.2039(8) 0.4401(4) 0.0327(19) Uani 1 1 d . . . . .
C11 C 0.3122(9) 0.2596(13) 0.0449(6) 0.067(4) Uani 1 1 d . . . . .
H11 H 0.285447 0.333585 0.032105 0.080 Uiso 1 1 calc R . . . .
C21 C 0.2888(6) 0.2593(7) 0.3859(4) 0.034(2) Uani 1 1 d . . . . .
C27 C 0.2084(6) 0.3063(10) 0.3525(5) 0.049(3) Uani 1 1 d . . . . .
H27A H 0.197025 0.282857 0.312734 0.074 Uiso 1 1 calc GR . . . .
H27B H 0.208553 0.393996 0.355410 0.074 Uiso 1 1 calc GR . . . .
H27C H 0.166149 0.273194 0.367309 0.074 Uiso 1 1 calc GR . . . .
C30 C 0.3429(8) -0.3058(10) 0.2862(7) 0.068(4) Uani 1 1 d . . . . .
H30A H 0.381514 -0.269759 0.268836 0.102 Uiso 1 1 calc GR . . . .
H30B H 0.347437 -0.393412 0.285555 0.102 Uiso 1 1 calc GR . . . .
H30C H 0.355535 -0.278164 0.325476 0.102 Uiso 1 1 calc GR . . . .
C4 C 0.3054(9) 0.3096(11) 0.1438(6) 0.060(3) Uani 1 1 d . . . . .
H4 H 0.312970 0.263840 0.179809 0.073 Uiso 1 1 calc R . . . .
C13 C 0.5284(6) 0.1605(10) 0.2023(5) 0.046(2) Uani 1 1 d . . . . .
H13A H 0.529736 0.133265 0.164958 0.069 Uiso 1 1 calc GR . . . .
H13B H 0.581020 0.143359 0.230704 0.069 Uiso 1 1 calc GR . . . .
H13C H 0.517948 0.247090 0.201086 0.069 Uiso 1 1 calc GR . . . .
C10 C 0.3321(9) 0.1860(15) 0.0072(5) 0.073(4) Uani 1 1 d . . . . .
H10 H 0.318715 0.208051 -0.031658 0.088 Uiso 1 1 calc R . . . .
C28 C 0.2331(12) -0.2264(13) 0.1716(7) 0.083(5) Uani 1 1 d . . . . .
H28A H 0.182976 -0.260442 0.145612 0.124 Uiso 1 1 calc GR . . . .
H28B H 0.280693 -0.261525 0.163634 0.124 Uiso 1 1 calc GR . . . .
H28C H 0.233205 -0.139205 0.166324 0.124 Uiso 1 1 calc GR . . . .
C6 C 0.2156(10) 0.3463(17) 0.1210(8) 0.096(6) Uani 1 1 d . . . . .
H6A H 0.209848 0.412804 0.094140 0.144 Uiso 1 1 calc GR . . . .
H6B H 0.196222 0.371687 0.152484 0.144 Uiso 1 1 calc GR . . . .
H6C H 0.183068 0.277762 0.101577 0.144 Uiso 1 1 calc GR . . . .
C25 C 0.4405(7) 0.1316(10) 0.5164(4) 0.042(2) Uani 1 1 d . . . . .
H25A H 0.417485 0.052530 0.519847 0.063 Uiso 1 1 calc GR . . . .
H25B H 0.434994 0.184071 0.546824 0.063 Uiso 1 1 calc GR . . . .
H25C H 0.498455 0.123053 0.519547 0.063 Uiso 1 1 calc GR . . . .
C5 C 0.3637(15) 0.4162(18) 0.1573(12) 0.124(9) Uani 1 1 d . . . . .
H5A H 0.418571 0.388665 0.178890 0.185 Uiso 1 1 calc GR . . . .
H5B H 0.344602 0.475113 0.179732 0.185 Uiso 1 1 calc GR . . . .
H5C H 0.365472 0.453451 0.121814 0.185 Uiso 1 1 calc GR . . . .


_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
Ir1 C17 2.151(7) . ?
Ir1 C18 2.208(9) . ?
Ir1 Ge1 2.3695(9) . ?
Ir1 Cl2 2.409(2) . ?
Ir1 C19 2.223(8) . ?
Ir1 C22 2.159(8) . ?
Ir1 C20 2.209(8) . ?
Ir1 C21 2.220(8) . ?
Si2 N2 1.742(7) . ?
Si2 C31 1.898(12) . ?
Si2 C33 1.874(13) . ?
Si2 C32 1.877(14) . ?
Si1 N2 1.715(8) . ?
Si1 C29 1.893(12) . ?
Si1 C30 1.848(14) . ?
Si1 C28 1.855(15) . ?
N1 H1 0.8800 . ?
N1 C7 1.431(12) . ?
N1 C14 1.338(12) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C17 C16 1.446(12) . ?
N2 Ge1 1.857(7) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
Cl1 Ge1 2.251(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.385(12) . ?
C15 C14 1.387(13) . ?
C3 H3 1.0000 . ?
C3 C8 1.523(16) . ?
C3 C2 1.546(19) . ?
C3 C1 1.571(19) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C24 C18 1.501(12) . ?
C8 C9 1.354(16) . ?
C8 C7 1.388(15) . ?
C9 H9 0.9500 . ?
C9 C10 1.421(19) . ?
C16 O1 1.340(10) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C26 C20 1.475(12) . ?
C7 C12 1.412(16) . ?
C18 C19 1.413(13) . ?
C18 C22 1.429(14) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C22 1.500(13) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C14 C13 1.500(12) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C12 C11 1.409(16) . ?
C12 C4 1.531(16) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
Ge1 O1 1.923(5) . ?
C19 C20 1.461(12) . ?
C19 C25 1.467(13) . ?
C22 C21 1.447(13) . ?
C20 C21 1.421(13) . ?
C11 H11 0.9500 . ?
C11 C10 1.363(19) . ?
C21 C27 1.471(13) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C4 H4 1.0000 . ?
C4 C6 1.53(2) . ?
C4 C5 1.52(2) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C10 H10 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?

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
C17 Ir1 C18 93.4(3) . . ?
C17 Ir1 Ge1 78.3(2) . . ?
C17 Ir1 Cl2 88.1(2) . . ?
C17 Ir1 C19 114.2(3) . . ?
C17 Ir1 C22 107.6(3) . . ?
C17 Ir1 C20 152.6(3) . . ?
C17 Ir1 C21 145.4(3) . . ?
C18 Ir1 Ge1 142.9(3) . . ?
C18 Ir1 Cl2 127.9(3) . . ?
C18 Ir1 C19 37.2(3) . . ?
C18 Ir1 C20 63.2(3) . . ?
C18 Ir1 C21 63.7(3) . . ?
Ge1 Ir1 Cl2 88.25(7) . . ?
C19 Ir1 Ge1 166.8(2) . . ?
C19 Ir1 Cl2 96.1(2) . . ?
C22 Ir1 C18 38.2(4) . . ?
C22 Ir1 Ge1 109.8(3) . . ?
C22 Ir1 Cl2 157.9(3) . . ?
C22 Ir1 C19 63.5(4) . . ?
C22 Ir1 C20 63.5(4) . . ?
C22 Ir1 C21 38.5(3) . . ?
C20 Ir1 Ge1 128.9(2) . . ?
C20 Ir1 Cl2 95.4(3) . . ?
C20 Ir1 C19 38.5(3) . . ?
C20 Ir1 C21 37.4(4) . . ?
C21 Ir1 Ge1 103.8(2) . . ?
C21 Ir1 Cl2 126.3(3) . . ?
C21 Ir1 C19 63.6(3) . . ?
N2 Si2 C31 110.7(4) . . ?
N2 Si2 C33 112.6(6) . . ?
N2 Si2 C32 109.2(5) . . ?
C33 Si2 C31 106.6(6) . . ?
C33 Si2 C32 109.9(8) . . ?
C32 Si2 C31 107.8(7) . . ?
N2 Si1 C29 112.3(5) . . ?
N2 Si1 C30 113.3(5) . . ?
N2 Si1 C28 111.0(6) . . ?
C30 Si1 C29 105.0(6) . . ?
C30 Si1 C28 109.2(8) . . ?
C28 Si1 C29 105.5(7) . . ?
C7 N1 H1 117.1 . . ?
C14 N1 H1 117.1 . . ?
C14 N1 C7 125.9(8) . . ?
Ir1 C17 H17A 110.0 . . ?
Ir1 C17 H17B 110.0 . . ?
H17A C17 H17B 108.4 . . ?
C16 C17 Ir1 108.5(5) . . ?
C16 C17 H17A 110.0 . . ?
C16 C17 H17B 110.0 . . ?
Si2 N2 Ge1 114.8(4) . . ?
Si1 N2 Si2 123.8(4) . . ?
Si1 N2 Ge1 121.4(4) . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C16 C15 H15 116.8 . . ?
C16 C15 C14 126.3(8) . . ?
C14 C15 H15 116.8 . . ?
C8 C3 H3 107.9 . . ?
C8 C3 C2 110.8(11) . . ?
C8 C3 C1 112.4(12) . . ?
C2 C3 H3 107.9 . . ?
C2 C3 C1 109.7(12) . . ?
C1 C3 H3 107.9 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C18 C24 H24A 109.5 . . ?
C18 C24 H24B 109.5 . . ?
C18 C24 H24C 109.5 . . ?
C9 C8 C3 120.8(11) . . ?
C9 C8 C7 118.6(11) . . ?
C7 C8 C3 120.6(10) . . ?
C8 C9 H9 119.3 . . ?
C8 C9 C10 121.5(12) . . ?
C10 C9 H9 119.3 . . ?
C15 C16 C17 123.3(8) . . ?
O1 C16 C17 118.8(7) . . ?
O1 C16 C15 117.9(8) . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
C20 C26 H26C 109.5 . . ?
C8 C7 N1 119.6(9) . . ?
C8 C7 C12 122.2(9) . . ?
C12 C7 N1 118.2(9) . . ?
C24 C18 Ir1 127.2(6) . . ?
C19 C18 Ir1 72.0(5) . . ?
C19 C18 C24 126.0(9) . . ?
C19 C18 C22 108.4(8) . . ?
C22 C18 Ir1 69.0(5) . . ?
C22 C18 C24 125.5(9) . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
N1 C14 C15 122.2(8) . . ?
N1 C14 C13 118.0(9) . . ?
C15 C14 C13 119.7(8) . . ?
C3 C1 H1A 109.5 . . ?
C3 C1 H1B 109.5 . . ?
C3 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C7 C12 C4 122.4(9) . . ?
C11 C12 C7 117.2(11) . . ?
C11 C12 C4 120.4(11) . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
N2 Ge1 Ir1 132.5(2) . . ?
N2 Ge1 Cl1 101.1(3) . . ?
N2 Ge1 O1 101.6(3) . . ?
Cl1 Ge1 Ir1 120.66(8) . . ?
O1 Ge1 Ir1 99.14(17) . . ?
O1 Ge1 Cl1 91.23(19) . . ?
C16 O1 Ge1 109.3(5) . . ?
C18 C19 Ir1 70.8(5) . . ?
C18 C19 C20 107.3(8) . . ?
C18 C19 C25 127.5(9) . . ?
C20 C19 Ir1 70.2(5) . . ?
C20 C19 C25 125.2(8) . . ?
C25 C19 Ir1 124.7(6) . . ?
C18 C22 Ir1 72.8(5) . . ?
C18 C22 C23 125.4(9) . . ?
C18 C22 C21 108.8(8) . . ?
C23 C22 Ir1 126.7(7) . . ?
C21 C22 Ir1 73.0(4) . . ?
C21 C22 C23 125.4(9) . . ?
C26 C20 Ir1 127.3(7) . . ?
C19 C20 Ir1 71.3(4) . . ?
C19 C20 C26 124.5(9) . . ?
C21 C20 Ir1 71.7(5) . . ?
C21 C20 C26 126.5(9) . . ?
C21 C20 C19 108.7(8) . . ?
C12 C11 H11 119.5 . . ?
C10 C11 C12 121.1(13) . . ?
C10 C11 H11 119.5 . . ?
C22 C21 Ir1 68.4(4) . . ?
C22 C21 C27 126.8(10) . . ?
C20 C21 Ir1 70.9(5) . . ?
C20 C21 C22 106.7(8) . . ?
C20 C21 C27 126.3(9) . . ?
C27 C21 Ir1 129.2(7) . . ?
C21 C27 H27A 109.5 . . ?
C21 C27 H27B 109.5 . . ?
C21 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C12 C4 H4 107.8 . . ?
C6 C4 C12 111.8(12) . . ?
C6 C4 H4 107.8 . . ?
C5 C4 C12 108.0(13) . . ?
C5 C4 H4 107.8 . . ?
C5 C4 C6 113.3(14) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C10 H10 120.3 . . ?
C11 C10 C9 119.4(12) . . ?
C11 C10 H10 120.3 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C19 C25 H25A 109.5 . . ?
C19 C25 H25B 109.5 . . ?
C19 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 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
Ir1 C17 C16 C15 119.0(8) . . . . ?
Ir1 C17 C16 O1 -58.8(8) . . . . ?
Ir1 C18 C19 C20 -61.1(6) . . . . ?
Ir1 C18 C19 C25 119.6(9) . . . . ?
Ir1 C18 C22 C23 -123.1(9) . . . . ?
Ir1 C18 C22 C21 64.7(6) . . . . ?
Ir1 C19 C20 C26 122.9(10) . . . . ?
Ir1 C19 C20 C21 -62.3(6) . . . . ?
Ir1 C22 C21 C20 60.9(6) . . . . ?
Ir1 C22 C21 C27 -123.6(9) . . . . ?
Ir1 C20 C21 C22 -59.3(6) . . . . ?
Ir1 C20 C21 C27 125.1(10) . . . . ?
Si2 N2 Ge1 Ir1 76.1(5) . . . . ?
Si2 N2 Ge1 Cl1 -76.2(4) . . . . ?
Si2 N2 Ge1 O1 -169.8(4) . . . . ?
Si1 N2 Ge1 Ir1 -103.2(5) . . . . ?
Si1 N2 Ge1 Cl1 104.5(5) . . . . ?
Si1 N2 Ge1 O1 10.9(5) . . . . ?
N1 C7 C12 C11 -179.2(10) . . . . ?
N1 C7 C12 C4 -0.3(15) . . . . ?
C17 C16 O1 Ge1 32.7(8) . . . . ?
C31 Si2 N2 Si1 179.2(7) . . . . ?
C31 Si2 N2 Ge1 -0.1(7) . . . . ?
C15 C16 O1 Ge1 -145.2(6) . . . . ?
C3 C8 C9 C10 178.7(13) . . . . ?
C3 C8 C7 N1 0.7(15) . . . . ?
C3 C8 C7 C12 -178.8(10) . . . . ?
C24 C18 C19 Ir1 -123.3(8) . . . . ?
C24 C18 C19 C20 175.6(8) . . . . ?
C24 C18 C19 C25 -3.7(14) . . . . ?
C24 C18 C22 Ir1 121.4(8) . . . . ?
C24 C18 C22 C23 -1.7(14) . . . . ?
C24 C18 C22 C21 -173.9(8) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C8 C7 C12 C11 0.4(16) . . . . ?
C8 C7 C12 C4 179.2(11) . . . . ?
C9 C8 C7 N1 178.2(11) . . . . ?
C9 C8 C7 C12 -1.3(17) . . . . ?
C16 C15 C14 N1 -1.3(14) . . . . ?
C16 C15 C14 C13 175.3(9) . . . . ?
C2 C3 C8 C9 52.2(17) . . . . ?
C2 C3 C8 C7 -130.3(13) . . . . ?
C26 C20 C21 Ir1 -123.3(10) . . . . ?
C26 C20 C21 C22 177.4(9) . . . . ?
C26 C20 C21 C27 1.8(16) . . . . ?
C7 N1 C14 C15 -179.0(9) . . . . ?
C7 N1 C14 C13 4.3(14) . . . . ?
C7 C8 C9 C10 1(2) . . . . ?
C7 C12 C11 C10 0.7(19) . . . . ?
C7 C12 C4 C6 -129.1(13) . . . . ?
C7 C12 C4 C5 105.6(15) . . . . ?
C18 C19 C20 Ir1 61.5(6) . . . . ?
C18 C19 C20 C26 -175.6(9) . . . . ?
C18 C19 C20 C21 -0.8(10) . . . . ?
C18 C22 C21 Ir1 -64.5(5) . . . . ?
C18 C22 C21 C20 -3.6(9) . . . . ?
C18 C22 C21 C27 171.9(9) . . . . ?
C29 Si1 N2 Si2 -8.0(9) . . . . ?
C29 Si1 N2 Ge1 171.2(7) . . . . ?
C23 C22 C21 Ir1 123.3(9) . . . . ?
C23 C22 C21 C20 -175.8(8) . . . . ?
C23 C22 C21 C27 -0.3(15) . . . . ?
C33 Si2 N2 Si1 60.0(8) . . . . ?
C33 Si2 N2 Ge1 -119.3(6) . . . . ?
C14 N1 C7 C8 81.8(12) . . . . ?
C14 N1 C7 C12 -98.6(11) . . . . ?
C14 C15 C16 C17 -171.5(8) . . . . ?
C14 C15 C16 O1 6.3(13) . . . . ?
C1 C3 C8 C9 -70.9(16) . . . . ?
C1 C3 C8 C7 106.6(13) . . . . ?
C12 C11 C10 C9 -1(2) . . . . ?
C32 Si2 N2 Si1 -62.3(9) . . . . ?
C32 Si2 N2 Ge1 118.4(7) . . . . ?
C19 C18 C22 Ir1 -61.5(6) . . . . ?
C19 C18 C22 C23 175.3(8) . . . . ?
C19 C18 C22 C21 3.1(9) . . . . ?
C19 C20 C21 Ir1 62.0(6) . . . . ?
C19 C20 C21 C22 2.7(10) . . . . ?
C19 C20 C21 C27 -172.9(9) . . . . ?
C22 C18 C19 Ir1 59.7(6) . . . . ?
C22 C18 C19 C20 -1.4(9) . . . . ?
C22 C18 C19 C25 179.2(8) . . . . ?
C11 C12 C4 C6 49.7(17) . . . . ?
C11 C12 C4 C5 -75.6(18) . . . . ?
C30 Si1 N2 Si2 -126.9(7) . . . . ?
C30 Si1 N2 Ge1 52.4(7) . . . . ?
C4 C12 C11 C10 -178.1(13) . . . . ?
C28 Si1 N2 Si2 109.8(8) . . . . ?
C28 Si1 N2 Ge1 -70.9(8) . . . . ?
C25 C19 C20 Ir1 -119.2(9) . . . . ?
C25 C19 C20 C26 3.7(15) . . . . ?
C25 C19 C20 C21 178.5(8) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 0.000 275.0 0.0 ?
2 0.000 0.000 0.500 233.5 0.0 ?
3 0.500 0.500 0.500 233.5 0.0 ?
4 0.500 0.500 0.000 275.0 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
_vrf_PLAT973_ndr-brg-ir-1-s      
;
PROBLEM: _Check Calcd Positive Resid. Density on       Ir1       3.18 eA-3  
RESPONSE: The atom type is correct and there is no evidence of twinning. 
The large residual density near Ir atoms may be due to an anomalous dispersion effect and has no chemical significance.  
;
####################################################################### 
# 
# 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_ndr-brg-ge-rh-s
_database_code_depnum_ccdc_archive 'CCDC 1840992'
_audit_update_record             
;
2018-05-02 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_audit_creation_date             2018-05-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C33 H58 Cl2 Ge N2 O Rh Si2'
_chemical_formula_sum            'C33 H58 Cl2 Ge N2 O Rh Si2'
_chemical_formula_weight         801.39
_chemical_absolute_configuration ?
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C64 H66 O20 N4 S4 Re4'
_chemical_oxdiff_usercomment     'RED COLOUR BLOCK, 200K, 0.42 0.22 0.08'
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'
Ge Ge 0.1547 1.8001 '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'
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      orthorhombic
_space_group_IT_number           43
_space_group_name_H-M_alt        'F d d 2'
_space_group_name_Hall           'F 2 -2d'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/4, y+1/4, z+1/4'
'x+1/4, -y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'-x+1/4, y+3/4, z+3/4'
'x+1/4, -y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'-x+3/4, y+1/4, z+3/4'
'x+3/4, -y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'-x+3/4, y+3/4, z+1/4'
'x+3/4, -y+3/4, z+1/4'

_cell_length_a                   43.1777(13)
_cell_length_b                   31.7106(9)
_cell_length_c                   12.5293(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     17155.0(8)
_cell_formula_units_Z            16
_cell_measurement_reflns_used    8987
_cell_measurement_temperature    247(40)
_cell_measurement_theta_max      29.0909
_cell_measurement_theta_min      3.7676
_shelx_estimated_absorpt_T_max   0.904
_shelx_estimated_absorpt_T_min   0.465
_exptl_absorpt_coefficient_mu    1.290
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.241
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6672
_exptl_crystal_size_max          0.7
_exptl_crystal_size_mid          0.64
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0288
_diffrn_reflns_av_unetI/netI     0.0314
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.903
_diffrn_reflns_limit_h_max       56
_diffrn_reflns_limit_h_min       -58
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30768
_diffrn_reflns_point_group_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.841
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.155
_diffrn_reflns_theta_min         3.775
_diffrn_ambient_temperature      247(40)
_diffrn_detector_area_resol_mean 15.9821
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.903
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -90.00  -37.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397 -178.0000 -150.0000 53

#__ type_ start__ end____ width___ exp.time_
  2 omega  -25.00    0.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  -99.0000    0.0000 25

#__ type_ start__ end____ width___ exp.time_
  3 omega  -24.00   25.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  -99.0000   30.0000 49

#__ type_ start__ end____ width___ exp.time_
  4 omega  -42.00   -2.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397   37.0000 -150.0000 40

#__ type_ start__ end____ width___ exp.time_
  5 omega   14.00   41.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397   37.0000 -150.0000 27

#__ type_ start__ end____ width___ exp.time_
  6 omega  -77.00    4.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  -37.0000 -120.0000 81

#__ type_ start__ end____ width___ exp.time_
  7 omega  -91.00  -66.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397 -178.0000   30.0000 25

#__ type_ start__ end____ width___ exp.time_
  8 omega  -20.00    6.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  -77.0000 -150.0000 26

#__ type_ start__ end____ width___ exp.time_
  9 omega  -52.00   -7.00   1.0000   36.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.3397  -37.0000    0.0000 45
;
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0036531000
_diffrn_orient_matrix_UB_12      -0.0214063000
_diffrn_orient_matrix_UB_13      -0.0104796000
_diffrn_orient_matrix_UB_21      0.0159864000
_diffrn_orient_matrix_UB_22      0.0051280000
_diffrn_orient_matrix_UB_23      -0.0006961000
_diffrn_orient_matrix_UB_31      0.0008823000
_diffrn_orient_matrix_UB_32      -0.0039700000
_diffrn_orient_matrix_UB_33      0.0556404000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.785
_reflns_Friedel_fraction_full    0.952
_reflns_Friedel_fraction_max     0.773
_reflns_number_gt                8840
_reflns_number_total             9742
_reflns_odcompleteness_completeness 99.31
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;
_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         1.093
_refine_diff_density_min         -0.444
_refine_diff_density_rms         0.086
_refine_ls_abs_structure_details 
;
 Flack x determined using 3614 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.003(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         9742
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0423
_refine_ls_R_factor_gt           0.0357
_refine_ls_restrained_S_all      1.071
_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)+(0.0669P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.1011
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C4(H4), C3(H3)
2.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 N1(H1), C11(H11), C10(H10), C9(H9)
2.d Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C), C13(H13A,H13B,H13C), C6(H6A,H6B,H6C), C26(H26A,H26B,
 H26C), C25(H25A,H25B,H25C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C5(H5A,
 H5B,H5C), C31(H31A,H31B,H31C), C28(H28A,H28B,H28C), C27(H27A,H27B,H27C),
 C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C1(H1A,H1B,H1C), C30(H30A,H30B,H30C),
  C2(H2A,H2B,H2C)
;
_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 -0.34057(2) -0.43603(2) -1.69872(3) 0.03088(10) Uani 1 1 d . . . . .
Ge1 Ge -0.31589(2) -0.46562(2) -1.54625(4) 0.03100(12) Uani 1 1 d . . . . .
Cl2 Cl -0.38495(3) -0.48092(5) -1.67979(12) 0.0499(3) Uani 1 1 d . . . . .
O1 O -0.31670(7) -0.41674(10) -1.4554(3) 0.0329(7) Uani 1 1 d . . . . .
N2 N -0.32707(11) -0.50744(12) -1.4512(4) 0.0402(9) Uani 1 1 d . . . . .
C29 C -0.3436(3) -0.5444(3) -1.2386(7) 0.095(3) Uani 1 1 d . . . . .
H29A H -0.361373 -0.558326 -1.270098 0.142 Uiso 1 1 calc GR . . . .
H29B H -0.348283 -0.536633 -1.165534 0.142 Uiso 1 1 calc GR . . . .
H29C H -0.325971 -0.563406 -1.239554 0.142 Uiso 1 1 calc GR . . . .
N1 N -0.28206(9) -0.35841(12) -1.3645(3) 0.0318(8) Uani 1 1 d . . . . .
H1 H -0.286154 -0.385133 -1.371455 0.038 Uiso 1 1 calc R . . . .
C17 C -0.35832(11) -0.39797(17) -1.5708(4) 0.0363(11) Uani 1 1 d . . . . .
H17A H -0.368070 -0.372567 -1.600042 0.044 Uiso 1 1 calc R . . . .
H17B H -0.374090 -0.413821 -1.531352 0.044 Uiso 1 1 calc R . . . .
C14 C -0.30048(11) -0.33131(15) -1.4132(4) 0.0319(10) Uani 1 1 d . . . . .
C16 C -0.33319(11) -0.38600(16) -1.4986(4) 0.0303(9) Uani 1 1 d . . . . .
C15 C -0.32572(11) -0.34431(14) -1.4752(4) 0.0315(10) Uani 1 1 d . . . . .
H15A H -0.344141 -0.332179 -1.441349 0.038 Uiso 1 1 calc R . . . .
H15B H -0.323480 -0.330035 -1.544154 0.038 Uiso 1 1 calc R . . . .
C4 C -0.22149(13) -0.3639(2) -1.4589(5) 0.0526(14) Uani 1 1 d . . . . .
H4 H -0.240790 -0.378388 -1.480546 0.063 Uiso 1 1 calc R . . . .
C11 C -0.20105(13) -0.3331(2) -1.2875(6) 0.0536(14) Uani 1 1 d . . . . .
H11 H -0.181140 -0.332374 -1.317797 0.064 Uiso 1 1 calc R . . . .
C7 C -0.25553(10) -0.34677(14) -1.3002(4) 0.0328(9) Uani 1 1 d . . . . .
C8 C -0.26015(12) -0.33489(17) -1.1935(5) 0.0425(11) Uani 1 1 d . . . . .
C22 C -0.30486(13) -0.4011(2) -1.7780(4) 0.0458(13) Uani 1 1 d . . . . .
C13 C -0.29455(14) -0.28558(17) -1.4033(6) 0.0514(14) Uani 1 1 d . . . . .
H13A H -0.286835 -0.279450 -1.332273 0.077 Uiso 1 1 calc GR . . . .
H13B H -0.313658 -0.270197 -1.415281 0.077 Uiso 1 1 calc GR . . . .
H13C H -0.279282 -0.277079 -1.455842 0.077 Uiso 1 1 calc GR . . . .
C12 C -0.22632(12) -0.34781(17) -1.3479(5) 0.0411(11) Uani 1 1 d . . . . .
C21 C -0.30429(14) -0.4426(2) -1.8236(4) 0.0479(13) Uani 1 1 d . . . . .
C6 C -0.1956(2) -0.3965(3) -1.4614(8) 0.086(3) Uani 1 1 d . . . . .
H6A H -0.175710 -0.382225 -1.460776 0.128 Uiso 1 1 calc GR . . . .
H6B H -0.197362 -0.413319 -1.525759 0.128 Uiso 1 1 calc GR . . . .
H6C H -0.197207 -0.414628 -1.399380 0.128 Uiso 1 1 calc GR . . . .
C26 C -0.3437(2) -0.4904(3) -1.9277(6) 0.073(2) Uani 1 1 d . . . . .
H26A H -0.329670 -0.513383 -1.911017 0.110 Uiso 1 1 calc GR . . . .
H26B H -0.343825 -0.485628 -2.004126 0.110 Uiso 1 1 calc GR . . . .
H26C H -0.364437 -0.497676 -1.904089 0.110 Uiso 1 1 calc GR . . . .
C3 C -0.29136(16) -0.3375(2) -1.1387(5) 0.0604(17) Uani 1 1 d . . . . .
H3 H -0.307096 -0.345262 -1.192677 0.072 Uiso 1 1 calc R . . . .
C25 C -0.38342(16) -0.4073(3) -1.9070(5) 0.0626(18) Uani 1 1 d . . . . .
H25A H -0.398095 -0.424458 -1.867515 0.094 Uiso 1 1 calc GR . . . .
H25B H -0.383266 -0.416053 -1.981176 0.094 Uiso 1 1 calc GR . . . .
H25C H -0.389419 -0.377914 -1.902333 0.094 Uiso 1 1 calc GR . . . .
C23 C -0.27756(15) -0.3792(2) -1.7287(5) 0.0609(17) Uani 1 1 d . . . . .
H23A H -0.284790 -0.356222 -1.683918 0.091 Uiso 1 1 calc GR . . . .
H23B H -0.264348 -0.368010 -1.784567 0.091 Uiso 1 1 calc GR . . . .
H23C H -0.265920 -0.399054 -1.685672 0.091 Uiso 1 1 calc GR . . . .
C19 C -0.35187(14) -0.41283(18) -1.8607(4) 0.0433(12) Uani 1 1 d . . . . .
C24 C -0.34364(16) -0.3374(2) -1.7847(6) 0.0580(16) Uani 1 1 d . . . . .
H24A H -0.365652 -0.336373 -1.769452 0.087 Uiso 1 1 calc GR . . . .
H24B H -0.339160 -0.320057 -1.846542 0.087 Uiso 1 1 calc GR . . . .
H24C H -0.332153 -0.327003 -1.723698 0.087 Uiso 1 1 calc GR . . . .
C5 C -0.2161(2) -0.3281(3) -1.5383(7) 0.075(2) Uani 1 1 d . . . . .
H5A H -0.232507 -0.307374 -1.531537 0.112 Uiso 1 1 calc GR . . . .
H5B H -0.215992 -0.339314 -1.610334 0.112 Uiso 1 1 calc GR . . . .
H5C H -0.196300 -0.314780 -1.523602 0.112 Uiso 1 1 calc GR . . . .
C31 C -0.3007(2) -0.5942(2) -1.4367(7) 0.083(3) Uani 1 1 d . . . . .
H31A H -0.279899 -0.587786 -1.460814 0.124 Uiso 1 1 calc GR . . . .
H31B H -0.305696 -0.623207 -1.454280 0.124 Uiso 1 1 calc GR . . . .
H31C H -0.301982 -0.590287 -1.360061 0.124 Uiso 1 1 calc GR . . . .
C10 C -0.20550(17) -0.3197(2) -1.1827(7) 0.0640(18) Uani 1 1 d . . . . .
H10 H -0.188570 -0.309502 -1.143192 0.077 Uiso 1 1 calc R . . . .
C9 C -0.23419(17) -0.3211(2) -1.1367(6) 0.0589(16) Uani 1 1 d . . . . .
H9 H -0.236521 -0.312513 -1.065316 0.071 Uiso 1 1 calc R . . . .
C20 C -0.33295(16) -0.4502(2) -1.8703(4) 0.0502(14) Uani 1 1 d . . . . .
C28 C -0.30007(19) -0.4703(3) -1.2519(6) 0.070(2) Uani 1 1 d . . . . .
H28A H -0.281481 -0.476327 -1.292546 0.105 Uiso 1 1 calc GR . . . .
H28B H -0.297857 -0.481360 -1.180137 0.105 Uiso 1 1 calc GR . . . .
H28C H -0.303201 -0.440006 -1.248616 0.105 Uiso 1 1 calc GR . . . .
C18 C -0.33422(13) -0.38257(18) -1.8075(4) 0.0439(12) Uani 1 1 d . . . . .
C27 C -0.27676(17) -0.4710(3) -1.8263(6) 0.067(2) Uani 1 1 d . . . . .
H27A H -0.264614 -0.466956 -1.761954 0.101 Uiso 1 1 calc GR . . . .
H27B H -0.264186 -0.464296 -1.888190 0.101 Uiso 1 1 calc GR . . . .
H27C H -0.283558 -0.500069 -1.830491 0.101 Uiso 1 1 calc GR . . . .
C32 C -0.3180(3) -0.5576(2) -1.6485(6) 0.078(2) Uani 1 1 d . . . . .
H32A H -0.331510 -0.538432 -1.686800 0.116 Uiso 1 1 calc GR . . . .
H32B H -0.320069 -0.585756 -1.677691 0.116 Uiso 1 1 calc GR . . . .
H32C H -0.296685 -0.548253 -1.655779 0.116 Uiso 1 1 calc GR . . . .
C33 C -0.3686(2) -0.5812(3) -1.4936(8) 0.086(3) Uani 1 1 d . . . . .
H33A H -0.374363 -0.583409 -1.419049 0.129 Uiso 1 1 calc GR . . . .
H33B H -0.368719 -0.609053 -1.525784 0.129 Uiso 1 1 calc GR . . . .
H33C H -0.383217 -0.563206 -1.530573 0.129 Uiso 1 1 calc GR . . . .
C1 C -0.2903(2) -0.3715(4) -1.0554(8) 0.102(3) Uani 1 1 d . . . . .
H1A H -0.280083 -0.396235 -1.084339 0.153 Uiso 1 1 calc GR . . . .
H1B H -0.311291 -0.378893 -1.034438 0.153 Uiso 1 1 calc GR . . . .
H1C H -0.279012 -0.361505 -0.993546 0.153 Uiso 1 1 calc GR . . . .
C30 C -0.36804(18) -0.4598(3) -1.3011(7) 0.074(2) Uani 1 1 d . . . . .
H30A H -0.363180 -0.432274 -1.330192 0.111 Uiso 1 1 calc GR . . . .
H30B H -0.372898 -0.457149 -1.225800 0.111 Uiso 1 1 calc GR . . . .
H30C H -0.385719 -0.471549 -1.338506 0.111 Uiso 1 1 calc GR . . . .
Cl1 Cl -0.26396(3) -0.46972(5) -1.54108(14) 0.0549(4) Uani 1 1 d . . . . .
C2 C -0.3009(2) -0.2968(4) -1.0883(10) 0.111(4) Uani 1 1 d . . . . .
H2A H -0.285699 -0.288682 -1.035052 0.166 Uiso 1 1 calc GR . . . .
H2B H -0.320945 -0.300177 -1.054649 0.166 Uiso 1 1 calc GR . . . .
H2C H -0.302156 -0.275034 -1.142633 0.166 Uiso 1 1 calc GR . . . .
Si2 Si -0.32887(5) -0.55813(5) -1.50426(14) 0.0501(4) Uani 1 1 d . . . . .
Si1 Si -0.33403(4) -0.49546(5) -1.31786(12) 0.0424(3) 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 Ge1 2.3802(6) . ?
Rh1 Cl2 2.3989(13) . ?
Rh1 C17 2.148(5) . ?
Rh1 C22 2.142(5) . ?
Rh1 C21 2.224(5) . ?
Rh1 C19 2.213(5) . ?
Rh1 C20 2.221(5) . ?
Rh1 C18 2.192(5) . ?
Ge1 O1 1.923(3) . ?
Ge1 N2 1.847(4) . ?
Ge1 Cl1 2.2468(14) . ?
O1 C16 1.323(6) . ?
N2 Si2 1.741(4) . ?
N2 Si1 1.739(5) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C29 H29C 0.9700 . ?
C29 Si1 1.888(7) . ?
N1 H1 0.8700 . ?
N1 C14 1.321(6) . ?
N1 C7 1.448(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 C16 1.463(7) . ?
C14 C15 1.400(7) . ?
C14 C13 1.478(7) . ?
C16 C15 1.392(7) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C4 H4 0.9900 . ?
C4 C12 1.495(9) . ?
C4 C6 1.524(9) . ?
C4 C5 1.528(10) . ?
C11 H11 0.9400 . ?
C11 C12 1.408(8) . ?
C11 C10 1.393(11) . ?
C7 C8 1.404(8) . ?
C7 C12 1.396(7) . ?
C8 C3 1.514(8) . ?
C8 C9 1.398(8) . ?
C22 C21 1.434(9) . ?
C22 C23 1.503(9) . ?
C22 C18 1.446(8) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C21 C20 1.390(9) . ?
C21 C27 1.490(9) . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C26 H26C 0.9700 . ?
C26 C20 1.536(10) . ?
C3 H3 0.9900 . ?
C3 C1 1.503(12) . ?
C3 C2 1.494(12) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 H25C 0.9700 . ?
C25 C19 1.491(8) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C19 C20 1.444(9) . ?
C19 C18 1.395(8) . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C24 C18 1.515(9) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31 H31C 0.9700 . ?
C31 Si2 1.871(7) . ?
C10 H10 0.9400 . ?
C10 C9 1.367(11) . ?
C9 H9 0.9400 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
C28 Si1 1.863(7) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C32 Si2 1.867(8) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 H33C 0.9700 . ?
C33 Si2 1.868(9) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 H1C 0.9700 . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C30 H30C 0.9700 . ?
C30 Si1 1.864(7) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C2 H2C 0.9700 . ?

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
Ge1 Rh1 Cl2 92.54(4) . . ?
C17 Rh1 Ge1 77.43(13) . . ?
C17 Rh1 Cl2 88.54(15) . . ?
C17 Rh1 C21 146.0(2) . . ?
C17 Rh1 C19 114.8(2) . . ?
C17 Rh1 C20 152.7(2) . . ?
C17 Rh1 C18 94.2(2) . . ?
C22 Rh1 Ge1 104.70(16) . . ?
C22 Rh1 Cl2 158.02(17) . . ?
C22 Rh1 C17 108.2(2) . . ?
C22 Rh1 C21 38.3(2) . . ?
C22 Rh1 C19 64.0(2) . . ?
C22 Rh1 C20 63.2(2) . . ?
C22 Rh1 C18 38.9(2) . . ?
C21 Rh1 Ge1 102.25(16) . . ?
C21 Rh1 Cl2 125.19(18) . . ?
C19 Rh1 Ge1 164.96(16) . . ?
C19 Rh1 Cl2 96.41(16) . . ?
C19 Rh1 C21 62.7(2) . . ?
C19 Rh1 C20 38.0(2) . . ?
C20 Rh1 Ge1 129.11(17) . . ?
C20 Rh1 Cl2 95.39(18) . . ?
C20 Rh1 C21 36.4(2) . . ?
C18 Rh1 Ge1 138.40(16) . . ?
C18 Rh1 Cl2 128.33(16) . . ?
C18 Rh1 C21 63.1(2) . . ?
C18 Rh1 C19 36.9(2) . . ?
C18 Rh1 C20 62.4(2) . . ?
O1 Ge1 Rh1 98.56(10) . . ?
O1 Ge1 Cl1 92.74(11) . . ?
N2 Ge1 Rh1 133.14(14) . . ?
N2 Ge1 O1 101.10(17) . . ?
N2 Ge1 Cl1 101.58(15) . . ?
Cl1 Ge1 Rh1 119.52(5) . . ?
C16 O1 Ge1 111.2(3) . . ?
Si2 N2 Ge1 115.4(3) . . ?
Si1 N2 Ge1 120.5(2) . . ?
Si1 N2 Si2 124.1(3) . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si1 C29 H29A 109.5 . . ?
Si1 C29 H29B 109.5 . . ?
Si1 C29 H29C 109.5 . . ?
C14 N1 H1 117.7 . . ?
C14 N1 C7 124.6(4) . . ?
C7 N1 H1 117.7 . . ?
Rh1 C17 H17A 109.7 . . ?
Rh1 C17 H17B 109.7 . . ?
H17A C17 H17B 108.2 . . ?
C16 C17 Rh1 110.0(3) . . ?
C16 C17 H17A 109.7 . . ?
C16 C17 H17B 109.7 . . ?
N1 C14 C15 122.2(4) . . ?
N1 C14 C13 119.7(5) . . ?
C15 C14 C13 118.1(4) . . ?
O1 C16 C17 117.5(4) . . ?
O1 C16 C15 119.3(4) . . ?
C15 C16 C17 123.3(4) . . ?
C14 C15 H15A 106.0 . . ?
C14 C15 H15B 106.0 . . ?
C16 C15 C14 125.2(4) . . ?
C16 C15 H15A 106.0 . . ?
C16 C15 H15B 106.0 . . ?
H15A C15 H15B 106.3 . . ?
C12 C4 H4 107.2 . . ?
C12 C4 C6 110.7(6) . . ?
C12 C4 C5 112.0(5) . . ?
C6 C4 H4 107.2 . . ?
C6 C4 C5 112.2(6) . . ?
C5 C4 H4 107.2 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.1(6) . . ?
C8 C7 N1 119.1(4) . . ?
C12 C7 N1 118.0(5) . . ?
C12 C7 C8 122.9(5) . . ?
C7 C8 C3 122.9(5) . . ?
C9 C8 C7 117.1(5) . . ?
C9 C8 C3 120.0(6) . . ?
C21 C22 Rh1 73.9(3) . . ?
C21 C22 C23 125.2(6) . . ?
C21 C22 C18 106.7(5) . . ?
C23 C22 Rh1 127.8(4) . . ?
C18 C22 Rh1 72.4(3) . . ?
C18 C22 C23 127.2(6) . . ?
C14 C13 H13A 109.5 . . ?
C14 C13 H13B 109.5 . . ?
C14 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C12 C4 120.3(5) . . ?
C7 C12 C4 122.2(5) . . ?
C7 C12 C11 117.5(5) . . ?
C22 C21 Rh1 67.8(3) . . ?
C22 C21 C27 125.1(6) . . ?
C20 C21 Rh1 71.7(3) . . ?
C20 C21 C22 108.1(5) . . ?
C20 C21 C27 126.6(6) . . ?
C27 C21 Rh1 129.4(4) . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C20 C26 H26A 109.5 . . ?
C20 C26 H26B 109.5 . . ?
C20 C26 H26C 109.5 . . ?
C8 C3 H3 108.4 . . ?
C1 C3 C8 109.1(7) . . ?
C1 C3 H3 108.4 . . ?
C2 C3 C8 112.9(6) . . ?
C2 C3 H3 108.4 . . ?
C2 C3 C1 109.6(8) . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C19 C25 H25A 109.5 . . ?
C19 C25 H25B 109.5 . . ?
C19 C25 H25C 109.5 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C19 Rh1 126.7(4) . . ?
C20 C19 Rh1 71.3(3) . . ?
C20 C19 C25 125.5(6) . . ?
C18 C19 Rh1 70.7(3) . . ?
C18 C19 C25 127.2(6) . . ?
C18 C19 C20 107.2(5) . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C18 C24 H24A 109.5 . . ?
C18 C24 H24B 109.5 . . ?
C18 C24 H24C 109.5 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si2 C31 H31A 109.5 . . ?
Si2 C31 H31B 109.5 . . ?
Si2 C31 H31C 109.5 . . ?
C11 C10 H10 119.6 . . ?
C9 C10 C11 120.8(6) . . ?
C9 C10 H10 119.6 . . ?
C8 C9 H9 119.3 . . ?
C10 C9 C8 121.5(6) . . ?
C10 C9 H9 119.3 . . ?
C21 C20 Rh1 71.9(3) . . ?
C21 C20 C26 127.6(6) . . ?
C21 C20 C19 109.1(6) . . ?
C26 C20 Rh1 125.2(5) . . ?
C19 C20 Rh1 70.7(3) . . ?
C19 C20 C26 123.3(6) . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
C22 C18 Rh1 68.7(3) . . ?
C22 C18 C24 124.9(6) . . ?
C19 C18 Rh1 72.4(3) . . ?
C19 C18 C22 108.7(5) . . ?
C19 C18 C24 126.4(6) . . ?
C24 C18 Rh1 125.5(4) . . ?
C21 C27 H27A 109.5 . . ?
C21 C27 H27B 109.5 . . ?
C21 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si2 C32 H32A 109.5 . . ?
Si2 C32 H32B 109.5 . . ?
Si2 C32 H32C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si2 C33 H33A 109.5 . . ?
Si2 C33 H33B 109.5 . . ?
Si2 C33 H33C 109.5 . . ?
C3 C1 H1A 109.5 . . ?
C3 C1 H1B 109.5 . . ?
C3 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si1 C30 H30A 109.5 . . ?
Si1 C30 H30B 109.5 . . ?
Si1 C30 H30C 109.5 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C3 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 Si2 C31 111.2(3) . . ?
N2 Si2 C32 110.5(3) . . ?
N2 Si2 C33 112.1(4) . . ?
C32 Si2 C31 106.2(4) . . ?
C32 Si2 C33 107.7(5) . . ?
C33 Si2 C31 108.9(4) . . ?
N2 Si1 C29 111.3(3) . . ?
N2 Si1 C28 112.6(3) . . ?
N2 Si1 C30 112.1(3) . . ?
C28 Si1 C29 106.9(4) . . ?
C28 Si1 C30 108.1(4) . . ?
C30 Si1 C29 105.5(4) . . ?

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 Ge1 N2 Si2 67.2(3) . . . . ?
Rh1 Ge1 N2 Si1 -114.5(2) . . . . ?
Rh1 C17 C16 O1 -56.6(5) . . . . ?
Rh1 C17 C16 C15 122.3(4) . . . . ?
Rh1 C22 C21 C20 60.6(4) . . . . ?
Rh1 C22 C21 C27 -123.4(6) . . . . ?
Rh1 C22 C18 C19 -61.6(4) . . . . ?
Rh1 C22 C18 C24 119.1(5) . . . . ?
Rh1 C21 C20 C26 -120.9(6) . . . . ?
Rh1 C21 C20 C19 61.2(4) . . . . ?
Rh1 C19 C20 C21 -62.0(4) . . . . ?
Rh1 C19 C20 C26 120.0(6) . . . . ?
Rh1 C19 C18 C22 59.3(4) . . . . ?
Rh1 C19 C18 C24 -121.5(6) . . . . ?
Ge1 O1 C16 C17 28.3(5) . . . . ?
Ge1 O1 C16 C15 -150.7(4) . . . . ?
Ge1 N2 Si2 C31 118.8(4) . . . . ?
Ge1 N2 Si2 C32 1.1(5) . . . . ?
Ge1 N2 Si2 C33 -119.0(4) . . . . ?
Ge1 N2 Si1 C29 -177.9(4) . . . . ?
Ge1 N2 Si1 C28 -57.9(4) . . . . ?
Ge1 N2 Si1 C30 64.2(4) . . . . ?
O1 Ge1 N2 Si2 -179.7(2) . . . . ?
O1 Ge1 N2 Si1 -1.4(3) . . . . ?
O1 C16 C15 C14 4.1(7) . . . . ?
N1 C14 C15 C16 -4.4(7) . . . . ?
N1 C7 C8 C3 5.8(8) . . . . ?
N1 C7 C8 C9 -175.6(5) . . . . ?
N1 C7 C12 C4 -5.2(7) . . . . ?
N1 C7 C12 C11 174.9(5) . . . . ?
C17 C16 C15 C14 -174.9(4) . . . . ?
C14 N1 C7 C8 82.4(6) . . . . ?
C14 N1 C7 C12 -97.4(6) . . . . ?
C11 C10 C9 C8 -1.7(11) . . . . ?
C7 N1 C14 C15 179.5(4) . . . . ?
C7 N1 C14 C13 -0.3(7) . . . . ?
C7 C8 C3 C1 111.2(7) . . . . ?
C7 C8 C3 C2 -126.7(8) . . . . ?
C7 C8 C9 C10 -0.8(9) . . . . ?
C8 C7 C12 C4 174.9(5) . . . . ?
C8 C7 C12 C11 -5.0(8) . . . . ?
C22 C21 C20 Rh1 -58.1(4) . . . . ?
C22 C21 C20 C26 -179.0(6) . . . . ?
C22 C21 C20 C19 3.1(6) . . . . ?
C13 C14 C15 C16 175.3(5) . . . . ?
C12 C11 C10 C9 0.9(11) . . . . ?
C12 C7 C8 C3 -174.4(6) . . . . ?
C12 C7 C8 C9 4.2(8) . . . . ?
C21 C22 C18 Rh1 66.5(4) . . . . ?
C21 C22 C18 C19 4.9(6) . . . . ?
C21 C22 C18 C24 -174.3(5) . . . . ?
C6 C4 C12 C11 50.7(8) . . . . ?
C6 C4 C12 C7 -129.2(6) . . . . ?
C3 C8 C9 C10 177.8(6) . . . . ?
C25 C19 C20 Rh1 -122.2(5) . . . . ?
C25 C19 C20 C21 175.8(5) . . . . ?
C25 C19 C20 C26 -2.1(9) . . . . ?
C25 C19 C18 Rh1 121.9(6) . . . . ?
C25 C19 C18 C22 -178.8(5) . . . . ?
C25 C19 C18 C24 0.5(9) . . . . ?
C23 C22 C21 Rh1 125.3(6) . . . . ?
C23 C22 C21 C20 -174.1(5) . . . . ?
C23 C22 C21 C27 1.9(9) . . . . ?
C23 C22 C18 Rh1 -124.5(6) . . . . ?
C23 C22 C18 C19 173.9(5) . . . . ?
C23 C22 C18 C24 -5.4(9) . . . . ?
C5 C4 C12 C11 -75.3(8) . . . . ?
C5 C4 C12 C7 104.8(7) . . . . ?
C10 C11 C12 C4 -177.6(6) . . . . ?
C10 C11 C12 C7 2.3(9) . . . . ?
C9 C8 C3 C1 -67.4(8) . . . . ?
C9 C8 C3 C2 54.8(10) . . . . ?
C20 C19 C18 Rh1 -62.4(4) . . . . ?
C20 C19 C18 C22 -3.1(6) . . . . ?
C20 C19 C18 C24 176.2(5) . . . . ?
C18 C22 C21 Rh1 -65.5(3) . . . . ?
C18 C22 C21 C20 -4.9(6) . . . . ?
C18 C22 C21 C27 171.1(5) . . . . ?
C18 C19 C20 Rh1 62.0(4) . . . . ?
C18 C19 C20 C21 0.0(6) . . . . ?
C18 C19 C20 C26 -178.0(6) . . . . ?
C27 C21 C20 Rh1 125.9(6) . . . . ?
C27 C21 C20 C26 5.0(10) . . . . ?
C27 C21 C20 C19 -172.8(6) . . . . ?
Cl1 Ge1 N2 Si2 -84.6(2) . . . . ?
Cl1 Ge1 N2 Si1 93.8(3) . . . . ?
Si2 N2 Si1 C29 0.2(5) . . . . ?
Si2 N2 Si1 C28 120.3(4) . . . . ?
Si2 N2 Si1 C30 -117.6(4) . . . . ?
Si1 N2 Si2 C31 -59.5(5) . . . . ?
Si1 N2 Si2 C32 -177.2(4) . . . . ?
Si1 N2 Si2 C33 62.7(5) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.000 -0.046 250.8 0.0 ?
2 0.000 0.500 0.454 250.8 0.0 ?
3 0.250 0.250 0.204 250.8 0.0 ?
4 0.250 0.750 0.704 250.8 0.0 ?
5 0.500 0.000 0.454 250.8 0.0 ?
6 0.500 0.500 0.954 250.8 0.0 ?
7 0.750 0.250 0.704 250.8 0.0 ?
8 0.750 0.750 0.204 250.8 0.0 ?

_olex2_submission_special_instructions 'No special instructions were received'
