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

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

data_rei1035m
_database_code_depnum_ccdc_archive 'CCDC 1889621'
_audit_update_record             
;
2019-01-12 deposited with the CCDC.
2019-02-07 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C92 H123 Cl3 Ge2 N6 O Rh3'
_chemical_formula_iupac          ?
_chemical_formula_weight         1889.22

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_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                   12.1630(3)
_cell_length_b                   23.7267(4)
_cell_length_c                   29.4161(5)
_cell_angle_alpha                90
_cell_angle_beta                 90.9225(7)
_cell_angle_gamma                90
_cell_volume                     8488.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9589
_cell_measurement_theta_min      2.2477
_cell_measurement_theta_max      30.6552
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.478
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3900

_exptl_absorpt_coefficient_mu    1.416
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.79
_exptl_absorpt_correction_T_max  0.92

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            126986
_diffrn_reflns_av_R_equivalents  0.0960
_diffrn_reflns_av_unetI/netI     0.0891
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         31.01
_diffrn_reflns_theta_full        31.01
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_limit_l_max       42

_refine_special_details          
;
;

_reflns_number_total             27057
_reflns_number_gt                17567
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0989
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_gt          0.0800
_refine_ls_wR_factor_ref         0.0986
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_number_reflns         27057
_refine_ls_number_parameters     974
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0248P)²+6.6554P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.348
_refine_diff_density_min         -1.143
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2017)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.6989(3) 0.68460(13) 0.40181(10) 0.0170(6) Uani d . . . 1 . .
C C2 0.8611(3) 0.62859(13) 0.37304(11) 0.0192(7) Uani d . . . 1 . .
C C3 0.9412(3) 0.61499(16) 0.41195(12) 0.0291(8) Uani d . . . 1 . .
H H3A 0.915083 0.58152 0.428728 0.035 Uiso calc U . R 1 . .
H H3B 0.944988 0.647132 0.433383 0.035 Uiso calc U . R 1 . .
C C4 1.0558(3) 0.60334(17) 0.39286(13) 0.0352(10) Uani d . . . 1 . .
H H4 1.10788 0.59401 0.418418 0.042 Uiso calc U . R 1 . .
C C5 1.0496(4) 0.55404(16) 0.35999(15) 0.0421(11) Uani d . . . 1 . .
H H5A 1.123418 0.546406 0.347657 0.05 Uiso calc U . R 1 . .
H H5B 1.024651 0.519852 0.376122 0.05 Uiso calc U . R 1 . .
C C6 0.9699(3) 0.56790(16) 0.32145(15) 0.0382(11) Uani d . . . 1 . .
H H6 0.966355 0.535334 0.299897 0.046 Uiso calc U . R 1 . .
C C7 0.8550(3) 0.57924(16) 0.33953(14) 0.0339(9) Uani d . . . 1 . .
H H7A 0.826954 0.545225 0.355023 0.041 Uiso calc U . R 1 . .
H H7B 0.804027 0.58853 0.314038 0.041 Uiso calc U . R 1 . .
C C8 0.9008(3) 0.68098(15) 0.34874(12) 0.0243(8) Uani d . . . 1 . .
H H8A 0.904427 0.713041 0.370249 0.029 Uiso calc U . R 1 . .
H H8B 0.848821 0.690867 0.323749 0.029 Uiso calc U . R 1 . .
C C9 1.0158(3) 0.66948(14) 0.32940(12) 0.0244(8) Uani d . . . 1 . .
H H9 1.042089 0.703764 0.313063 0.029 Uiso calc U . R 1 . .
C C10 1.0963(3) 0.65532(16) 0.36826(13) 0.0309(9) Uani d . . . 1 . .
H H10A 1.170343 0.648221 0.355989 0.037 Uiso calc U . R 1 . .
H H10B 1.101486 0.687425 0.389678 0.037 Uiso calc U . R 1 . .
C C11 1.0097(3) 0.61980(17) 0.29621(12) 0.0311(9) Uani d . . . 1 . .
H H11A 0.958408 0.628739 0.270761 0.037 Uiso calc U . R 1 . .
H H11B 1.083264 0.612529 0.283488 0.037 Uiso calc U . R 1 . .
C C12 0.6903(3) 0.58826(14) 0.41170(13) 0.0290(8) Uani d . . . 1 . .
H H12A 0.741123 0.560865 0.426264 0.035 Uiso calc U . R 1 . .
H H12B 0.646626 0.568882 0.38768 0.035 Uiso calc U . R 1 . .
C C13 0.6179(4) 0.61504(16) 0.44568(16) 0.0445(12) Uani d . . . 1 . .
H H13A 0.545096 0.596452 0.446428 0.053 Uiso calc U . R 1 . .
H H13B 0.651819 0.614116 0.476498 0.053 Uiso calc U . R 1 . .
C C14 0.5450(3) 0.71736(14) 0.44371(11) 0.0204(7) Uani d . . . 1 . .
C C15 0.4512(3) 0.70367(14) 0.47632(11) 0.0212(7) Uani d . . . 1 . .
C C16 0.5022(3) 0.67551(15) 0.51918(11) 0.0258(8) Uani d . . . 1 . .
H H16A 0.521217 0.636334 0.512276 0.039 Uiso calc U . R 1 . .
H H16B 0.448978 0.676333 0.543839 0.039 Uiso calc U . R 1 . .
H H16C 0.568679 0.696041 0.528573 0.039 Uiso calc U . R 1 . .
C C17 0.3652(3) 0.66488(16) 0.45304(12) 0.0307(9) Uani d . . . 1 . .
H H17A 0.326032 0.685878 0.429097 0.046 Uiso calc U . R 1 . .
H H17B 0.312588 0.651779 0.475616 0.046 Uiso calc U . R 1 . .
H H17C 0.402383 0.632375 0.439655 0.046 Uiso calc U . R 1 . .
C C18 0.3911(3) 0.75580(15) 0.49362(13) 0.0314(9) Uani d . . . 1 . .
H H18A 0.443626 0.78067 0.509336 0.047 Uiso calc U . R 1 . .
H H18B 0.333859 0.744258 0.514747 0.047 Uiso calc U . R 1 . .
H H18C 0.357363 0.775916 0.467858 0.047 Uiso calc U . R 1 . .
C C19 0.5172(3) 0.81849(13) 0.43099(11) 0.0186(7) Uani d . . . 1 . .
C C20 0.5488(3) 0.86028(14) 0.46208(11) 0.0223(7) Uani d . . . 1 . .
C C21 0.6398(3) 0.85032(16) 0.49656(12) 0.0295(8) Uani d . . . 1 . .
H H21A 0.71046 0.8488 0.481085 0.044 Uiso calc U . R 1 . .
H H21B 0.627061 0.814539 0.512266 0.044 Uiso calc U . R 1 . .
H H21C 0.640926 0.881144 0.518736 0.044 Uiso calc U . R 1 . .
C C22 0.4908(3) 0.91068(15) 0.46185(13) 0.0289(8) Uani d . . . 1 . .
H H22 0.512067 0.939515 0.482603 0.035 Uiso calc U . R 1 . .
C C23 0.4030(3) 0.92024(15) 0.43233(13) 0.0307(9) Uani d . . . 1 . .
C C24 0.3372(4) 0.97408(17) 0.43509(17) 0.0513(13) Uani d . . . 1 . .
H H24A 0.278641 0.973651 0.411798 0.077 Uiso calc U . R 1 . .
H H24B 0.304535 0.977104 0.465237 0.077 Uiso calc U . R 1 . .
H H24C 0.38559 1.006404 0.430025 0.077 Uiso calc U . R 1 . .
C C25 0.3751(3) 0.87852(15) 0.40115(12) 0.0275(8) Uani d . . . 1 . .
H H25 0.316075 0.885064 0.380286 0.033 Uiso calc U . R 1 . .
C C26 0.4311(3) 0.82735(14) 0.39950(11) 0.0206(7) Uani d . . . 1 . .
C C27 0.3970(3) 0.78339(15) 0.36553(11) 0.0260(8) Uani d . . . 1 . .
H H27A 0.37807 0.74852 0.381453 0.039 Uiso calc U . R 1 . .
H H27B 0.457784 0.77611 0.344856 0.039 Uiso calc U . R 1 . .
H H27C 0.332901 0.796778 0.348048 0.039 Uiso calc U . R 1 . .
C C28 1.0325(3) 0.79757(16) 0.47464(13) 0.0340(9) Uani d . . . 1 . .
H H28 1.056181 0.762622 0.491085 0.041 Uiso calc U . R 1 . .
C C29 0.9648(3) 0.83252(17) 0.49951(12) 0.0335(9) Uani d . . . 1 . .
H H29 0.948468 0.818528 0.530748 0.04 Uiso calc U . R 1 . .
C C30 0.9576(4) 0.89510(17) 0.49412(14) 0.0453(12) Uani d . . . 1 . .
H H30A 1.024616 0.912259 0.507776 0.054 Uiso calc U . R 1 . .
H H30B 0.89386 0.908928 0.511381 0.054 Uiso calc U . R 1 . .
C C31 0.9460(4) 0.91505(17) 0.44543(15) 0.0452(12) Uani d . . . 1 . .
H H31A 0.904093 0.950828 0.444851 0.054 Uiso calc U . R 1 . .
H H31B 1.019994 0.922811 0.433385 0.054 Uiso calc U . R 1 . .
C C32 0.8884(3) 0.87281(15) 0.41478(13) 0.0294(9) Uani d . . . 1 . .
H H32 0.821386 0.887973 0.398903 0.035 Uiso calc U . R 1 . .
C C33 0.9444(3) 0.83200(16) 0.38998(12) 0.0289(8) Uani d . . . 1 . .
H H33 0.91003 0.823439 0.35965 0.035 Uiso calc U . R 1 . .
C C34 1.0670(3) 0.82312(19) 0.39200(15) 0.0421(11) Uani d . . . 1 . .
H H34A 1.103076 0.854934 0.376368 0.05 Uiso calc U . R 1 . .
H H34B 1.084758 0.78825 0.375161 0.05 Uiso calc U . R 1 . .
C C35 1.1143(3) 0.81852(19) 0.43970(14) 0.0399(10) Uani d . . . 1 . .
H H35A 1.141811 0.856023 0.449299 0.048 Uiso calc U . R 1 . .
H H35B 1.177917 0.792491 0.439362 0.048 Uiso calc U . R 1 . .
C C36 0.6693(3) 0.86635(14) 0.33304(11) 0.0232(7) Uani d . . . 1 . .
C C37 0.5963(3) 0.78419(12) 0.18730(10) 0.0146(6) Uani d . . . 1 . .
C C38 0.4222(3) 0.72654(13) 0.18781(10) 0.0166(6) Uani d . . . 1 . .
C C39 0.3304(3) 0.73378(14) 0.15210(11) 0.0204(7) Uani d . . . 1 . .
H H39A 0.348856 0.712479 0.124307 0.025 Uiso calc U . R 1 . .
H H39B 0.323133 0.774086 0.143895 0.025 Uiso calc U . R 1 . .
C C40 0.2212(3) 0.71210(15) 0.17106(12) 0.0248(8) Uani d . . . 1 . .
H H40 0.161656 0.71669 0.147528 0.03 Uiso calc U . R 1 . .
C C41 0.2327(3) 0.64967(15) 0.18350(13) 0.0283(8) Uani d . . . 1 . .
H H41A 0.250848 0.627515 0.156104 0.034 Uiso calc U . R 1 . .
H H41B 0.162362 0.635409 0.19548 0.034 Uiso calc U . R 1 . .
C C42 0.3242(3) 0.64299(15) 0.21959(12) 0.0266(8) Uani d . . . 1 . .
H H42 0.331356 0.602274 0.227894 0.032 Uiso calc U . R 1 . .
C C43 0.4333(3) 0.66377(13) 0.20034(11) 0.0207(7) Uani d . . . 1 . .
H H43A 0.451927 0.641603 0.173008 0.025 Uiso calc U . R 1 . .
H H43B 0.493018 0.658753 0.223245 0.025 Uiso calc U . R 1 . .
C C44 0.3926(3) 0.76031(14) 0.22992(11) 0.0210(7) Uani d . . . 1 . .
H H44A 0.385316 0.800681 0.221911 0.025 Uiso calc U . R 1 . .
H H44B 0.451877 0.756603 0.253192 0.025 Uiso calc U . R 1 . .
C C45 0.2842(3) 0.73872(15) 0.24913(12) 0.0262(8) Uani d . . . 1 . .
H H45 0.265815 0.760967 0.276873 0.031 Uiso calc U . R 1 . .
C C46 0.1921(3) 0.74590(16) 0.21352(13) 0.0289(8) Uani d . . . 1 . .
H H46A 0.183549 0.786252 0.205649 0.035 Uiso calc U . R 1 . .
H H46B 0.121663 0.732248 0.225855 0.035 Uiso calc U . R 1 . .
C C47 0.2975(3) 0.67688(16) 0.26203(12) 0.0321(9) Uani d . . . 1 . .
H H47A 0.22866 0.662682 0.275446 0.039 Uiso calc U . R 1 . .
H H47B 0.35748 0.67271 0.28492 0.039 Uiso calc U . R 1 . .
C C48 0.5608(3) 0.73114(14) 0.12289(11) 0.0209(7) Uani d . . . 1 . .
H H48A 0.512199 0.749133 0.099807 0.025 Uiso calc U . R 1 . .
H H48B 0.55856 0.689758 0.118648 0.025 Uiso calc U . R 1 . .
C C49 0.6779(3) 0.75332(13) 0.11984(10) 0.0184(7) Uani d . . . 1 . .
H H49A 0.732452 0.722595 0.123345 0.022 Uiso calc U . R 1 . .
H H49B 0.689891 0.773029 0.090677 0.022 Uiso calc U . R 1 . .
C C50 0.7594(3) 0.83502(13) 0.16944(10) 0.0157(6) Uani d . . . 1 . .
C C51 0.8482(3) 0.84946(13) 0.13463(10) 0.0180(7) Uani d . . . 1 . .
C C52 0.7877(3) 0.87790(14) 0.09391(11) 0.0231(7) Uani d . . . 1 . .
H H52A 0.727377 0.853593 0.083316 0.035 Uiso calc U . R 1 . .
H H52B 0.83941 0.88376 0.069151 0.035 Uiso calc U . R 1 . .
H H52C 0.757998 0.914319 0.103527 0.035 Uiso calc U . R 1 . .
C C53 0.9112(3) 0.79625(14) 0.11991(11) 0.0237(7) Uani d . . . 1 . .
H H53A 0.928663 0.773191 0.146705 0.036 Uiso calc U . R 1 . .
H H53B 0.979475 0.80734 0.105094 0.036 Uiso calc U . R 1 . .
H H53C 0.865477 0.774414 0.098573 0.036 Uiso calc U . R 1 . .
C C54 0.9359(3) 0.89116(14) 0.15197(12) 0.0246(8) Uani d . . . 1 . .
H H54A 0.900131 0.925804 0.162243 0.037 Uiso calc U . R 1 . .
H H54B 0.986368 0.900074 0.12735 0.037 Uiso calc U . R 1 . .
H H54C 0.977158 0.874216 0.177391 0.037 Uiso calc U . R 1 . .
C C55 0.8111(3) 0.89765(13) 0.23308(10) 0.0158(6) Uani d . . . 1 . .
C C56 0.7900(3) 0.95571(13) 0.23328(11) 0.0190(7) Uani d . . . 1 . .
C C57 0.8548(3) 0.98921(14) 0.26162(11) 0.0219(7) Uani d . . . 1 . .
H H57 0.841271 1.028628 0.262231 0.026 Uiso calc U . R 1 . .
C C58 0.9380(3) 0.96777(14) 0.28892(11) 0.0228(7) Uani d . . . 1 . .
C C59 0.9569(3) 0.90988(14) 0.28759(11) 0.0211(7) Uani d . . . 1 . .
H H59 1.014296 0.894447 0.306005 0.025 Uiso calc U . R 1 . .
C C60 0.8946(3) 0.87400(13) 0.26024(10) 0.0171(6) Uani d . . . 1 . .
C C61 0.9173(3) 0.81147(13) 0.26002(11) 0.0199(7) Uani d . . . 1 . .
H H61A 0.981007 0.803366 0.279765 0.03 Uiso calc U . R 1 . .
H H61B 0.932678 0.79921 0.228953 0.03 Uiso calc U . R 1 . .
H H61C 0.852916 0.791218 0.271209 0.03 Uiso calc U . R 1 . .
C C62 1.0065(3) 1.00550(16) 0.31935(13) 0.0346(9) Uani d . . . 1 . .
H H62A 1.061073 0.982779 0.336 0.052 Uiso calc U . R 1 . .
H H62B 1.044223 1.033623 0.300825 0.052 Uiso calc U . R 1 . .
H H62C 0.958788 1.024626 0.340993 0.052 Uiso calc U . R 1 . .
C C63 0.7048(3) 0.98142(13) 0.20228(12) 0.0233(7) Uani d . . . 1 . .
H H63A 0.632161 0.966489 0.209758 0.035 Uiso calc U . R 1 . .
H H63B 0.721525 0.972132 0.170679 0.035 Uiso calc U . R 1 . .
H H63C 0.704969 1.022443 0.206151 0.035 Uiso calc U . R 1 . .
C C64 0.3052(3) 0.94978(15) 0.19760(12) 0.0268(8) Uani d . . . 1 . .
H H64 0.269211 0.936242 0.168809 0.032 Uiso calc U . R 1 . .
C C65 0.3888(3) 0.98820(14) 0.19139(12) 0.0285(8) Uani d . . . 1 . .
H H65 0.40253 0.997489 0.158812 0.034 Uiso calc U . R 1 . .
C C66 0.4207(4) 1.03437(15) 0.22406(14) 0.0369(10) Uani d . . . 1 . .
H H66A 0.363959 1.064258 0.222785 0.044 Uiso calc U . R 1 . .
H H66B 0.491034 1.051213 0.214363 0.044 Uiso calc U . R 1 . .
C C67 0.4336(4) 1.01375(15) 0.27319(13) 0.0354(10) Uani d . . . 1 . .
H H67A 0.488842 1.037489 0.289196 0.043 Uiso calc U . R 1 . .
H H67B 0.362679 1.018433 0.288804 0.043 Uiso calc U . R 1 . .
C C68 0.4690(3) 0.95232(15) 0.27649(11) 0.0250(8) Uani d . . . 1 . .
H H68 0.538853 0.946458 0.294243 0.03 Uiso calc U . R 1 . .
C C69 0.3953(3) 0.90695(15) 0.27904(11) 0.0257(8) Uani d . . . 1 . .
H H69 0.422211 0.875041 0.298444 0.031 Uiso calc U . R 1 . .
C C70 0.2716(3) 0.91208(17) 0.27634(13) 0.0334(9) Uani d . . . 1 . .
H H70A 0.244903 0.926318 0.305813 0.04 Uiso calc U . R 1 . .
H H70B 0.239711 0.874101 0.271523 0.04 Uiso calc U . R 1 . .
C C71 0.2297(3) 0.95102(17) 0.23852(12) 0.0316(9) Uani d . . . 1 . .
H H71A 0.154816 0.939185 0.228893 0.038 Uiso calc U . R 1 . .
H H71B 0.225132 0.990032 0.250277 0.038 Uiso calc U . R 1 . .
C C72 0.8063(4) 0.43163(18) 0.42351(14) 0.0430(11) Uani d . . . 1 . .
H H72 0.763097 0.457208 0.405963 0.052 Uiso calc U . R 1 . .
C C73 0.8916(4) 0.45161(18) 0.45087(14) 0.0446(12) Uani d . . . 1 . .
H H73 0.907064 0.490827 0.45218 0.054 Uiso calc U . R 1 . .
C C74 0.9537(4) 0.41419(18) 0.47608(13) 0.0386(10) Uani d . . . 1 . .
H H74 1.012207 0.427741 0.494842 0.046 Uiso calc U . R 1 . .
C C75 0.9321(3) 0.35791(17) 0.47445(13) 0.0352(10) Uani d . . . 1 . .
H H75 0.975365 0.332371 0.492024 0.042 Uiso calc U . R 1 . .
C C76 0.8472(3) 0.33809(17) 0.44714(13) 0.0339(9) Uani d . . . 1 . .
H H76 0.832223 0.298812 0.445957 0.041 Uiso calc U . R 1 . .
C C77 0.7842(3) 0.37468(18) 0.42173(13) 0.0354(9) Uani d . . . 1 . .
H H77 0.725707 0.36089 0.403034 0.043 Uiso calc U . R 1 . .
C C78 0.7708(4) 0.10557(18) 0.44102(14) 0.0451(12) Uani d . . . 1 . .
H H78 0.81659 0.131396 0.457166 0.054 Uiso calc U . R 1 . .
C C79 0.8166(4) 0.06080(16) 0.41809(13) 0.0378(10) Uani d . . . 1 . .
H H79 0.894041 0.055588 0.418678 0.045 Uiso calc U . R 1 . .
C C80 0.7501(3) 0.02359(16) 0.39431(13) 0.0324(9) Uani d . . . 1 . .
H H80 0.781928 -0.007172 0.378585 0.039 Uiso calc U . R 1 . .
C C81 0.6371(4) 0.03095(16) 0.39328(14) 0.0362(10) Uani d . . . 1 . .
H H81 0.591022 0.005587 0.376786 0.043 Uiso calc U . R 1 . .
C C82 0.5925(4) 0.07571(18) 0.41661(15) 0.0426(11) Uani d . . . 1 . .
H H82 0.515103 0.081153 0.416257 0.051 Uiso calc U . R 1 . .
C C83 0.6593(5) 0.11252(18) 0.44037(14) 0.0486(13) Uani d . . . 1 . .
H H83 0.627617 0.143031 0.456461 0.058 Uiso calc U . R 1 . .
C C84 0.2668(3) 0.12912(16) 0.31488(13) 0.0316(9) Uani d . . . 1 . .
H H84 0.327917 0.126944 0.29528 0.038 Uiso calc U . R 1 . .
C C85 0.2695(4) 0.10109(16) 0.35552(15) 0.0384(10) Uani d . . . 1 . .
H H85 0.332729 0.079899 0.364176 0.046 Uiso calc U . R 1 . .
C C86 0.1799(4) 0.10362(17) 0.38414(14) 0.0420(11) Uani d . . . 1 . .
H H86 0.181365 0.084197 0.412387 0.05 Uiso calc U . R 1 . .
C C87 0.0881(4) 0.13480(17) 0.37107(15) 0.0403(11) Uani d . . . 1 . .
H H87 0.026578 0.137315 0.390461 0.048 Uiso calc U . R 1 . .
C C88 0.0871(3) 0.16196(16) 0.32984(14) 0.0346(9) Uani d . . . 1 . .
H H88 0.023332 0.182204 0.320344 0.042 Uiso calc U . R 1 . .
C C89 0.1766(3) 0.16028(16) 0.30221(13) 0.0314(9) Uani d . . . 1 . .
H H89 0.176181 0.180631 0.274402 0.038 Uiso calc U . R 1 . .
C C90 0.5486(4) 0.47054(16) 0.46475(14) 0.0396(11) Uani d . . . 1 . .
H H90 0.581683 0.450361 0.440652 0.048 Uiso calc U . R 1 . .
C C91 0.6093(4) 0.48471(17) 0.50316(14) 0.0403(10) Uani d . . . 1 . .
H H91 0.684617 0.474342 0.505478 0.048 Uiso calc U . R 1 . .
C C92 0.5610(4) 0.51386(16) 0.53818(14) 0.0412(11) Uani d . . . 1 . .
H H92 0.603348 0.523316 0.564519 0.049 Uiso calc U . R 1 . .
Cl Cl1 0.80839(7) 0.72141(4) 0.49678(3) 0.02423(18) Uani d . . . 1 . .
Cl Cl2 0.63666(8) 0.69977(3) 0.28945(3) 0.02599(19) Uani d . . . 1 . .
Cl Cl3 0.48941(7) 0.88457(4) 0.13591(3) 0.02475(18) Uani d . . . 1 . .
Ge Ge1 0.71698(3) 0.76699(2) 0.39034(2) 0.01522(7) Uani d . . . 1 . .
Ge Ge2 0.59910(3) 0.83673(2) 0.24049(2) 0.01346(7) Uani d . . . 1 . .
N N1 0.5772(2) 0.76636(11) 0.42870(8) 0.0162(5) Uani d . . . 1 . .
N N2 0.6091(2) 0.67318(11) 0.42835(9) 0.0197(6) Uani d . . . 1 . .
N N3 0.7509(2) 0.63712(11) 0.39302(9) 0.0205(6) Uani d . . . 1 . .
N N4 0.7397(2) 0.85992(10) 0.20804(8) 0.0149(5) Uani d . . . 1 . .
N N5 0.6833(2) 0.79306(10) 0.15894(8) 0.0143(5) Uani d . . . 1 . .
N N6 0.5282(2) 0.74682(11) 0.16929(8) 0.0158(5) Uani d . . . 1 . .
O O1 0.6766(2) 0.91209(10) 0.34572(9) 0.0375(7) Uani d . . . 1 . .
Rh Rh1 0.86543(2) 0.79319(2) 0.44492(2) 0.01897(6) Uani d . . . 1 . .
Rh Rh2 0.65662(2) 0.79532(2) 0.31380(2) 0.01365(5) Uani d . . . 1 . .
Rh Rh3 0.46329(2) 0.90897(2) 0.21401(2) 0.01662(6) Uani d . . . 1 . .


_geom_special_details            
;

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 N3 . 1.320(4) ?
C1 N2 . 1.379(4) ?
C1 Ge1 . 1.997(3) ?
C2 N3 . 1.486(4) ?
C2 C8 . 1.517(4) ?
C2 C3 . 1.525(5) ?
C2 C7 . 1.532(5) ?
C3 C4 . 1.537(5) ?
C3 H3A . 0.99 ?
C3 H3B . 0.99 ?
C4 C10 . 1.516(5) ?
C4 C5 . 1.519(6) ?
C4 H4 . 1.0 ?
C5 C6 . 1.516(6) ?
C5 H5A . 0.99 ?
C5 H5B . 0.99 ?
C6 C11 . 1.521(5) ?
C6 C7 . 1.527(5) ?
C6 H6 . 1.0 ?
C7 H7A . 0.99 ?
C7 H7B . 0.99 ?
C8 C9 . 1.543(5) ?
C8 H8A . 0.99 ?
C8 H8B . 0.99 ?
C9 C10 . 1.530(5) ?
C9 C11 . 1.532(5) ?
C9 H9 . 1.0 ?
C10 H10A . 0.99 ?
C10 H10B . 0.99 ?
C11 H11A . 0.99 ?
C11 H11B . 0.99 ?
C12 N3 . 1.484(4) ?
C12 C13 . 1.485(5) ?
C12 H12A . 0.99 ?
C12 H12B . 0.99 ?
C13 N2 . 1.474(4) ?
C13 H13A . 0.99 ?
C13 H13B . 0.99 ?
C14 N1 . 1.306(4) ?
C14 N2 . 1.386(4) ?
C14 C15 . 1.537(4) ?
C15 C18 . 1.528(5) ?
C15 C17 . 1.545(5) ?
C15 C16 . 1.548(5) ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 H18A . 0.98 ?
C18 H18B . 0.98 ?
C18 H18C . 0.98 ?
C19 C20 . 1.399(5) ?
C19 C26 . 1.403(5) ?
C19 N1 . 1.438(4) ?
C20 C22 . 1.388(5) ?
C20 C21 . 1.508(5) ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 C23 . 1.384(5) ?
C22 H22 . 0.95 ?
C23 C25 . 1.388(5) ?
C23 C24 . 1.511(5) ?
C24 H24A . 0.98 ?
C24 H24B . 0.98 ?
C24 H24C . 0.98 ?
C25 C26 . 1.393(5) ?
C25 H25 . 0.95 ?
C26 C27 . 1.498(5) ?
C27 H27A . 0.98 ?
C27 H27B . 0.98 ?
C27 H27C . 0.98 ?
C28 C29 . 1.386(6) ?
C28 C35 . 1.526(6) ?
C28 Rh1 . 2.201(4) ?
C28 H28 . 1.0 ?
C29 C30 . 1.496(6) ?
C29 Rh1 . 2.202(3) ?
C29 H29 . 1.0 ?
C30 C31 . 1.513(6) ?
C30 H30A . 0.99 ?
C30 H30B . 0.99 ?
C31 C32 . 1.512(5) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 C33 . 1.396(5) ?
C32 Rh1 . 2.108(3) ?
C32 H32 . 1.0 ?
C33 C34 . 1.506(6) ?
C33 Rh1 . 2.106(3) ?
C33 H33 . 1.0 ?
C34 C35 . 1.512(6) ?
C34 H34A . 0.99 ?
C34 H34B . 0.99 ?
C35 H35A . 0.99 ?
C35 H35B . 0.99 ?
C36 O1 . 1.150(4) ?
C36 Rh2 . 1.784(3) ?
C37 N6 . 1.318(4) ?
C37 N5 . 1.374(4) ?
C37 Ge2 . 2.001(3) ?
C38 N6 . 1.488(4) ?
C38 C44 . 1.523(4) ?
C38 C39 . 1.530(4) ?
C38 C43 . 1.540(4) ?
C39 C40 . 1.537(5) ?
C39 H39A . 0.99 ?
C39 H39B . 0.99 ?
C40 C46 . 1.531(5) ?
C40 C41 . 1.532(5) ?
C40 H40 . 1.0 ?
C41 C42 . 1.534(5) ?
C41 H41A . 0.99 ?
C41 H41B . 0.99 ?
C42 C47 . 1.524(5) ?
C42 C43 . 1.533(5) ?
C42 H42 . 1.0 ?
C43 H43A . 0.99 ?
C43 H43B . 0.99 ?
C44 C45 . 1.532(5) ?
C44 H44A . 0.99 ?
C44 H44B . 0.99 ?
C45 C47 . 1.524(5) ?
C45 C46 . 1.531(5) ?
C45 H45 . 1.0 ?
C46 H46A . 0.99 ?
C46 H46B . 0.99 ?
C47 H47A . 0.99 ?
C47 H47B . 0.99 ?
C48 N6 . 1.475(4) ?
C48 C49 . 1.522(5) ?
C48 H48A . 0.99 ?
C48 H48B . 0.99 ?
C49 N5 . 1.488(4) ?
C49 H49A . 0.99 ?
C49 H49B . 0.99 ?
C50 N4 . 1.305(4) ?
C50 N5 . 1.391(4) ?
C50 C51 . 1.539(4) ?
C51 C54 . 1.536(5) ?
C51 C53 . 1.542(4) ?
C51 C52 . 1.550(5) ?
C52 H52A . 0.98 ?
C52 H52B . 0.98 ?
C52 H52C . 0.98 ?
C53 H53A . 0.98 ?
C53 H53B . 0.98 ?
C53 H53C . 0.98 ?
C54 H54A . 0.98 ?
C54 H54B . 0.98 ?
C54 H54C . 0.98 ?
C55 C60 . 1.399(4) ?
C55 C56 . 1.401(4) ?
C55 N4 . 1.442(4) ?
C56 C57 . 1.388(5) ?
C56 C63 . 1.499(5) ?
C57 C58 . 1.379(5) ?
C57 H57 . 0.95 ?
C58 C59 . 1.393(5) ?
C58 C62 . 1.507(5) ?
C59 C60 . 1.388(5) ?
C59 H59 . 0.95 ?
C60 C61 . 1.509(4) ?
C61 H61A . 0.98 ?
C61 H61B . 0.98 ?
C61 H61C . 0.98 ?
C62 H62A . 0.98 ?
C62 H62B . 0.98 ?
C62 H62C . 0.98 ?
C63 H63A . 0.98 ?
C63 H63B . 0.98 ?
C63 H63C . 0.98 ?
C64 C65 . 1.380(5) ?
C64 C71 . 1.526(5) ?
C64 Rh3 . 2.200(3) ?
C64 H64 . 1.0 ?
C65 C66 . 1.504(5) ?
C65 Rh3 . 2.186(3) ?
C65 H65 . 1.0 ?
C66 C67 . 1.532(5) ?
C66 H66A . 0.99 ?
C66 H66B . 0.99 ?
C67 C68 . 1.522(5) ?
C67 H67A . 0.99 ?
C67 H67B . 0.99 ?
C68 C69 . 1.404(5) ?
C68 Rh3 . 2.106(3) ?
C68 H68 . 1.0 ?
C69 C70 . 1.511(5) ?
C69 Rh3 . 2.097(3) ?
C69 H69 . 1.0 ?
C70 C71 . 1.527(5) ?
C70 H70A . 0.99 ?
C70 H70B . 0.99 ?
C71 H71A . 0.99 ?
C71 H71B . 0.99 ?
C72 C77 . 1.379(6) ?
C72 C73 . 1.386(6) ?
C72 H72 . 0.95 ?
C73 C74 . 1.375(6) ?
C73 H73 . 0.95 ?
C74 C75 . 1.361(5) ?
C74 H74 . 0.95 ?
C75 C76 . 1.381(6) ?
C75 H75 . 0.95 ?
C76 C77 . 1.372(5) ?
C76 H76 . 0.95 ?
C77 H77 . 0.95 ?
C78 C83 . 1.366(7) ?
C78 C79 . 1.380(6) ?
C78 H78 . 0.95 ?
C79 C80 . 1.380(5) ?
C79 H79 . 0.95 ?
C80 C81 . 1.385(6) ?
C80 H80 . 0.95 ?
C81 C82 . 1.380(5) ?
C81 H81 . 0.95 ?
C82 C83 . 1.376(6) ?
C82 H82 . 0.95 ?
C83 H83 . 0.95 ?
C84 C85 . 1.368(5) ?
C84 C89 . 1.369(5) ?
C84 H84 . 0.95 ?
C85 C86 . 1.390(6) ?
C85 H85 . 0.95 ?
C86 C87 . 1.388(6) ?
C86 H86 . 0.95 ?
C87 C88 . 1.373(6) ?
C87 H87 . 0.95 ?
C88 C89 . 1.370(5) ?
C88 H88 . 0.95 ?
C89 H89 . 0.95 ?
C90 C91 . 1.381(6) ?
C90 C92 3_666 1.386(6) ?
C90 H90 . 0.95 ?
C91 C92 . 1.380(6) ?
C91 H91 . 0.95 ?
C92 H92 . 0.95 ?
Cl1 Rh1 . 2.3965(8) ?
Cl2 Rh2 . 2.3887(8) ?
Cl3 Rh3 . 2.3955(8) ?
Ge1 N1 . 2.055(3) ?
Ge1 Rh2 . 2.4509(4) ?
Ge1 Rh1 . 2.4760(4) ?
Ge2 N4 . 2.047(3) ?
Ge2 Rh2 . 2.4611(4) ?
Ge2 Rh3 . 2.4963(4) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N3 C1 N2 . . 109.3(3) ?
N3 C1 Ge1 . . 138.4(2) ?
N2 C1 Ge1 . . 112.2(2) ?
N3 C2 C8 . . 111.7(3) ?
N3 C2 C3 . . 107.5(3) ?
C8 C2 C3 . . 108.8(3) ?
N3 C2 C7 . . 108.9(3) ?
C8 C2 C7 . . 109.6(3) ?
C3 C2 C7 . . 110.2(3) ?
C2 C3 C4 . . 109.6(3) ?
C2 C3 H3A . . 109.7 ?
C4 C3 H3A . . 109.7 ?
C2 C3 H3B . . 109.7 ?
C4 C3 H3B . . 109.7 ?
H3A C3 H3B . . 108.2 ?
C10 C4 C5 . . 109.6(3) ?
C10 C4 C3 . . 109.4(3) ?
C5 C4 C3 . . 109.6(4) ?
C10 C4 H4 . . 109.4 ?
C5 C4 H4 . . 109.4 ?
C3 C4 H4 . . 109.4 ?
C6 C5 C4 . . 109.5(3) ?
C6 C5 H5A . . 109.8 ?
C4 C5 H5A . . 109.8 ?
C6 C5 H5B . . 109.8 ?
C4 C5 H5B . . 109.8 ?
H5A C5 H5B . . 108.2 ?
C5 C6 C11 . . 109.6(3) ?
C5 C6 C7 . . 110.8(3) ?
C11 C6 C7 . . 109.2(3) ?
C5 C6 H6 . . 109.1 ?
C11 C6 H6 . . 109.1 ?
C7 C6 H6 . . 109.1 ?
C6 C7 C2 . . 108.9(3) ?
C6 C7 H7A . . 109.9 ?
C2 C7 H7A . . 109.9 ?
C6 C7 H7B . . 109.9 ?
C2 C7 H7B . . 109.9 ?
H7A C7 H7B . . 108.3 ?
C2 C8 C9 . . 109.0(3) ?
C2 C8 H8A . . 109.9 ?
C9 C8 H8A . . 109.9 ?
C2 C8 H8B . . 109.9 ?
C9 C8 H8B . . 109.9 ?
H8A C8 H8B . . 108.3 ?
C10 C9 C11 . . 109.3(3) ?
C10 C9 C8 . . 109.7(3) ?
C11 C9 C8 . . 109.7(3) ?
C10 C9 H9 . . 109.4 ?
C11 C9 H9 . . 109.4 ?
C8 C9 H9 . . 109.4 ?
C4 C10 C9 . . 109.0(3) ?
C4 C10 H10A . . 109.9 ?
C9 C10 H10A . . 109.9 ?
C4 C10 H10B . . 109.9 ?
C9 C10 H10B . . 109.9 ?
H10A C10 H10B . . 108.3 ?
C6 C11 C9 . . 108.9(3) ?
C6 C11 H11A . . 109.9 ?
C9 C11 H11A . . 109.9 ?
C6 C11 H11B . . 109.9 ?
C9 C11 H11B . . 109.9 ?
H11A C11 H11B . . 108.3 ?
N3 C12 C13 . . 102.6(3) ?
N3 C12 H12A . . 111.2 ?
C13 C12 H12A . . 111.2 ?
N3 C12 H12B . . 111.2 ?
C13 C12 H12B . . 111.2 ?
H12A C12 H12B . . 109.2 ?
N2 C13 C12 . . 102.0(3) ?
N2 C13 H13A . . 111.4 ?
C12 C13 H13A . . 111.4 ?
N2 C13 H13B . . 111.4 ?
C12 C13 H13B . . 111.4 ?
H13A C13 H13B . . 109.2 ?
N1 C14 N2 . . 112.9(3) ?
N1 C14 C15 . . 129.0(3) ?
N2 C14 C15 . . 118.1(3) ?
C18 C15 C14 . . 113.6(3) ?
C18 C15 C17 . . 107.8(3) ?
C14 C15 C17 . . 110.7(3) ?
C18 C15 C16 . . 105.4(3) ?
C14 C15 C16 . . 107.9(3) ?
C17 C15 C16 . . 111.3(3) ?
C15 C16 H16A . . 109.5 ?
C15 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C15 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C15 C17 H17A . . 109.5 ?
C15 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C15 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C15 C18 H18A . . 109.5 ?
C15 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C15 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C20 C19 C26 . . 121.3(3) ?
C20 C19 N1 . . 120.4(3) ?
C26 C19 N1 . . 118.2(3) ?
C22 C20 C19 . . 118.3(3) ?
C22 C20 C21 . . 120.4(3) ?
C19 C20 C21 . . 121.3(3) ?
C20 C21 H21A . . 109.5 ?
C20 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C20 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C23 C22 C20 . . 122.1(3) ?
C23 C22 H22 . . 119.0 ?
C20 C22 H22 . . 119.0 ?
C22 C23 C25 . . 118.4(3) ?
C22 C23 C24 . . 120.6(4) ?
C25 C23 C24 . . 121.0(4) ?
C23 C24 H24A . . 109.5 ?
C23 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C23 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C23 C25 C26 . . 122.0(4) ?
C23 C25 H25 . . 119.0 ?
C26 C25 H25 . . 119.0 ?
C25 C26 C19 . . 117.9(3) ?
C25 C26 C27 . . 120.0(3) ?
C19 C26 C27 . . 122.1(3) ?
C26 C27 H27A . . 109.5 ?
C26 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C26 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C29 C28 C35 . . 124.1(4) ?
C29 C28 Rh1 . . 71.7(2) ?
C35 C28 Rh1 . . 110.8(3) ?
C29 C28 H28 . . 114.2 ?
C35 C28 H28 . . 114.2 ?
Rh1 C28 H28 . . 114.2 ?
C28 C29 C30 . . 124.9(4) ?
C28 C29 Rh1 . . 71.6(2) ?
C30 C29 Rh1 . . 108.3(3) ?
C28 C29 H29 . . 114.5 ?
C30 C29 H29 . . 114.5 ?
Rh1 C29 H29 . . 114.5 ?
C29 C30 C31 . . 114.5(3) ?
C29 C30 H30A . . 108.6 ?
C31 C30 H30A . . 108.6 ?
C29 C30 H30B . . 108.6 ?
C31 C30 H30B . . 108.6 ?
H30A C30 H30B . . 107.6 ?
C32 C31 C30 . . 113.1(3) ?
C32 C31 H31A . . 109.0 ?
C30 C31 H31A . . 109.0 ?
C32 C31 H31B . . 109.0 ?
C30 C31 H31B . . 109.0 ?
H31A C31 H31B . . 107.8 ?
C33 C32 C31 . . 123.1(4) ?
C33 C32 Rh1 . . 70.6(2) ?
C31 C32 Rh1 . . 114.0(3) ?
C33 C32 H32 . . 114.0 ?
C31 C32 H32 . . 114.0 ?
Rh1 C32 H32 . . 114.0 ?
C32 C33 C34 . . 124.6(4) ?
C32 C33 Rh1 . . 70.7(2) ?
C34 C33 Rh1 . . 111.8(3) ?
C32 C33 H33 . . 114.0 ?
C34 C33 H33 . . 114.0 ?
Rh1 C33 H33 . . 114.0 ?
C33 C34 C35 . . 114.1(4) ?
C33 C34 H34A . . 108.7 ?
C35 C34 H34A . . 108.7 ?
C33 C34 H34B . . 108.7 ?
C35 C34 H34B . . 108.7 ?
H34A C34 H34B . . 107.6 ?
C34 C35 C28 . . 113.9(3) ?
C34 C35 H35A . . 108.8 ?
C28 C35 H35A . . 108.8 ?
C34 C35 H35B . . 108.8 ?
C28 C35 H35B . . 108.8 ?
H35A C35 H35B . . 107.7 ?
O1 C36 Rh2 . . 179.3(4) ?
N6 C37 N5 . . 110.1(3) ?
N6 C37 Ge2 . . 137.4(2) ?
N5 C37 Ge2 . . 112.1(2) ?
N6 C38 C44 . . 110.2(2) ?
N6 C38 C39 . . 109.8(3) ?
C44 C38 C39 . . 108.7(3) ?
N6 C38 C43 . . 109.1(3) ?
C44 C38 C43 . . 109.6(3) ?
C39 C38 C43 . . 109.5(3) ?
C38 C39 C40 . . 109.8(3) ?
C38 C39 H39A . . 109.7 ?
C40 C39 H39A . . 109.7 ?
C38 C39 H39B . . 109.7 ?
C40 C39 H39B . . 109.7 ?
H39A C39 H39B . . 108.2 ?
C46 C40 C41 . . 109.5(3) ?
C46 C40 C39 . . 109.5(3) ?
C41 C40 C39 . . 109.5(3) ?
C46 C40 H40 . . 109.4 ?
C41 C40 H40 . . 109.4 ?
C39 C40 H40 . . 109.4 ?
C40 C41 C42 . . 109.1(3) ?
C40 C41 H41A . . 109.9 ?
C42 C41 H41A . . 109.9 ?
C40 C41 H41B . . 109.9 ?
C42 C41 H41B . . 109.9 ?
H41A C41 H41B . . 108.3 ?
C47 C42 C43 . . 109.3(3) ?
C47 C42 C41 . . 110.5(3) ?
C43 C42 C41 . . 109.5(3) ?
C47 C42 H42 . . 109.2 ?
C43 C42 H42 . . 109.2 ?
C41 C42 H42 . . 109.2 ?
C42 C43 C38 . . 109.0(3) ?
C42 C43 H43A . . 109.9 ?
C38 C43 H43A . . 109.9 ?
C42 C43 H43B . . 109.9 ?
C38 C43 H43B . . 109.9 ?
H43A C43 H43B . . 108.3 ?
C38 C44 C45 . . 109.9(3) ?
C38 C44 H44A . . 109.7 ?
C45 C44 H44A . . 109.7 ?
C38 C44 H44B . . 109.7 ?
C45 C44 H44B . . 109.7 ?
H44A C44 H44B . . 108.2 ?
C47 C45 C46 . . 110.6(3) ?
C47 C45 C44 . . 109.0(3) ?
C46 C45 C44 . . 109.6(3) ?
C47 C45 H45 . . 109.2 ?
C46 C45 H45 . . 109.2 ?
C44 C45 H45 . . 109.2 ?
C45 C46 C40 . . 108.9(3) ?
C45 C46 H46A . . 109.9 ?
C40 C46 H46A . . 109.9 ?
C45 C46 H46B . . 109.9 ?
C40 C46 H46B . . 109.9 ?
H46A C46 H46B . . 108.3 ?
C45 C47 C42 . . 109.1(3) ?
C45 C47 H47A . . 109.9 ?
C42 C47 H47A . . 109.9 ?
C45 C47 H47B . . 109.9 ?
C42 C47 H47B . . 109.9 ?
H47A C47 H47B . . 108.3 ?
N6 C48 C49 . . 103.5(3) ?
N6 C48 H48A . . 111.1 ?
C49 C48 H48A . . 111.1 ?
N6 C48 H48B . . 111.1 ?
C49 C48 H48B . . 111.1 ?
H48A C48 H48B . . 109.0 ?
N5 C49 C48 . . 101.7(2) ?
N5 C49 H49A . . 111.4 ?
C48 C49 H49A . . 111.4 ?
N5 C49 H49B . . 111.4 ?
C48 C49 H49B . . 111.4 ?
H49A C49 H49B . . 109.3 ?
N4 C50 N5 . . 112.7(3) ?
N4 C50 C51 . . 128.2(3) ?
N5 C50 C51 . . 118.9(3) ?
C54 C51 C50 . . 114.4(3) ?
C54 C51 C53 . . 106.0(3) ?
C50 C51 C53 . . 111.2(3) ?
C54 C51 C52 . . 107.1(3) ?
C50 C51 C52 . . 106.3(3) ?
C53 C51 C52 . . 111.8(3) ?
C51 C52 H52A . . 109.5 ?
C51 C52 H52B . . 109.5 ?
H52A C52 H52B . . 109.5 ?
C51 C52 H52C . . 109.5 ?
H52A C52 H52C . . 109.5 ?
H52B C52 H52C . . 109.5 ?
C51 C53 H53A . . 109.5 ?
C51 C53 H53B . . 109.5 ?
H53A C53 H53B . . 109.5 ?
C51 C53 H53C . . 109.5 ?
H53A C53 H53C . . 109.5 ?
H53B C53 H53C . . 109.5 ?
C51 C54 H54A . . 109.5 ?
C51 C54 H54B . . 109.5 ?
H54A C54 H54B . . 109.5 ?
C51 C54 H54C . . 109.5 ?
H54A C54 H54C . . 109.5 ?
H54B C54 H54C . . 109.5 ?
C60 C55 C56 . . 121.5(3) ?
C60 C55 N4 . . 117.9(3) ?
C56 C55 N4 . . 120.2(3) ?
C57 C56 C55 . . 117.6(3) ?
C57 C56 C63 . . 120.8(3) ?
C55 C56 C63 . . 121.5(3) ?
C58 C57 C56 . . 122.9(3) ?
C58 C57 H57 . . 118.6 ?
C56 C57 H57 . . 118.6 ?
C57 C58 C59 . . 117.8(3) ?
C57 C58 C62 . . 121.3(3) ?
C59 C58 C62 . . 120.8(3) ?
C60 C59 C58 . . 122.2(3) ?
C60 C59 H59 . . 118.9 ?
C58 C59 H59 . . 118.9 ?
C59 C60 C55 . . 118.0(3) ?
C59 C60 C61 . . 120.5(3) ?
C55 C60 C61 . . 121.5(3) ?
C60 C61 H61A . . 109.5 ?
C60 C61 H61B . . 109.5 ?
H61A C61 H61B . . 109.5 ?
C60 C61 H61C . . 109.5 ?
H61A C61 H61C . . 109.5 ?
H61B C61 H61C . . 109.5 ?
C58 C62 H62A . . 109.5 ?
C58 C62 H62B . . 109.5 ?
H62A C62 H62B . . 109.5 ?
C58 C62 H62C . . 109.5 ?
H62A C62 H62C . . 109.5 ?
H62B C62 H62C . . 109.5 ?
C56 C63 H63A . . 109.5 ?
C56 C63 H63B . . 109.5 ?
H63A C63 H63B . . 109.5 ?
C56 C63 H63C . . 109.5 ?
H63A C63 H63C . . 109.5 ?
H63B C63 H63C . . 109.5 ?
C65 C64 C71 . . 123.1(3) ?
C65 C64 Rh3 . . 71.1(2) ?
C71 C64 Rh3 . . 111.7(2) ?
C65 C64 H64 . . 114.4 ?
C71 C64 H64 . . 114.4 ?
Rh3 C64 H64 . . 114.4 ?
C64 C65 C66 . . 125.4(4) ?
C64 C65 Rh3 . . 72.2(2) ?
C66 C65 Rh3 . . 109.3(2) ?
C64 C65 H65 . . 114.0 ?
C66 C65 H65 . . 114.0 ?
Rh3 C65 H65 . . 114.0 ?
C65 C66 C67 . . 113.1(3) ?
C65 C66 H66A . . 109.0 ?
C67 C66 H66A . . 109.0 ?
C65 C66 H66B . . 109.0 ?
C67 C66 H66B . . 109.0 ?
H66A C66 H66B . . 107.8 ?
C68 C67 C66 . . 113.0(3) ?
C68 C67 H67A . . 109.0 ?
C66 C67 H67A . . 109.0 ?
C68 C67 H67B . . 109.0 ?
C66 C67 H67B . . 109.0 ?
H67A C67 H67B . . 107.8 ?
C69 C68 C67 . . 123.9(3) ?
C69 C68 Rh3 . . 70.13(19) ?
C67 C68 Rh3 . . 114.0(2) ?
C69 C68 H68 . . 113.8 ?
C67 C68 H68 . . 113.8 ?
Rh3 C68 H68 . . 113.8 ?
C68 C69 C70 . . 124.9(3) ?
C68 C69 Rh3 . . 70.86(19) ?
C70 C69 Rh3 . . 110.9(2) ?
C68 C69 H69 . . 114.1 ?
C70 C69 H69 . . 114.1 ?
Rh3 C69 H69 . . 114.1 ?
C69 C70 C71 . . 114.0(3) ?
C69 C70 H70A . . 108.7 ?
C71 C70 H70A . . 108.7 ?
C69 C70 H70B . . 108.7 ?
C71 C70 H70B . . 108.7 ?
H70A C70 H70B . . 107.6 ?
C64 C71 C70 . . 111.4(3) ?
C64 C71 H71A . . 109.3 ?
C70 C71 H71A . . 109.3 ?
C64 C71 H71B . . 109.3 ?
C70 C71 H71B . . 109.3 ?
H71A C71 H71B . . 108.0 ?
C77 C72 C73 . . 120.1(4) ?
C77 C72 H72 . . 120.0 ?
C73 C72 H72 . . 120.0 ?
C74 C73 C72 . . 119.4(4) ?
C74 C73 H73 . . 120.3 ?
C72 C73 H73 . . 120.3 ?
C75 C74 C73 . . 120.7(4) ?
C75 C74 H74 . . 119.6 ?
C73 C74 H74 . . 119.6 ?
C74 C75 C76 . . 119.8(4) ?
C74 C75 H75 . . 120.1 ?
C76 C75 H75 . . 120.1 ?
C77 C76 C75 . . 120.5(4) ?
C77 C76 H76 . . 119.7 ?
C75 C76 H76 . . 119.7 ?
C76 C77 C72 . . 119.5(4) ?
C76 C77 H77 . . 120.2 ?
C72 C77 H77 . . 120.2 ?
C83 C78 C79 . . 119.6(4) ?
C83 C78 H78 . . 120.2 ?
C79 C78 H78 . . 120.2 ?
C78 C79 C80 . . 120.1(4) ?
C78 C79 H79 . . 119.9 ?
C80 C79 H79 . . 119.9 ?
C79 C80 C81 . . 120.2(4) ?
C79 C80 H80 . . 119.9 ?
C81 C80 H80 . . 119.9 ?
C82 C81 C80 . . 118.9(4) ?
C82 C81 H81 . . 120.5 ?
C80 C81 H81 . . 120.5 ?
C83 C82 C81 . . 120.5(5) ?
C83 C82 H82 . . 119.8 ?
C81 C82 H82 . . 119.8 ?
C78 C83 C82 . . 120.6(4) ?
C78 C83 H83 . . 119.7 ?
C82 C83 H83 . . 119.7 ?
C85 C84 C89 . . 120.6(4) ?
C85 C84 H84 . . 119.7 ?
C89 C84 H84 . . 119.7 ?
C84 C85 C86 . . 120.0(4) ?
C84 C85 H85 . . 120.0 ?
C86 C85 H85 . . 120.0 ?
C87 C86 C85 . . 119.4(4) ?
C87 C86 H86 . . 120.3 ?
C85 C86 H86 . . 120.3 ?
C88 C87 C86 . . 119.4(4) ?
C88 C87 H87 . . 120.3 ?
C86 C87 H87 . . 120.3 ?
C89 C88 C87 . . 120.9(4) ?
C89 C88 H88 . . 119.5 ?
C87 C88 H88 . . 119.5 ?
C84 C89 C88 . . 119.7(4) ?
C84 C89 H89 . . 120.2 ?
C88 C89 H89 . . 120.2 ?
C91 C90 C92 . 3_666 119.1(4) ?
C91 C90 H90 . . 120.4 ?
C92 C90 H90 3_666 . 120.4 ?
C92 C91 C90 . . 120.3(4) ?
C92 C91 H91 . . 119.8 ?
C90 C91 H91 . . 119.8 ?
C91 C92 C90 . 3_666 120.5(4) ?
C91 C92 H92 . . 119.7 ?
C90 C92 H92 3_666 . 119.7 ?
C1 Ge1 N1 . . 78.78(12) ?
C1 Ge1 Rh2 . . 113.04(9) ?
N1 Ge1 Rh2 . . 105.56(7) ?
C1 Ge1 Rh1 . . 102.57(9) ?
N1 Ge1 Rh1 . . 104.29(7) ?
Rh2 Ge1 Rh1 . . 137.002(17) ?
C37 Ge2 N4 . . 78.84(12) ?
C37 Ge2 Rh2 . . 115.94(8) ?
N4 Ge2 Rh2 . . 106.74(7) ?
C37 Ge2 Rh3 . . 100.43(9) ?
N4 Ge2 Rh3 . . 102.92(7) ?
Rh2 Ge2 Rh3 . . 136.459(16) ?
C14 N1 C19 . . 126.4(3) ?
C14 N1 Ge1 . . 116.6(2) ?
C19 N1 Ge1 . . 116.4(2) ?
C1 N2 C14 . . 119.4(3) ?
C1 N2 C13 . . 109.0(3) ?
C14 N2 C13 . . 129.3(3) ?
C1 N3 C12 . . 110.6(3) ?
C1 N3 C2 . . 129.2(3) ?
C12 N3 C2 . . 119.8(3) ?
C50 N4 C55 . . 127.4(3) ?
C50 N4 Ge2 . . 116.8(2) ?
C55 N4 Ge2 . . 115.43(19) ?
C37 N5 C50 . . 119.4(3) ?
C37 N5 C49 . . 110.3(2) ?
C50 N5 C49 . . 130.2(2) ?
C37 N6 C48 . . 111.4(3) ?
C37 N6 C38 . . 127.8(3) ?
C48 N6 C38 . . 120.3(2) ?
C33 Rh1 C32 . . 38.71(14) ?
C33 Rh1 C28 . . 81.64(15) ?
C32 Rh1 C28 . . 89.82(15) ?
C33 Rh1 C29 . . 97.04(15) ?
C32 Rh1 C29 . . 81.48(14) ?
C28 Rh1 C29 . . 36.69(15) ?
C33 Rh1 Cl1 . . 160.02(11) ?
C32 Rh1 Cl1 . . 161.19(11) ?
C28 Rh1 Cl1 . . 93.18(10) ?
C29 Rh1 Cl1 . . 89.89(10) ?
C33 Rh1 Ge1 . . 87.08(11) ?
C32 Rh1 Ge1 . . 93.01(10) ?
C28 Rh1 Ge1 . . 158.14(11) ?
C29 Rh1 Ge1 . . 164.86(12) ?
Cl1 Rh1 Ge1 . . 91.08(2) ?
C36 Rh2 Cl2 . . 178.63(12) ?
C36 Rh2 Ge1 . . 86.83(10) ?
Cl2 Rh2 Ge1 . . 92.45(2) ?
C36 Rh2 Ge2 . . 85.56(10) ?
Cl2 Rh2 Ge2 . . 95.17(2) ?
Ge1 Rh2 Ge2 . . 172.380(15) ?
C69 Rh3 C68 . . 39.01(14) ?
C69 Rh3 C65 . . 97.46(14) ?
C68 Rh3 C65 . . 81.56(13) ?
C69 Rh3 C64 . . 81.61(13) ?
C68 Rh3 C64 . . 89.59(14) ?
C65 Rh3 C64 . . 36.69(14) ?
C69 Rh3 Cl3 . . 158.41(11) ?
C68 Rh3 Cl3 . . 162.16(11) ?
C65 Rh3 Cl3 . . 88.66(10) ?
C64 Rh3 Cl3 . . 91.43(9) ?
C69 Rh3 Ge2 . . 88.19(10) ?
C68 Rh3 Ge2 . . 92.91(10) ?
C65 Rh3 Ge2 . . 162.62(11) ?
C64 Rh3 Ge2 . . 160.47(10) ?
Cl3 Rh3 Ge2 . . 92.06(2) ?

####################################################################### 
# 
# 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_rei137
_database_code_depnum_ccdc_archive 'CCDC 1889622'
_audit_update_record             
;
2019-01-09 deposited with the CCDC.
2019-02-07 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H63 Cl2 Ge Ir2 N3'
_chemical_formula_iupac          ?
_chemical_formula_weight         1149.85

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.4041(4)
_cell_length_b                   14.8542(5)
_cell_length_c                   22.8415(8)
_cell_angle_alpha                90
_cell_angle_beta                 94.2923(18)
_cell_angle_gamma                90
_cell_volume                     4196.8(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9990
_cell_measurement_theta_min      2.7110
_cell_measurement_theta_max      29.2948
_cell_measurement_temperature    153.(2)

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.160
_exptl_crystal_density_diffrn    1.820
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2248

_exptl_absorpt_coefficient_mu    7.199
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.27
_exptl_absorpt_correction_T_max  0.39

_exptl_special_details           
;
;

_diffrn_ambient_temperature      153.(2)

_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              'Bruker KappaCCD'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  graphite

_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 8.3333

_diffrn_reflns_number            12977
_diffrn_reflns_av_R_equivalents  0.0902
_diffrn_reflns_av_unetI/netI     0.0730
_diffrn_reflns_theta_min         2.14
_diffrn_reflns_theta_max         30.84
_diffrn_reflns_theta_full        30.84
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.984
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       32

_refine_special_details          
;
;

_reflns_number_total             12977
_reflns_number_gt                9229
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0465
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0975
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_refine_ls_number_reflns         12977
_refine_ls_number_parameters     466
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0262P)²+10.4319P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.476
_refine_diff_density_min         -1.367
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
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'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2016)'
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2016)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2016)'
_computing_structure_solution    'SHELXT (Bruker AXS Inc., 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2016)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2016)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir Ir1 0.93760(2) 0.26151(2) 0.10340(2) 0.01660(5) Uani d . . . 1 . .
Ir Ir2 0.55415(2) 0.25151(2) 0.09061(2) 0.01518(5) Uani d . . . 1 . .
Ge Ge1 0.74387(4) 0.30833(3) 0.09668(2) 0.01333(11) Uani d . . . 1 . .
C C1 0.7468(4) 0.4011(3) 0.0343(2) 0.0136(10) Uani d . . . 1 . .
C C2 0.7468(5) 0.4986(3) -0.0447(2) 0.0211(11) Uani d . . . 1 . .
H H2A 0.673297 0.514206 -0.061387 0.025 Uiso calc U . R 1 . .
H H2B 0.799167 0.508472 -0.074696 0.025 Uiso calc U . R 1 . .
C C3 0.7775(5) 0.5518(3) 0.0110(2) 0.0201(11) Uani d . . . 1 . .
H H3A 0.855565 0.566583 0.014556 0.024 Uiso calc U . R 1 . .
H H3B 0.735027 0.608085 0.012407 0.024 Uiso calc U . R 1 . .
C C4 0.7477(4) 0.4987(3) 0.1178(2) 0.0161(10) Uani d . . . 1 . .
C C5 0.7508(4) 0.5951(3) 0.1415(2) 0.0191(11) Uani d . . . 1 . .
C C6 0.8569(5) 0.6414(4) 0.1256(3) 0.0286(13) Uani d . . . 1 . .
H H6A 0.91789 0.600372 0.134031 0.043 Uiso calc U . R 1 . .
H H6B 0.868307 0.696448 0.14887 0.043 Uiso calc U . R 1 . .
H H6C 0.851331 0.65671 0.08371 0.043 Uiso calc U . R 1 . .
C C7 0.6488(5) 0.6457(4) 0.1169(3) 0.0255(12) Uani d . . . 1 . .
H H7A 0.643795 0.642823 0.073869 0.038 Uiso calc U . R 1 . .
H H7B 0.653099 0.708742 0.129435 0.038 Uiso calc U . R 1 . .
H H7C 0.584568 0.617674 0.131567 0.038 Uiso calc U . R 1 . .
C C8 0.7517(5) 0.6025(4) 0.2094(2) 0.0254(12) Uani d . . . 1 . .
H H8A 0.689811 0.569647 0.222949 0.038 Uiso calc U . R 1 . .
H H8B 0.747073 0.665985 0.220574 0.038 Uiso calc U . R 1 . .
H H8C 0.818913 0.576581 0.227358 0.038 Uiso calc U . R 1 . .
C C9 0.7325(4) 0.4125(3) 0.2088(2) 0.0189(11) Uani d . . . 1 . .
C C10 0.6288(5) 0.4098(3) 0.2300(3) 0.0238(12) Uani d . . . 1 . .
C C11 0.5268(5) 0.4267(4) 0.1901(3) 0.0291(14) Uani d . . . 1 . .
H H11A 0.463639 0.424895 0.213403 0.044 Uiso calc U . R 1 . .
H H11B 0.51982 0.380128 0.15969 0.044 Uiso calc U . R 1 . .
H H11C 0.531442 0.48597 0.171627 0.044 Uiso calc U . R 1 . .
C C12 0.6213(5) 0.3975(3) 0.2901(3) 0.0278(13) Uani d . . . 1 . .
H H12 0.551659 0.395756 0.304836 0.033 Uiso calc U . R 1 . .
C C13 0.7115(5) 0.3877(3) 0.3292(2) 0.0266(13) Uani d . . . 1 . .
C C14 0.7024(7) 0.3825(4) 0.3947(3) 0.0415(18) Uani d . . . 1 . .
H H14A 0.710643 0.442942 0.411689 0.062 Uiso calc U . R 1 . .
H H14B 0.759215 0.343107 0.412354 0.062 Uiso calc U . R 1 . .
H H14C 0.631416 0.358269 0.402471 0.062 Uiso calc U . R 1 . .
C C15 0.8119(5) 0.3874(3) 0.3061(2) 0.0242(12) Uani d . . . 1 . .
H H15 0.874555 0.378715 0.332076 0.029 Uiso calc U . R 1 . .
C C16 0.8249(5) 0.3991(3) 0.2469(2) 0.0196(11) Uani d . . . 1 . .
C C17 0.9372(5) 0.4023(4) 0.2258(3) 0.0294(13) Uani d . . . 1 . .
H H17A 0.990095 0.410461 0.259443 0.044 Uiso calc U . R 1 . .
H H17B 0.942409 0.452649 0.198435 0.044 Uiso calc U . R 1 . .
H H17C 0.952176 0.345753 0.205783 0.044 Uiso calc U . R 1 . .
C C18 0.7540(4) 0.3277(3) -0.0634(2) 0.0174(10) Uani d . . . 1 . .
C C19 0.6624(5) 0.3385(4) -0.1125(3) 0.0278(13) Uani d . . . 1 . .
H H19A 0.591473 0.339447 -0.09525 0.033 Uiso calc U . R 1 . .
H H19B 0.671188 0.395938 -0.133536 0.033 Uiso calc U . R 1 . .
C C20 0.8651(5) 0.3263(4) -0.0904(3) 0.0271(13) Uani d . . . 1 . .
H H20A 0.87662 0.383781 -0.111008 0.033 Uiso calc U . R 1 . .
H H20B 0.923916 0.318877 -0.059048 0.033 Uiso calc U . R 1 . .
C C21 0.7393(5) 0.2381(3) -0.0321(2) 0.0242(12) Uani d . . . 1 . .
H H21A 0.669142 0.237926 -0.014165 0.029 Uiso calc U . R 1 . .
H H21B 0.797452 0.23061 -0.000372 0.029 Uiso calc U . R 1 . .
C C22 0.7428(5) 0.1595(4) -0.0756(3) 0.0316(15) Uani d . . . 1 . .
H H22 0.732854 0.101463 -0.05452 0.038 Uiso calc U . R 1 . .
C C23 0.8514(5) 0.1588(4) -0.1025(3) 0.0330(15) Uani d . . . 1 . .
H H23A 0.91044 0.150454 -0.071401 0.04 Uiso calc U . R 1 . .
H H23B 0.853918 0.108252 -0.130681 0.04 Uiso calc U . R 1 . .
C C24 0.8659(5) 0.2474(4) -0.1339(3) 0.0309(14) Uani d . . . 1 . .
H H24 0.936893 0.246555 -0.151921 0.037 Uiso calc U . R 1 . .
C C25 0.7753(6) 0.2594(4) -0.1827(3) 0.0348(15) Uani d . . . 1 . .
H H25A 0.785103 0.316901 -0.203583 0.042 Uiso calc U . R 1 . .
H H25B 0.777195 0.209648 -0.211395 0.042 Uiso calc U . R 1 . .
C C26 0.6669(6) 0.2597(4) -0.1551(3) 0.0329(14) Uani d . . . 1 . .
H H26 0.60764 0.266844 -0.186873 0.04 Uiso calc U . R 1 . .
C C27 0.6510(5) 0.1715(4) -0.1236(3) 0.0338(15) Uani d . . . 1 . .
H H27A 0.651257 0.120969 -0.151884 0.041 Uiso calc U . R 1 . .
H H27B 0.580542 0.171747 -0.105968 0.041 Uiso calc U . R 1 . .
C C28 0.8988(4) 0.1249(4) 0.0963(3) 0.0233(12) Uani d . . . 1 . .
H H28 0.824915 0.113378 0.077124 0.028 Uiso calc U . R 1 . .
C C29 0.8984(4) 0.1514(3) 0.1558(2) 0.0182(11) Uani d . . . 1 . .
H H29 0.824755 0.15471 0.17075 0.022 Uiso calc U . R 1 . .
C C30 0.9876(5) 0.1311(4) 0.2021(3) 0.0271(13) Uani d . . . 1 . .
H H30A 0.982776 0.06711 0.213664 0.033 Uiso calc U . R 1 . .
H H30B 0.977007 0.168243 0.237218 0.033 Uiso calc U . R 1 . .
C C31 1.1015(5) 0.1494(4) 0.1819(3) 0.0293(13) Uani d . . . 1 . .
H H31A 1.151195 0.164637 0.216447 0.035 Uiso calc U . R 1 . .
H H31B 1.129011 0.094332 0.163745 0.035 Uiso calc U . R 1 . .
C C32 1.0999(4) 0.2262(4) 0.1380(3) 0.0242(12) Uani d . . . 1 . .
H H32 1.145625 0.278892 0.151214 0.029 Uiso calc U . R 1 . .
C C33 1.0913(4) 0.2129(4) 0.0774(3) 0.0263(13) Uani d . . . 1 . .
H H33 1.132281 0.257476 0.054911 0.032 Uiso calc U . R 1 . .
C C34 1.0791(5) 0.1220(4) 0.0489(3) 0.0338(15) Uani d . . . 1 . .
H H34A 1.147968 0.088559 0.055816 0.041 Uiso calc U . R 1 . .
H H34B 1.06494 0.130033 0.006033 0.041 Uiso calc U . R 1 . .
C C35 0.9870(5) 0.0655(4) 0.0722(3) 0.0327(15) Uani d . . . 1 . .
H H35A 0.954192 0.027433 0.039995 0.039 Uiso calc U . R 1 . .
H H35B 1.017339 0.025073 0.103718 0.039 Uiso calc U . R 1 . .
C C36 0.5812(5) 0.1798(4) 0.1695(2) 0.0230(12) Uani d . . . 1 . .
H H36 0.649504 0.196683 0.192947 0.028 Uiso calc U . R 1 . .
C C37 0.5966(4) 0.1211(3) 0.1218(3) 0.0236(12) Uani d . . . 1 . .
H H37 0.673775 0.104429 0.117591 0.028 Uiso calc U . R 1 . .
C C38 0.5158(5) 0.0485(4) 0.1018(3) 0.0350(15) Uani d . . . 1 . .
H H38A 0.476079 0.029112 0.135649 0.042 Uiso calc U . R 1 . .
H H38B 0.555284 -0.004337 0.087896 0.042 Uiso calc U . R 1 . .
C C39 0.4347(6) 0.0813(4) 0.0525(4) 0.0466(19) Uani d . . . 1 . .
H H39A 0.463899 0.068432 0.014176 0.056 Uiso calc U . R 1 . .
H H39B 0.366454 0.047222 0.054146 0.056 Uiso calc U . R 1 . .
C C40 0.4109(5) 0.1805(4) 0.0562(3) 0.0287(14) Uani d . . . 1 . .
H H40 0.375839 0.206798 0.019286 0.034 Uiso calc U . R 1 . .
C C41 0.3869(5) 0.2254(4) 0.1069(3) 0.0290(13) Uani d . . . 1 . .
H H41 0.337978 0.278446 0.099772 0.035 Uiso calc U . R 1 . .
C C42 0.3764(5) 0.1797(5) 0.1654(3) 0.0378(16) Uani d . . . 1 . .
H H42A 0.351939 0.116954 0.158233 0.045 Uiso calc U . R 1 . .
H H42B 0.320286 0.211096 0.186252 0.045 Uiso calc U . R 1 . .
C C43 0.4817(5) 0.1785(4) 0.2046(3) 0.0321(14) Uani d . . . 1 . .
H H43A 0.483568 0.231462 0.230987 0.039 Uiso calc U . R 1 . .
H H43B 0.483552 0.12375 0.229418 0.039 Uiso calc U . R 1 . .
Cl Cl1 0.99420(11) 0.40778(9) 0.07635(7) 0.0273(3) Uani d . . . 1 . .
Cl Cl2 0.50049(11) 0.37392(9) 0.02899(6) 0.0247(3) Uani d . . . 1 . .
N N1 0.7517(3) 0.4050(3) -0.02236(18) 0.0151(9) Uani d . . . 1 . .
N N2 0.7492(3) 0.4874(3) 0.05755(19) 0.0156(9) Uani d . . . 1 . .
N N3 0.7419(3) 0.4231(3) 0.14595(19) 0.0157(9) Uani d . . . 1 . .


_geom_special_details            
;

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ir1 C28 . 2.089(5) ?
Ir1 C29 . 2.105(5) ?
Ir1 C33 . 2.163(5) ?
Ir1 C32 . 2.172(5) ?
Ir1 Cl1 . 2.3793(13) ?
Ir1 Ge1 . 2.4954(6) ?
Ir2 C36 . 2.098(5) ?
Ir2 C37 . 2.117(5) ?
Ir2 C40 . 2.163(5) ?
Ir2 C41 . 2.170(6) ?
Ir2 Cl2 . 2.3643(13) ?
Ir2 Ge1 . 2.4942(6) ?
Ge1 C1 . 1.985(5) ?
Ge1 N3 . 2.044(4) ?
C1 N1 . 1.301(6) ?
C1 N2 . 1.387(6) ?
C2 N1 . 1.480(6) ?
C2 C3 . 1.522(7) ?
C2 H2A . 0.99 ?
C2 H2B . 0.99 ?
C3 N2 . 1.491(6) ?
C3 H3A . 0.99 ?
C3 H3B . 0.99 ?
C4 N3 . 1.298(6) ?
C4 N2 . 1.389(7) ?
C4 C5 . 1.530(7) ?
C5 C7 . 1.542(7) ?
C5 C6 . 1.552(7) ?
C5 C8 . 1.552(8) ?
C6 H6A . 0.98 ?
C6 H6B . 0.98 ?
C6 H6C . 0.98 ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C8 H8A . 0.98 ?
C8 H8B . 0.98 ?
C8 H8C . 0.98 ?
C9 C16 . 1.400(7) ?
C9 C10 . 1.408(8) ?
C9 N3 . 1.457(7) ?
C10 C12 . 1.396(8) ?
C10 C11 . 1.523(8) ?
C11 H11A . 0.98 ?
C11 H11B . 0.98 ?
C11 H11C . 0.98 ?
C12 C13 . 1.386(9) ?
C12 H12 . 0.95 ?
C13 C15 . 1.389(8) ?
C13 C14 . 1.510(8) ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C15 C16 . 1.386(7) ?
C15 H15 . 0.95 ?
C16 C17 . 1.509(8) ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 N1 . 1.483(6) ?
C18 C21 . 1.528(7) ?
C18 C19 . 1.544(7) ?
C18 C20 . 1.552(8) ?
C19 C26 . 1.526(8) ?
C19 H19A . 0.99 ?
C19 H19B . 0.99 ?
C20 C24 . 1.538(8) ?
C20 H20A . 0.99 ?
C20 H20B . 0.99 ?
C21 C22 . 1.535(7) ?
C21 H21A . 0.99 ?
C21 H21B . 0.99 ?
C22 C23 . 1.522(9) ?
C22 C27 . 1.531(9) ?
C22 H22 . 1.0 ?
C23 C24 . 1.516(8) ?
C23 H23A . 0.99 ?
C23 H23B . 0.99 ?
C24 C25 . 1.532(9) ?
C24 H24 . 1.0 ?
C25 C26 . 1.527(10) ?
C25 H25A . 0.99 ?
C25 H25B . 0.99 ?
C26 C27 . 1.514(8) ?
C26 H26 . 1.0 ?
C27 H27A . 0.99 ?
C27 H27B . 0.99 ?
C28 C29 . 1.415(8) ?
C28 C35 . 1.539(7) ?
C28 H28 . 1.0 ?
C29 C30 . 1.504(7) ?
C29 H29 . 1.0 ?
C30 C31 . 1.543(8) ?
C30 H30A . 0.99 ?
C30 H30B . 0.99 ?
C31 C32 . 1.517(8) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 C33 . 1.395(8) ?
C32 H32 . 1.0 ?
C33 C34 . 1.501(8) ?
C33 H33 . 1.0 ?
C34 C35 . 1.544(9) ?
C34 H34A . 0.99 ?
C34 H34B . 0.99 ?
C35 H35A . 0.99 ?
C35 H35B . 0.99 ?
C36 C37 . 1.420(8) ?
C36 C43 . 1.522(8) ?
C36 H36 . 1.0 ?
C37 C38 . 1.519(8) ?
C37 H37 . 1.0 ?
C38 C39 . 1.533(9) ?
C38 H38A . 0.99 ?
C38 H38B . 0.99 ?
C39 C40 . 1.506(8) ?
C39 H39A . 0.99 ?
C39 H39B . 0.99 ?
C40 C41 . 1.388(9) ?
C40 H40 . 1.0 ?
C41 C42 . 1.511(8) ?
C41 H41 . 1.0 ?
C42 C43 . 1.528(8) ?
C42 H42A . 0.99 ?
C42 H42B . 0.99 ?
C43 H43A . 0.99 ?
C43 H43B . 0.99 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C28 Ir1 C29 . . 39.4(2) ?
C28 Ir1 C33 . . 81.8(2) ?
C29 Ir1 C33 . . 98.2(2) ?
C28 Ir1 C32 . . 89.7(2) ?
C29 Ir1 C32 . . 81.5(2) ?
C33 Ir1 C32 . . 37.5(2) ?
C28 Ir1 Cl1 . . 159.65(16) ?
C29 Ir1 Cl1 . . 160.50(15) ?
C33 Ir1 Cl1 . . 87.16(16) ?
C32 Ir1 Cl1 . . 91.82(15) ?
C28 Ir1 Ge1 . . 92.91(15) ?
C29 Ir1 Ge1 . . 89.37(14) ?
C33 Ir1 Ge1 . . 160.18(17) ?
C32 Ir1 Ge1 . . 162.19(15) ?
Cl1 Ir1 Ge1 . . 91.78(4) ?
C36 Ir2 C37 . . 39.4(2) ?
C36 Ir2 C40 . . 97.9(2) ?
C37 Ir2 C40 . . 81.5(2) ?
C36 Ir2 C41 . . 81.7(2) ?
C37 Ir2 C41 . . 89.8(2) ?
C40 Ir2 C41 . . 37.4(2) ?
C36 Ir2 Cl2 . . 157.13(16) ?
C37 Ir2 Cl2 . . 162.92(16) ?
C40 Ir2 Cl2 . . 88.41(16) ?
C41 Ir2 Cl2 . . 90.54(16) ?
C36 Ir2 Ge1 . . 91.97(15) ?
C37 Ir2 Ge1 . . 94.64(15) ?
C40 Ir2 Ge1 . . 158.65(17) ?
C41 Ir2 Ge1 . . 163.95(17) ?
Cl2 Ir2 Ge1 . . 89.73(4) ?
C1 Ge1 N3 . . 79.52(18) ?
C1 Ge1 Ir2 . . 105.23(14) ?
N3 Ge1 Ir2 . . 105.23(12) ?
C1 Ge1 Ir1 . . 99.70(14) ?
N3 Ge1 Ir1 . . 104.47(12) ?
Ir2 Ge1 Ir1 . . 144.04(2) ?
N1 C1 N2 . . 109.8(4) ?
N1 C1 Ge1 . . 138.6(4) ?
N2 C1 Ge1 . . 111.5(3) ?
N1 C2 C3 . . 101.5(4) ?
N1 C2 H2A . . 111.5 ?
C3 C2 H2A . . 111.5 ?
N1 C2 H2B . . 111.5 ?
C3 C2 H2B . . 111.5 ?
H2A C2 H2B . . 109.3 ?
N2 C3 C2 . . 101.8(4) ?
N2 C3 H3A . . 111.4 ?
C2 C3 H3A . . 111.4 ?
N2 C3 H3B . . 111.4 ?
C2 C3 H3B . . 111.4 ?
H3A C3 H3B . . 109.3 ?
N3 C4 N2 . . 113.0(4) ?
N3 C4 C5 . . 129.5(5) ?
N2 C4 C5 . . 117.5(4) ?
C4 C5 C7 . . 109.2(4) ?
C4 C5 C6 . . 109.4(4) ?
C7 C5 C6 . . 112.6(5) ?
C4 C5 C8 . . 114.7(4) ?
C7 C5 C8 . . 105.9(5) ?
C6 C5 C8 . . 105.1(4) ?
C5 C6 H6A . . 109.5 ?
C5 C6 H6B . . 109.5 ?
H6A C6 H6B . . 109.5 ?
C5 C6 H6C . . 109.5 ?
H6A C6 H6C . . 109.5 ?
H6B C6 H6C . . 109.5 ?
C5 C7 H7A . . 109.5 ?
C5 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C5 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C5 C8 H8A . . 109.5 ?
C5 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C5 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C16 C9 C10 . . 120.6(5) ?
C16 C9 N3 . . 120.3(5) ?
C10 C9 N3 . . 119.0(5) ?
C12 C10 C9 . . 118.2(6) ?
C12 C10 C11 . . 119.8(5) ?
C9 C10 C11 . . 121.9(5) ?
C10 C11 H11A . . 109.5 ?
C10 C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C10 C11 H11C . . 109.5 ?
H11A C11 H11C . . 109.5 ?
H11B C11 H11C . . 109.5 ?
C13 C12 C10 . . 122.5(6) ?
C13 C12 H12 . . 118.8 ?
C10 C12 H12 . . 118.8 ?
C12 C13 C15 . . 117.4(5) ?
C12 C13 C14 . . 121.8(6) ?
C15 C13 C14 . . 120.8(6) ?
C13 C14 H14A . . 109.5 ?
C13 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C13 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C16 C15 C13 . . 122.9(5) ?
C16 C15 H15 . . 118.6 ?
C13 C15 H15 . . 118.6 ?
C15 C16 C9 . . 118.4(5) ?
C15 C16 C17 . . 119.5(5) ?
C9 C16 C17 . . 122.0(5) ?
C16 C17 H17A . . 109.5 ?
C16 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C16 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
N1 C18 C21 . . 111.8(4) ?
N1 C18 C19 . . 109.4(4) ?
C21 C18 C19 . . 108.8(4) ?
N1 C18 C20 . . 108.7(4) ?
C21 C18 C20 . . 108.3(4) ?
C19 C18 C20 . . 109.8(4) ?
C26 C19 C18 . . 108.9(5) ?
C26 C19 H19A . . 109.9 ?
C18 C19 H19A . . 109.9 ?
C26 C19 H19B . . 109.9 ?
C18 C19 H19B . . 109.9 ?
H19A C19 H19B . . 108.3 ?
C24 C20 C18 . . 108.4(5) ?
C24 C20 H20A . . 110.0 ?
C18 C20 H20A . . 110.0 ?
C24 C20 H20B . . 110.0 ?
C18 C20 H20B . . 110.0 ?
H20A C20 H20B . . 108.4 ?
C18 C21 C22 . . 110.5(5) ?
C18 C21 H21A . . 109.5 ?
C22 C21 H21A . . 109.5 ?
C18 C21 H21B . . 109.5 ?
C22 C21 H21B . . 109.5 ?
H21A C21 H21B . . 108.1 ?
C23 C22 C27 . . 110.1(5) ?
C23 C22 C21 . . 109.6(5) ?
C27 C22 C21 . . 108.6(5) ?
C23 C22 H22 . . 109.5 ?
C27 C22 H22 . . 109.5 ?
C21 C22 H22 . . 109.5 ?
C24 C23 C22 . . 108.9(5) ?
C24 C23 H23A . . 109.9 ?
C22 C23 H23A . . 109.9 ?
C24 C23 H23B . . 109.9 ?
C22 C23 H23B . . 109.9 ?
H23A C23 H23B . . 108.3 ?
C23 C24 C25 . . 109.8(5) ?
C23 C24 C20 . . 110.5(5) ?
C25 C24 C20 . . 109.9(5) ?
C23 C24 H24 . . 108.9 ?
C25 C24 H24 . . 108.9 ?
C20 C24 H24 . . 108.9 ?
C26 C25 C24 . . 108.7(5) ?
C26 C25 H25A . . 110.0 ?
C24 C25 H25A . . 110.0 ?
C26 C25 H25B . . 110.0 ?
C24 C25 H25B . . 110.0 ?
H25A C25 H25B . . 108.3 ?
C27 C26 C19 . . 110.4(5) ?
C27 C26 C25 . . 110.1(5) ?
C19 C26 C25 . . 109.9(5) ?
C27 C26 H26 . . 108.8 ?
C19 C26 H26 . . 108.8 ?
C25 C26 H26 . . 108.8 ?
C26 C27 C22 . . 108.9(5) ?
C26 C27 H27A . . 109.9 ?
C22 C27 H27A . . 109.9 ?
C26 C27 H27B . . 109.9 ?
C22 C27 H27B . . 109.9 ?
H27A C27 H27B . . 108.3 ?
C29 C28 C35 . . 123.8(5) ?
C29 C28 Ir1 . . 70.9(3) ?
C35 C28 Ir1 . . 114.8(4) ?
C29 C28 H28 . . 113.5 ?
C35 C28 H28 . . 113.5 ?
Ir1 C28 H28 . . 113.5 ?
C28 C29 C30 . . 124.4(5) ?
C28 C29 Ir1 . . 69.7(3) ?
C30 C29 Ir1 . . 111.5(4) ?
C28 C29 H29 . . 114.3 ?
C30 C29 H29 . . 114.3 ?
Ir1 C29 H29 . . 114.3 ?
C29 C30 C31 . . 113.4(5) ?
C29 C30 H30A . . 108.9 ?
C31 C30 H30A . . 108.9 ?
C29 C30 H30B . . 108.9 ?
C31 C30 H30B . . 108.9 ?
H30A C30 H30B . . 107.7 ?
C32 C31 C30 . . 111.3(5) ?
C32 C31 H31A . . 109.4 ?
C30 C31 H31A . . 109.4 ?
C32 C31 H31B . . 109.4 ?
C30 C31 H31B . . 109.4 ?
H31A C31 H31B . . 108.0 ?
C33 C32 C31 . . 123.1(5) ?
C33 C32 Ir1 . . 70.9(3) ?
C31 C32 Ir1 . . 112.8(4) ?
C33 C32 H32 . . 114.2 ?
C31 C32 H32 . . 114.2 ?
Ir1 C32 H32 . . 114.2 ?
C32 C33 C34 . . 123.7(5) ?
C32 C33 Ir1 . . 71.6(3) ?
C34 C33 Ir1 . . 110.9(4) ?
C32 C33 H33 . . 114.3 ?
C34 C33 H33 . . 114.3 ?
Ir1 C33 H33 . . 114.3 ?
C33 C34 C35 . . 113.2(5) ?
C33 C34 H34A . . 108.9 ?
C35 C34 H34A . . 108.9 ?
C33 C34 H34B . . 108.9 ?
C35 C34 H34B . . 108.9 ?
H34A C34 H34B . . 107.8 ?
C28 C35 C34 . . 112.0(5) ?
C28 C35 H35A . . 109.2 ?
C34 C35 H35A . . 109.2 ?
C28 C35 H35B . . 109.2 ?
C34 C35 H35B . . 109.2 ?
H35A C35 H35B . . 107.9 ?
C37 C36 C43 . . 123.9(5) ?
C37 C36 Ir2 . . 71.0(3) ?
C43 C36 Ir2 . . 112.1(4) ?
C37 C36 H36 . . 114.1 ?
C43 C36 H36 . . 114.1 ?
Ir2 C36 H36 . . 114.1 ?
C36 C37 C38 . . 122.9(5) ?
C36 C37 Ir2 . . 69.6(3) ?
C38 C37 Ir2 . . 114.0(4) ?
C36 C37 H37 . . 114.2 ?
C38 C37 H37 . . 114.2 ?
Ir2 C37 H37 . . 114.2 ?
C37 C38 C39 . . 112.1(5) ?
C37 C38 H38A . . 109.2 ?
C39 C38 H38A . . 109.2 ?
C37 C38 H38B . . 109.2 ?
C39 C38 H38B . . 109.2 ?
H38A C38 H38B . . 107.9 ?
C40 C39 C38 . . 112.9(5) ?
C40 C39 H39A . . 109.0 ?
C38 C39 H39A . . 109.0 ?
C40 C39 H39B . . 109.0 ?
C38 C39 H39B . . 109.0 ?
H39A C39 H39B . . 107.8 ?
C41 C40 C39 . . 125.0(6) ?
C41 C40 Ir2 . . 71.6(3) ?
C39 C40 Ir2 . . 109.8(4) ?
C41 C40 H40 . . 114.1 ?
C39 C40 H40 . . 114.1 ?
Ir2 C40 H40 . . 114.1 ?
C40 C41 C42 . . 123.9(6) ?
C40 C41 Ir2 . . 71.0(3) ?
C42 C41 Ir2 . . 112.2(4) ?
C40 C41 H41 . . 114.0 ?
C42 C41 H41 . . 114.0 ?
Ir2 C41 H41 . . 114.0 ?
C41 C42 C43 . . 113.4(5) ?
C41 C42 H42A . . 108.9 ?
C43 C42 H42A . . 108.9 ?
C41 C42 H42B . . 108.9 ?
C43 C42 H42B . . 108.9 ?
H42A C42 H42B . . 107.7 ?
C36 C43 C42 . . 112.4(5) ?
C36 C43 H43A . . 109.1 ?
C42 C43 H43A . . 109.1 ?
C36 C43 H43B . . 109.1 ?
C42 C43 H43B . . 109.1 ?
H43A C43 H43B . . 107.9 ?
C1 N1 C2 . . 112.4(4) ?
C1 N1 C18 . . 126.7(4) ?
C2 N1 C18 . . 120.8(4) ?
C1 N2 C4 . . 119.4(4) ?
C1 N2 C3 . . 108.6(4) ?
C4 N2 C3 . . 130.5(4) ?
C4 N3 C9 . . 126.3(4) ?
C4 N3 Ge1 . . 116.5(3) ?
C9 N3 Ge1 . . 117.2(3) ?

####################################################################### 
# 
# 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_rei881m
_database_code_depnum_ccdc_archive 'CCDC 1889623'
_audit_update_record             
;
2019-01-09 deposited with the CCDC.
2019-02-07 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C46.50 H67 Cl2 Ge N3 Rh2'
_chemical_formula_iupac          ?
_chemical_formula_weight         1017.34

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P b c a'
_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'
'-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                   12.0092(2)
_cell_length_b                   22.8477(5)
_cell_length_c                   31.5357(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     8652.8(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9790
_cell_measurement_theta_min      2.5440
_cell_measurement_theta_max      31.5819
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.060
_exptl_crystal_density_diffrn    1.562
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4184

_exptl_absorpt_coefficient_mu    1.604
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.75
_exptl_absorpt_correction_T_max  0.91

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            142040
_diffrn_reflns_av_R_equivalents  0.1002
_diffrn_reflns_av_unetI/netI     0.0615
_diffrn_reflns_theta_min         2.20
_diffrn_reflns_theta_max         32.59
_diffrn_reflns_theta_full        32.59
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_limit_l_max       47

_refine_special_details          
;
;

_reflns_number_total             15751
_reflns_number_gt                11212
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0428
_refine_ls_wR_factor_gt          0.0736
_refine_ls_wR_factor_ref         0.0872
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.034
_refine_ls_number_reflns         15751
_refine_ls_number_parameters     570
_refine_ls_number_restraints     253
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0223P)²+12.9447P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.916
_refine_diff_density_min         -0.927
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2017)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.4537(2) 0.37367(11) 0.42369(8) 0.0155(5) Uani d . . . 1.0 . .
C C2 0.3358(2) 0.40444(13) 0.47727(9) 0.0225(6) Uani d . . . 1.0 . .
H H2A 0.273219 0.377316 0.482855 0.027 Uiso calc U . R 1.0 . .
H H2B 0.31585 0.443961 0.487662 0.027 Uiso calc U . R 1.0 . .
C C3 0.4429(2) 0.38272(13) 0.49765(8) 0.0208(6) Uani d . . . 1.0 . .
H H3A 0.488765 0.415591 0.508277 0.025 Uiso calc U . R 1.0 . .
H H3B 0.427483 0.355252 0.52121 0.025 Uiso calc U . R 1.0 . .
C C4 0.5976(2) 0.32184(11) 0.45987(8) 0.0155(5) Uani d . . . 1.0 . .
C C5 0.7300(2) 0.28104(11) 0.40747(8) 0.0155(5) Uani d . . . 1.0 . .
C C6 0.8316(2) 0.30952(12) 0.40067(8) 0.0166(5) Uani d . . . 1.0 . .
C C7 0.8472(2) 0.37262(12) 0.41206(9) 0.0216(6) Uani d . . . 1.0 . .
H H7A 0.915141 0.377047 0.428992 0.032 Uiso d U . R 1.0 . .
H H7B 0.783021 0.386163 0.428533 0.032 Uiso d U . R 1.0 . .
H H7C 0.853687 0.39596 0.386099 0.032 Uiso d U . R 1.0 . .
C C8 0.9204(2) 0.27716(13) 0.38507(9) 0.0197(5) Uani d . . . 1.0 . .
H H8 0.989215 0.296395 0.379937 0.024 Uiso calc U . R 1.0 . .
C C9 0.9122(2) 0.21770(13) 0.37670(9) 0.0197(5) Uani d . . . 1.0 . .
C C10 1.0124(3) 0.18311(14) 0.36190(10) 0.0272(6) Uani d . . . 1.0 . .
H H10A 1.005533 0.175052 0.331485 0.041 Uiso calc U . R 1.0 . .
H H10B 1.016238 0.146082 0.377507 0.041 Uiso calc U . R 1.0 . .
H H10C 1.080264 0.20581 0.367105 0.041 Uiso calc U . R 1.0 . .
C C11 0.8093(2) 0.19080(13) 0.38338(9) 0.0218(6) Uani d . . . 1.0 . .
H H11 0.802019 0.150184 0.377559 0.026 Uiso calc U . R 1.0 . .
C C12 0.7172(2) 0.22144(12) 0.39829(9) 0.0178(5) Uani d . . . 1.0 . .
C C13 0.6079(2) 0.19083(12) 0.40528(10) 0.0247(6) Uani d . . . 1.0 . .
H H13A 0.615555 0.149339 0.397957 0.037 Uiso calc U . R 1.0 . .
H H13B 0.550653 0.208724 0.387317 0.037 Uiso calc U . R 1.0 . .
H H13C 0.586197 0.194466 0.435122 0.037 Uiso calc U . R 1.0 . .
C C14 0.6482(2) 0.29976(12) 0.50181(9) 0.0190(5) Uani d . . . 1.0 . .
C C15 0.7603(2) 0.26763(13) 0.49656(9) 0.0239(6) Uani d . . . 1.0 . .
H H15A 0.78773 0.255341 0.524443 0.036 Uiso calc U . R 1.0 . .
H H15B 0.814565 0.293998 0.483377 0.036 Uiso calc U . R 1.0 . .
H H15C 0.74985 0.233136 0.478526 0.036 Uiso calc U . R 1.0 . .
C C16 0.5675(3) 0.25624(14) 0.52271(10) 0.0271(7) Uani d . . . 1.0 . .
H H16A 0.555794 0.222801 0.503767 0.041 Uiso calc U . R 1.0 . .
H H16B 0.496137 0.275649 0.528121 0.041 Uiso calc U . R 1.0 . .
H H16C 0.599129 0.242511 0.549581 0.041 Uiso calc U . R 1.0 . .
C C17 0.6721(3) 0.35176(14) 0.53184(9) 0.0266(6) Uani d . . . 1.0 . .
H H17A 0.602193 0.365117 0.54466 0.04 Uiso calc U . R 1.0 . .
H H17B 0.705622 0.383885 0.515695 0.04 Uiso calc U . R 1.0 . .
H H17C 0.723469 0.339254 0.554211 0.04 Uiso calc U . R 1.0 . .
C C18 0.2974(2) 0.43986(12) 0.40107(9) 0.0175(5) Uani d . . . 1.0 . .
C C19 0.3191(3) 0.50553(13) 0.40847(11) 0.0298(7) Uani d . . . 1.0 . .
H H19A 0.399037 0.514263 0.404154 0.036 Uiso calc U . R 1.0 . .
H H19B 0.299229 0.516123 0.437959 0.036 Uiso calc U . R 1.0 . .
C C20 0.2482(3) 0.54148(14) 0.37710(11) 0.0331(8) Uani d . . . 1.0 . .
H H20 0.262193 0.584149 0.381746 0.04 Uiso calc U . R 1.0 . .
C C21 0.1257(3) 0.52839(16) 0.38423(11) 0.0366(8) Uani d . . . 1.0 . .
H H21A 0.079958 0.551985 0.364481 0.044 Uiso calc U . R 1.0 . .
H H21B 0.104654 0.539077 0.41358 0.044 Uiso calc U . R 1.0 . .
C C22 0.1035(2) 0.46343(16) 0.37688(10) 0.0312(7) Uani d . . . 1.0 . .
H H22 0.022672 0.455171 0.381506 0.037 Uiso calc U . R 1.0 . .
C C23 0.1731(2) 0.42683(15) 0.40822(10) 0.0275(7) Uani d . . . 1.0 . .
H H23A 0.152161 0.436806 0.437711 0.033 Uiso calc U . R 1.0 . .
H H23B 0.158456 0.384647 0.403715 0.033 Uiso calc U . R 1.0 . .
C C24 0.3288(2) 0.42471(14) 0.35574(9) 0.0249(6) Uani d . . . 1.0 . .
H H24A 0.316881 0.382387 0.350768 0.03 Uiso calc U . R 1.0 . .
H H24B 0.408608 0.433375 0.351045 0.03 Uiso calc U . R 1.0 . .
C C25 0.2579(2) 0.46025(14) 0.32460(9) 0.0258(6) Uani d . . . 1.0 . .
H H25 0.279074 0.449689 0.294893 0.031 Uiso calc U . R 1.0 . .
C C26 0.1353(3) 0.44635(15) 0.33163(10) 0.0292(7) Uani d . . . 1.0 . .
H H26A 0.121932 0.404031 0.327206 0.035 Uiso calc U . R 1.0 . .
H H26B 0.089152 0.468407 0.311113 0.035 Uiso calc U . R 1.0 . .
C C27 0.2790(3) 0.52538(15) 0.33176(11) 0.0313(7) Uani d . . . 1.0 . .
H H27A 0.358497 0.534382 0.3266 0.038 Uiso calc U . R 1.0 . .
H H27B 0.233733 0.548661 0.311661 0.038 Uiso calc U . R 1.0 . .
C C28 0.5439(2) 0.29153(12) 0.27783(8) 0.0198(5) Uani d . . . 1.0 . .
H H28 0.548076 0.330777 0.287646 0.024 Uiso calc U . R 1.0 . .
C C29 0.5968(2) 0.24821(12) 0.30155(9) 0.0202(6) Uani d . . . 1.0 . .
H H29 0.635834 0.260159 0.326284 0.024 Uiso calc U . R 1.0 . .
C C30 0.5968(3) 0.18374(13) 0.29098(10) 0.0291(7) Uani d . . . 1.0 . .
H H30A 0.64427 0.177332 0.265737 0.035 Uiso calc U . R 1.0 . .
H H30B 0.630469 0.161969 0.314904 0.035 Uiso calc U . R 1.0 . .
C C31 0.4825(3) 0.15896(15) 0.28226(13) 0.0389(9) Uani d . . . 1.0 . .
H H31A 0.481359 0.117353 0.291028 0.047 Uiso calc U . R 1.0 . .
H H31B 0.468513 0.160327 0.251338 0.047 Uiso calc U . R 1.0 . .
C C32 0.3888(3) 0.19101(14) 0.30488(11) 0.0287(7) Uani d . . . 1.0 . .
H H32 0.367383 0.178351 0.332394 0.034 Uiso calc U . R 1.0 . .
C C33 0.3341(2) 0.23741(15) 0.28705(10) 0.0293(7) Uani d . . . 1.0 . .
H H33 0.274751 0.254035 0.302905 0.035 Uiso calc U . R 1.0 . .
C C34 0.3595(3) 0.26480(19) 0.24432(11) 0.0417(9) Uani d . . . 1.0 . .
H H34A 0.335123 0.237491 0.221783 0.05 Uiso calc U . R 1.0 . .
H H34B 0.315011 0.30105 0.241428 0.05 Uiso calc U . R 1.0 . .
C C35 0.4800(3) 0.27956(15) 0.23713(10) 0.0298(7) Uani d . . . 1.0 . .
H H35A 0.484584 0.314527 0.218668 0.036 Uiso calc U . R 1.0 . .
H H35B 0.516038 0.246681 0.221973 0.036 Uiso calc U . R 1.0 . .
C C36 0.7692(2) 0.51918(12) 0.35476(9) 0.0206(6) Uani d . . . 1.0 . .
H H36 0.79783 0.510383 0.382104 0.025 Uiso calc U . R 1.0 . .
C C37 0.6628(2) 0.54172(11) 0.35161(9) 0.0201(6) Uani d . . . 1.0 . .
H H37 0.622132 0.547902 0.377056 0.024 Uiso calc U . R 1.0 . .
C C38 0.6073(2) 0.55713(12) 0.31008(9) 0.0224(6) Uani d . . . 1.0 . .
H H38A 0.645057 0.591689 0.297751 0.027 Uiso calc U . R 1.0 . .
H H38B 0.528883 0.568049 0.315664 0.027 Uiso calc U . R 1.0 . .
C C39 0.6097(2) 0.50723(12) 0.27773(9) 0.0211(6) Uani d . . . 1.0 . .
H H39A 0.541359 0.509227 0.260219 0.025 Uiso calc U . R 1.0 . .
H H39B 0.674214 0.512913 0.258645 0.025 Uiso calc U . R 1.0 . .
C C40 0.6174(2) 0.44656(12) 0.29763(8) 0.0173(5) Uani d . . . 1.0 . .
H H40 0.549886 0.426718 0.303966 0.021 Uiso calc U . R 1.0 . .
C C41 0.7185(2) 0.41802(12) 0.30723(8) 0.0162(5) Uani d . . . 1.0 . .
H H41 0.714126 0.379424 0.318321 0.019 Uiso calc U . R 1.0 . .
C C42 0.8332(2) 0.44403(13) 0.30126(9) 0.0216(6) Uani d . . . 1.0 . .
H H42A 0.853043 0.442258 0.270821 0.026 Uiso calc U . R 1.0 . .
H H42B 0.887888 0.420013 0.317035 0.026 Uiso calc U . R 1.0 . .
C C43 0.8418(2) 0.50794(13) 0.31646(10) 0.0228(6) Uani d . . . 1.0 . .
H H43A 0.920267 0.516798 0.323709 0.027 Uiso calc U . R 1.0 . .
H H43B 0.819172 0.534424 0.293166 0.027 Uiso calc U . R 1.0 . .
C C44 0.1076(13) 0.4314(6) 0.5396(5) 0.029(3) Uani d U P D 0.231(5) A -1
H H44A 0.072524 0.427706 0.567541 0.043 Uiso calc U P R 0.231(5) A -1
H H44B 0.185198 0.443797 0.543081 0.043 Uiso calc U P R 0.231(5) A -1
H H44C 0.105336 0.393567 0.525028 0.043 Uiso calc U P R 0.231(5) A -1
C C45 0.0308(10) 0.5741(4) 0.4885(5) 0.021(2) Uani d U P G 0.231(5) A -1
H H45 0.060734 0.612314 0.48544 0.025 Uiso calc U P R 0.231(5) A -1
C C46 0.0910(8) 0.5312(5) 0.5098(4) 0.019(2) Uani d U P DG 0.231(5) A -1
H H46 0.162049 0.540223 0.521347 0.023 Uiso calc U P R 0.231(5) A -1
C C47 0.0471(8) 0.4753(4) 0.5144(4) 0.0211(19) Uani d U P G 0.231(5) A -1
C C48 -0.0569(9) 0.4621(4) 0.4975(4) 0.021(2) Uani d U P DG 0.231(5) A -1
H H48 -0.086863 0.423899 0.50061 0.025 Uiso calc U P R 0.231(5) A -1
C C49 -0.1171(8) 0.5050(5) 0.4762(4) 0.023(2) Uani d U P G 0.231(5) A -1
H H49 -0.188179 0.495989 0.464703 0.028 Uiso calc U P R 0.231(5) A -1
C C50 -0.0732(10) 0.5609(4) 0.4717(5) 0.020(2) Uani d U P G 0.231(5) A -1
H H50 -0.114383 0.590197 0.457118 0.024 Uiso calc U P R 0.231(5) A -1
C C44A -0.0277(13) 0.3981(5) 0.5138(5) 0.034(3) Uani d U P . 0.269(5) A -2
H H44D 0.004612 0.390167 0.541707 0.051 Uiso calc U P R 0.269(5) A -2
H H44E 0.010608 0.374551 0.49229 0.051 Uiso calc U P R 0.269(5) A -2
H H44F -0.107022 0.388054 0.514037 0.051 Uiso calc U P R 0.269(5) A -2
C C45A -0.0144(10) 0.4617(3) 0.5035(3) 0.0228(19) Uani d U P G 0.269(5) A -2
C C46A 0.0817(8) 0.4917(4) 0.5147(3) 0.024(2) Uani d U P G 0.269(5) A -2
H H46A 0.13949 0.472073 0.529623 0.029 Uiso calc U P R 0.269(5) A -2
C C47A 0.0934(7) 0.5505(4) 0.5042(4) 0.026(2) Uani d U P G 0.269(5) A -2
H H47A 0.159188 0.570994 0.511926 0.031 Uiso calc U P R 0.269(5) A -2
C C48A 0.0090(10) 0.5792(3) 0.4824(4) 0.022(2) Uani d U P G 0.269(5) A -2
H H48A 0.016953 0.619338 0.475248 0.026 Uiso calc U P R 0.269(5) A -2
C C49A -0.0872(8) 0.5491(4) 0.4712(4) 0.020(2) Uani d U P G 0.269(5) A -2
H H49A -0.144982 0.56876 0.456267 0.024 Uiso calc U P R 0.269(5) A -2
C C50A -0.0989(7) 0.4904(4) 0.4817(4) 0.0193(19) Uani d U P G 0.269(5) A -2
H H50A -0.164683 0.469839 0.473964 0.023 Uiso calc U P R 0.269(5) A -2
Cl Cl1 0.30913(6) 0.26724(3) 0.38695(2) 0.02688(16) Uani d . . . 1.0 . .
Cl Cl2 0.62468(6) 0.47332(3) 0.43782(2) 0.02273(14) Uani d . . . 1.0 . .
Ge Ge1 0.54580(2) 0.35292(2) 0.37365(2) 0.01294(6) Uani d . . . 1.0 . .
N N1 0.63438(18) 0.31427(9) 0.42140(7) 0.0147(4) Uani d . . . 1.0 . .
N N2 0.49754(18) 0.35254(10) 0.46130(7) 0.0165(4) Uani d . . . 1.0 . .
N N3 0.36474(18) 0.40558(10) 0.43179(7) 0.0172(4) Uani d . . . 1.0 . .
Rh Rh1 0.45057(2) 0.27326(2) 0.33372(2) 0.01520(5) Uani d . . . 1.0 . .
Rh Rh2 0.64521(2) 0.44824(2) 0.36384(2) 0.01375(4) Uani d . . . 1.0 . .


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 N3 . 1.318(3) ?
C1 N2 . 1.385(3) ?
C1 Ge1 . 1.984(3) ?
C2 N3 . 1.476(3) ?
C2 C3 . 1.521(4) ?
C2 H2A . 0.99 ?
C2 H2B . 0.99 ?
C3 N2 . 1.490(3) ?
C3 H3A . 0.99 ?
C3 H3B . 0.99 ?
C4 N1 . 1.303(3) ?
C4 N2 . 1.392(3) ?
C4 C14 . 1.541(4) ?
C5 C6 . 1.400(4) ?
C5 C12 . 1.401(4) ?
C5 N1 . 1.445(3) ?
C6 C8 . 1.388(4) ?
C6 C7 . 1.498(4) ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C8 C9 . 1.387(4) ?
C8 H8 . 0.95 ?
C9 C11 . 1.396(4) ?
C9 C10 . 1.514(4) ?
C10 H10A . 0.98 ?
C10 H10B . 0.98 ?
C10 H10C . 0.98 ?
C11 C12 . 1.392(4) ?
C11 H11 . 0.95 ?
C12 C13 . 1.503(4) ?
C13 H13A . 0.98 ?
C13 H13B . 0.98 ?
C13 H13C . 0.98 ?
C14 C16 . 1.537(4) ?
C14 C15 . 1.542(4) ?
C14 C17 . 1.546(4) ?
C15 H15A . 0.98 ?
C15 H15B . 0.98 ?
C15 H15C . 0.98 ?
C16 H16A . 0.98 ?
C16 H16B . 0.98 ?
C16 H16C . 0.98 ?
C17 H17A . 0.98 ?
C17 H17B . 0.98 ?
C17 H17C . 0.98 ?
C18 N3 . 1.486(3) ?
C18 C24 . 1.518(4) ?
C18 C23 . 1.538(4) ?
C18 C19 . 1.541(4) ?
C19 C20 . 1.542(4) ?
C19 H19A . 0.99 ?
C19 H19B . 0.99 ?
C20 C21 . 1.518(5) ?
C20 C27 . 1.522(5) ?
C20 H20 . 1.0 ?
C21 C22 . 1.526(5) ?
C21 H21A . 0.99 ?
C21 H21B . 0.99 ?
C22 C26 . 1.528(5) ?
C22 C23 . 1.541(4) ?
C22 H22 . 1.0 ?
C23 H23A . 0.99 ?
C23 H23B . 0.99 ?
C24 C25 . 1.532(4) ?
C24 H24A . 0.99 ?
C24 H24B . 0.99 ?
C25 C26 . 1.522(4) ?
C25 C27 . 1.526(5) ?
C25 H25 . 1.0 ?
C26 H26A . 0.99 ?
C26 H26B . 0.99 ?
C27 H27A . 0.99 ?
C27 H27B . 0.99 ?
C28 C29 . 1.394(4) ?
C28 C35 . 1.520(4) ?
C28 Rh1 . 2.130(3) ?
C28 H28 . 0.95 ?
C29 C30 . 1.510(4) ?
C29 Rh1 . 2.107(3) ?
C29 H29 . 0.95 ?
C30 C31 . 1.510(5) ?
C30 H30A . 0.99 ?
C30 H30B . 0.99 ?
C31 C32 . 1.520(5) ?
C31 H31A . 0.99 ?
C31 H31B . 0.99 ?
C32 C33 . 1.368(5) ?
C32 Rh1 . 2.216(3) ?
C32 H32 . 0.95 ?
C33 C34 . 1.517(5) ?
C33 Rh1 . 2.189(3) ?
C33 H33 . 0.95 ?
C34 C35 . 1.503(5) ?
C34 H34A . 0.99 ?
C34 H34B . 0.99 ?
C35 H35A . 0.99 ?
C35 H35B . 0.99 ?
C36 C37 . 1.380(4) ?
C36 C43 . 1.512(4) ?
C36 Rh2 . 2.219(3) ?
C36 H36 . 0.95 ?
C37 C38 . 1.511(4) ?
C37 Rh2 . 2.181(3) ?
C37 H37 . 0.95 ?
C38 C39 . 1.530(4) ?
C38 H38A . 0.99 ?
C38 H38B . 0.99 ?
C39 C40 . 1.524(4) ?
C39 H39A . 0.99 ?
C39 H39B . 0.99 ?
C40 C41 . 1.411(4) ?
C40 Rh2 . 2.115(3) ?
C40 H40 . 0.95 ?
C41 C42 . 1.512(4) ?
C41 Rh2 . 2.106(3) ?
C41 H41 . 0.95 ?
C42 C43 . 1.540(4) ?
C42 H42A . 0.99 ?
C42 H42B . 0.99 ?
C43 H43A . 0.99 ?
C43 H43B . 0.99 ?
C44 C47 . 1.472(17) ?
C44 H44A . 0.98 ?
C44 H44B . 0.98 ?
C44 H44C . 0.98 ?
C45 C46 . 1.39 ?
C45 C50 . 1.39 ?
C45 H45 . 0.95 ?
C46 C47 . 1.39 ?
C46 H46 . 0.95 ?
C47 C48 . 1.39 ?
C48 C49 . 1.39 ?
C48 H48 . 0.95 ?
C49 C50 . 1.39 ?
C49 H49 . 0.95 ?
C50 H50 . 0.95 ?
C44A C45A . 1.496(14) ?
C44A H44D . 0.98 ?
C44A H44E . 0.98 ?
C44A H44F . 0.98 ?
C45A C46A . 1.39 ?
C45A C50A . 1.39 ?
C46A C47A . 1.39 ?
C46A H46A . 0.95 ?
C47A C48A . 1.39 ?
C47A H47A . 0.95 ?
C48A C49A . 1.39 ?
C48A H48A . 0.95 ?
C49A C50A . 1.39 ?
C49A H49A . 0.95 ?
C50A H50A . 0.95 ?
Cl1 Rh1 . 2.3921(7) ?
Cl2 Rh2 . 2.4150(7) ?
Ge1 N1 . 2.044(2) ?
Ge1 Rh1 . 2.4912(3) ?
Ge1 Rh2 . 2.5029(3) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N3 C1 N2 . . 109.6(2) ?
N3 C1 Ge1 . . 137.6(2) ?
N2 C1 Ge1 . . 112.69(18) ?
N3 C2 C3 . . 102.6(2) ?
N3 C2 H2A . . 111.3 ?
C3 C2 H2A . . 111.3 ?
N3 C2 H2B . . 111.3 ?
C3 C2 H2B . . 111.3 ?
H2A C2 H2B . . 109.2 ?
N2 C3 C2 . . 101.5(2) ?
N2 C3 H3A . . 111.5 ?
C2 C3 H3A . . 111.5 ?
N2 C3 H3B . . 111.5 ?
C2 C3 H3B . . 111.5 ?
H3A C3 H3B . . 109.3 ?
N1 C4 N2 . . 112.9(2) ?
N1 C4 C14 . . 128.5(2) ?
N2 C4 C14 . . 118.5(2) ?
C6 C5 C12 . . 121.1(2) ?
C6 C5 N1 . . 119.7(2) ?
C12 C5 N1 . . 119.1(2) ?
C8 C6 C5 . . 118.5(2) ?
C8 C6 C7 . . 120.1(2) ?
C5 C6 C7 . . 121.4(2) ?
C6 C7 H7A . . 109.5 ?
C6 C7 H7B . . 109.4 ?
H7A C7 H7B . . 109.5 ?
C6 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C9 C8 C6 . . 122.3(3) ?
C9 C8 H8 . . 118.8 ?
C6 C8 H8 . . 118.8 ?
C8 C9 C11 . . 117.7(3) ?
C8 C9 C10 . . 120.9(3) ?
C11 C9 C10 . . 121.3(3) ?
C9 C10 H10A . . 109.5 ?
C9 C10 H10B . . 109.5 ?
H10A C10 H10B . . 109.5 ?
C9 C10 H10C . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
C12 C11 C9 . . 122.2(3) ?
C12 C11 H11 . . 118.9 ?
C9 C11 H11 . . 118.9 ?
C11 C12 C5 . . 118.1(3) ?
C11 C12 C13 . . 120.7(2) ?
C5 C12 C13 . . 121.2(2) ?
C12 C13 H13A . . 109.5 ?
C12 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C12 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C16 C14 C4 . . 109.3(2) ?
C16 C14 C15 . . 106.8(2) ?
C4 C14 C15 . . 114.1(2) ?
C16 C14 C17 . . 110.6(2) ?
C4 C14 C17 . . 110.3(2) ?
C15 C14 C17 . . 105.7(2) ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C14 C16 H16A . . 109.5 ?
C14 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C14 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C14 C17 H17A . . 109.5 ?
C14 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C14 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
N3 C18 C24 . . 111.0(2) ?
N3 C18 C23 . . 109.3(2) ?
C24 C18 C23 . . 109.6(2) ?
N3 C18 C19 . . 108.8(2) ?
C24 C18 C19 . . 108.8(2) ?
C23 C18 C19 . . 109.3(2) ?
C18 C19 C20 . . 109.1(2) ?
C18 C19 H19A . . 109.9 ?
C20 C19 H19A . . 109.9 ?
C18 C19 H19B . . 109.9 ?
C20 C19 H19B . . 109.9 ?
H19A C19 H19B . . 108.3 ?
C21 C20 C27 . . 109.1(3) ?
C21 C20 C19 . . 109.6(3) ?
C27 C20 C19 . . 109.9(3) ?
C21 C20 H20 . . 109.4 ?
C27 C20 H20 . . 109.4 ?
C19 C20 H20 . . 109.4 ?
C20 C21 C22 . . 109.8(3) ?
C20 C21 H21A . . 109.7 ?
C22 C21 H21A . . 109.7 ?
C20 C21 H21B . . 109.7 ?
C22 C21 H21B . . 109.7 ?
H21A C21 H21B . . 108.2 ?
C21 C22 C26 . . 110.3(3) ?
C21 C22 C23 . . 109.6(3) ?
C26 C22 C23 . . 109.0(3) ?
C21 C22 H22 . . 109.3 ?
C26 C22 H22 . . 109.3 ?
C23 C22 H22 . . 109.3 ?
C18 C23 C22 . . 109.1(2) ?
C18 C23 H23A . . 109.9 ?
C22 C23 H23A . . 109.9 ?
C18 C23 H23B . . 109.9 ?
C22 C23 H23B . . 109.9 ?
H23A C23 H23B . . 108.3 ?
C18 C24 C25 . . 110.2(2) ?
C18 C24 H24A . . 109.6 ?
C25 C24 H24A . . 109.6 ?
C18 C24 H24B . . 109.6 ?
C25 C24 H24B . . 109.6 ?
H24A C24 H24B . . 108.1 ?
C26 C25 C27 . . 110.0(3) ?
C26 C25 C24 . . 109.5(3) ?
C27 C25 C24 . . 109.3(3) ?
C26 C25 H25 . . 109.4 ?
C27 C25 H25 . . 109.4 ?
C24 C25 H25 . . 109.4 ?
C25 C26 C22 . . 108.9(2) ?
C25 C26 H26A . . 109.9 ?
C22 C26 H26A . . 109.9 ?
C25 C26 H26B . . 109.9 ?
C22 C26 H26B . . 109.9 ?
H26A C26 H26B . . 108.3 ?
C20 C27 C25 . . 109.5(3) ?
C20 C27 H27A . . 109.8 ?
C25 C27 H27A . . 109.8 ?
C20 C27 H27B . . 109.8 ?
C25 C27 H27B . . 109.8 ?
H27A C27 H27B . . 108.2 ?
C29 C28 C35 . . 123.8(3) ?
C29 C28 Rh1 . . 69.90(16) ?
C35 C28 Rh1 . . 113.42(19) ?
C29 C28 H28 . . 118.1 ?
C35 C28 H28 . . 118.1 ?
Rh1 C28 H28 . . 86.7 ?
C28 C29 C30 . . 125.0(3) ?
C28 C29 Rh1 . . 71.70(16) ?
C30 C29 Rh1 . . 111.79(19) ?
C28 C29 H29 . . 117.5 ?
C30 C29 H29 . . 117.5 ?
Rh1 C29 H29 . . 86.5 ?
C31 C30 C29 . . 113.9(3) ?
C31 C30 H30A . . 108.8 ?
C29 C30 H30A . . 108.8 ?
C31 C30 H30B . . 108.8 ?
C29 C30 H30B . . 108.8 ?
H30A C30 H30B . . 107.7 ?
C30 C31 C32 . . 114.0(3) ?
C30 C31 H31A . . 108.8 ?
C32 C31 H31A . . 108.8 ?
C30 C31 H31B . . 108.8 ?
C32 C31 H31B . . 108.8 ?
H31A C31 H31B . . 107.6 ?
C33 C32 C31 . . 122.4(3) ?
C33 C32 Rh1 . . 70.85(17) ?
C31 C32 Rh1 . . 110.7(2) ?
C33 C32 H32 . . 118.8 ?
C31 C32 H32 . . 118.8 ?
Rh1 C32 H32 . . 88.5 ?
C32 C33 C34 . . 126.0(3) ?
C32 C33 Rh1 . . 72.97(17) ?
C34 C33 Rh1 . . 108.3(2) ?
C32 C33 H33 . . 117.0 ?
C34 C33 H33 . . 117.0 ?
Rh1 C33 H33 . . 88.6 ?
C35 C34 C33 . . 114.8(3) ?
C35 C34 H34A . . 108.6 ?
C33 C34 H34A . . 108.6 ?
C35 C34 H34B . . 108.6 ?
C33 C34 H34B . . 108.6 ?
H34A C34 H34B . . 107.5 ?
C34 C35 C28 . . 113.5(3) ?
C34 C35 H35A . . 108.9 ?
C28 C35 H35A . . 108.9 ?
C34 C35 H35B . . 108.9 ?
C28 C35 H35B . . 108.9 ?
H35A C35 H35B . . 107.7 ?
C37 C36 C43 . . 122.7(3) ?
C37 C36 Rh2 . . 70.20(15) ?
C43 C36 Rh2 . . 111.47(18) ?
C37 C36 H36 . . 118.7 ?
C43 C36 H36 . . 118.7 ?
Rh2 C36 H36 . . 88.4 ?
C36 C37 C38 . . 123.9(3) ?
C36 C37 Rh2 . . 73.24(15) ?
C38 C37 Rh2 . . 109.80(18) ?
C36 C37 H37 . . 118.1 ?
C38 C37 H37 . . 118.1 ?
Rh2 C37 H37 . . 86.9 ?
C37 C38 C39 . . 113.3(2) ?
C37 C38 H38A . . 108.9 ?
C39 C38 H38A . . 108.9 ?
C37 C38 H38B . . 108.9 ?
C39 C38 H38B . . 108.9 ?
H38A C38 H38B . . 107.7 ?
C40 C39 C38 . . 113.8(2) ?
C40 C39 H39A . . 108.8 ?
C38 C39 H39A . . 108.8 ?
C40 C39 H39B . . 108.8 ?
C38 C39 H39B . . 108.8 ?
H39A C39 H39B . . 107.7 ?
C41 C40 C39 . . 124.1(2) ?
C41 C40 Rh2 . . 70.16(15) ?
C39 C40 Rh2 . . 113.55(18) ?
C41 C40 H40 . . 117.9 ?
C39 C40 H40 . . 117.9 ?
Rh2 C40 H40 . . 86.3 ?
C40 C41 C42 . . 125.1(2) ?
C40 C41 Rh2 . . 70.79(15) ?
C42 C41 Rh2 . . 110.93(18) ?
C40 C41 H41 . . 117.4 ?
C42 C41 H41 . . 117.4 ?
Rh2 C41 H41 . . 88.2 ?
C41 C42 C43 . . 113.3(2) ?
C41 C42 H42A . . 108.9 ?
C43 C42 H42A . . 108.9 ?
C41 C42 H42B . . 108.9 ?
C43 C42 H42B . . 108.9 ?
H42A C42 H42B . . 107.7 ?
C36 C43 C42 . . 111.8(2) ?
C36 C43 H43A . . 109.3 ?
C42 C43 H43A . . 109.3 ?
C36 C43 H43B . . 109.3 ?
C42 C43 H43B . . 109.3 ?
H43A C43 H43B . . 107.9 ?
C47 C44 H44A . . 109.5 ?
C47 C44 H44B . . 109.5 ?
H44A C44 H44B . . 109.5 ?
C47 C44 H44C . . 109.5 ?
H44A C44 H44C . . 109.5 ?
H44B C44 H44C . . 109.5 ?
C46 C45 C50 . . 120.0 ?
C46 C45 H45 . . 120.0 ?
C50 C45 H45 . . 120.0 ?
C47 C46 C45 . . 120.0 ?
C47 C46 H46 . . 120.0 ?
C45 C46 H46 . . 120.0 ?
C46 C47 C48 . . 120.0 ?
C46 C47 C44 . . 119.7(7) ?
C48 C47 C44 . . 120.2(7) ?
C49 C48 C47 . . 120.0 ?
C49 C48 H48 . . 120.0 ?
C47 C48 H48 . . 120.0 ?
C50 C49 C48 . . 120.0 ?
C50 C49 H49 . . 120.0 ?
C48 C49 H49 . . 120.0 ?
C49 C50 C45 . . 120.0 ?
C49 C50 H50 . . 120.0 ?
C45 C50 H50 . . 120.0 ?
C45A C44A H44D . . 109.5 ?
C45A C44A H44E . . 109.5 ?
H44D C44A H44E . . 109.5 ?
C45A C44A H44F . . 109.5 ?
H44D C44A H44F . . 109.5 ?
H44E C44A H44F . . 109.5 ?
C46A C45A C50A . . 120.0 ?
C46A C45A C44A . . 120.8(9) ?
C50A C45A C44A . . 119.2(9) ?
C47A C46A C45A . . 120.0 ?
C47A C46A H46A . . 120.0 ?
C45A C46A H46A . . 120.0 ?
C46A C47A C48A . . 120.0 ?
C46A C47A H47A . . 120.0 ?
C48A C47A H47A . . 120.0 ?
C49A C48A C47A . . 120.0 ?
C49A C48A H48A . . 120.0 ?
C47A C48A H48A . . 120.0 ?
C50A C49A C48A . . 120.0 ?
C50A C49A H49A . . 120.0 ?
C48A C49A H49A . . 120.0 ?
C49A C50A C45A . . 120.0 ?
C49A C50A H50A . . 120.0 ?
C45A C50A H50A . . 120.0 ?
C1 Ge1 N1 . . 78.91(10) ?
C1 Ge1 Rh1 . . 108.70(7) ?
N1 Ge1 Rh1 . . 107.20(6) ?
C1 Ge1 Rh2 . . 98.99(7) ?
N1 Ge1 Rh2 . . 102.63(6) ?
Rh1 Ge1 Rh2 . . 142.383(13) ?
C4 N1 C5 . . 128.5(2) ?
C4 N1 Ge1 . . 116.88(18) ?
C5 N1 Ge1 . . 114.61(16) ?
C1 N2 C4 . . 118.4(2) ?
C1 N2 C3 . . 109.3(2) ?
C4 N2 C3 . . 129.7(2) ?
C1 N3 C2 . . 111.7(2) ?
C1 N3 C18 . . 127.3(2) ?
C2 N3 C18 . . 121.0(2) ?
C29 Rh1 C28 . . 38.40(11) ?
C29 Rh1 C33 . . 96.15(12) ?
C28 Rh1 C33 . . 81.56(11) ?
C29 Rh1 C32 . . 81.45(11) ?
C28 Rh1 C32 . . 90.17(11) ?
C33 Rh1 C32 . . 36.17(12) ?
C29 Rh1 Cl1 . . 156.06(8) ?
C28 Rh1 Cl1 . . 164.94(8) ?
C33 Rh1 Cl1 . . 89.81(9) ?
C32 Rh1 Cl1 . . 90.08(9) ?
C29 Rh1 Ge1 . . 93.40(8) ?
C28 Rh1 Ge1 . . 91.92(7) ?
C33 Rh1 Ge1 . . 155.02(9) ?
C32 Rh1 Ge1 . . 168.78(9) ?
Cl1 Rh1 Ge1 . . 90.75(2) ?
C41 Rh2 C40 . . 39.05(10) ?
C41 Rh2 C37 . . 97.51(11) ?
C40 Rh2 C37 . . 81.87(11) ?
C41 Rh2 C36 . . 81.38(10) ?
C40 Rh2 C36 . . 89.54(11) ?
C37 Rh2 C36 . . 36.56(10) ?
C41 Rh2 Cl2 . . 159.90(7) ?
C40 Rh2 Cl2 . . 160.38(8) ?
C37 Rh2 Cl2 . . 87.04(8) ?
C36 Rh2 Cl2 . . 91.13(8) ?
C41 Rh2 Ge1 . . 91.08(7) ?
C40 Rh2 Ge1 . . 91.77(7) ?
C37 Rh2 Ge1 . . 156.99(8) ?
C36 Rh2 Ge1 . . 166.28(8) ?
Cl2 Rh2 Ge1 . . 92.192(19) ?

