# 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_2Ge
_database_code_depnum_ccdc_archive 'CCDC 1911673'
loop_
_audit_author_name
_audit_author_address
'Javier A. Cabeza'
;University of Oviedo
Spain
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-06-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H46 Cl Ge Ir N2, 2(C H2 Cl2)'
_chemical_formula_sum            'C34 H50 Cl5 Ge Ir N2'
_chemical_formula_weight         928.80

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -4.7710 6.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

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

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.1461(4)
_cell_length_b                   12.3199(6)
_cell_length_c                   15.3703(5)
_cell_angle_alpha                82.470(3)
_cell_angle_beta                 79.687(3)
_cell_angle_gamma                67.955(4)
_cell_volume                     1919.99(14)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    13464
_cell_measurement_theta_min      2.9240
_cell_measurement_theta_max      69.4360

_exptl_crystal_description       fragment
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_F_000             924
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.334
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.118
_exptl_absorpt_coefficient_mu    10.961
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_correction_T_min  0.132
_exptl_absorpt_correction_T_max  0.363
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            20395
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_av_R_equivalents  0.0502
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.929
_diffrn_reflns_theta_max         69.645
_diffrn_reflns_theta_full        67.680
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7107
_reflns_number_gt                6603
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    
'MERCURY (Cambridge Crystallographic Data Centre: Cambridge, UK, 2019)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_refine_special_details          
;
One of the two dichloromethane solvent molecules found in the asymmetric unit of 16055_lga206 was disordered over two positions with a 55:45 occupancy ratio and required restraints on its geometrical and thermal parameters.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0784P)²+2.8602P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7107
_refine_ls_number_parameters     425
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0473
_refine_ls_R_factor_gt           0.0445
_refine_ls_wR_factor_ref         0.1192
_refine_ls_wR_factor_gt          0.1156
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.022
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.9170(6) 0.3873(5) 0.5458(3) 0.0415(13) Uani 1 1 d . . . . .
H1A H 0.8284 0.3890 0.5458 0.062 Uiso 1 1 calc R U . . .
H1B H 0.9701 0.3626 0.4887 0.062 Uiso 1 1 calc R U . . .
H1C H 0.9131 0.4659 0.5550 0.062 Uiso 1 1 calc R U . . .
C2 C 1.1129(6) 0.3031(7) 0.6229(4) 0.0492(15) Uani 1 1 d . . . . .
H2A H 1.1051 0.3832 0.6309 0.074 Uiso 1 1 calc R U . . .
H2B H 1.1691 0.2773 0.5670 0.074 Uiso 1 1 calc R U . . .
H2C H 1.1513 0.2503 0.6723 0.074 Uiso 1 1 calc R U . . .
C3 C 0.9863(7) 0.1800(5) 0.6038(4) 0.0493(15) Uani 1 1 d . . . . .
H3A H 1.0291 0.1228 0.6497 0.074 Uiso 1 1 calc R U . . .
H3B H 1.0369 0.1585 0.5455 0.074 Uiso 1 1 calc R U . . .
H3C H 0.8978 0.1805 0.6053 0.074 Uiso 1 1 calc R U . . .
C4 C 0.9787(5) 0.3006(4) 0.6205(3) 0.0303(10) Uani 1 1 d . . . . .
C5 C 0.8998(5) 0.3007(4) 0.7874(3) 0.0273(9) Uani 1 1 d . . . . .
C6 C 0.9890(5) 0.1820(4) 0.8181(3) 0.0307(10) Uani 1 1 d . . . . .
C7 C 1.1088(6) 0.1678(5) 0.8399(4) 0.0404(12) Uani 1 1 d . . . . .
H7 H 1.1349 0.2337 0.8353 0.048 Uiso 1 1 calc R U . . .
C8 C 1.1918(6) 0.0583(6) 0.8686(4) 0.0507(15) Uani 1 1 d . . . . .
H8 H 1.2746 0.0493 0.8828 0.061 Uiso 1 1 calc R U . . .
C9 C 1.1542(7) -0.0381(6) 0.8765(4) 0.0546(16) Uani 1 1 d . . . . .
H9 H 1.2111 -0.1132 0.8960 0.065 Uiso 1 1 calc R U . . .
C10 C 1.0328(7) -0.0242(5) 0.8557(4) 0.0499(15) Uani 1 1 d . . . . .
H10 H 1.0063 -0.0899 0.8615 0.060 Uiso 1 1 calc R U . . .
C11 C 0.9497(6) 0.0857(5) 0.8264(3) 0.0386(12) Uani 1 1 d . . . . .
H11 H 0.8668 0.0950 0.8121 0.046 Uiso 1 1 calc R U . . .
C12 C 0.7620(5) 0.3707(5) 0.9358(3) 0.0326(10) Uani 1 1 d . . . . .
C13 C 0.6841(6) 0.4948(5) 0.9627(3) 0.0391(12) Uani 1 1 d . . . . .
H13A H 0.7437 0.5368 0.9614 0.059 Uiso 1 1 calc R U . . .
H13B H 0.6372 0.4920 1.0228 0.059 Uiso 1 1 calc R U . . .
H13C H 0.6212 0.5357 0.9213 0.059 Uiso 1 1 calc R U . . .
C14 C 0.6709(6) 0.3014(6) 0.9456(3) 0.0414(13) Uani 1 1 d . . . . .
H14A H 0.6023 0.3404 0.9079 0.062 Uiso 1 1 calc R U . . .
H14B H 0.6309 0.2978 1.0075 0.062 Uiso 1 1 calc R U . . .
H14C H 0.7213 0.2216 0.9275 0.062 Uiso 1 1 calc R U . . .
C15 C 0.8701(6) 0.3120(5) 0.9944(3) 0.0401(12) Uani 1 1 d . . . . .
H15A H 0.9155 0.2296 0.9811 0.060 Uiso 1 1 calc R U . . .
H15B H 0.8314 0.3163 1.0569 0.060 Uiso 1 1 calc R U . . .
H15C H 0.9326 0.3526 0.9825 0.060 Uiso 1 1 calc R U . . .
C16 C 0.8092(5) 0.6149(4) 0.7074(3) 0.0285(9) Uani 1 1 d . . . . .
C21 C 0.7472(5) 0.7026(4) 0.6440(3) 0.0301(10) Uani 1 1 d . . . . .
C20 C 0.7794(6) 0.8026(5) 0.6241(3) 0.0370(11) Uani 1 1 d . . . . .
H20 H 0.7354 0.8617 0.5825 0.044 Uiso 1 1 calc R U . . .
C19 C 0.8733(6) 0.8184(5) 0.6629(4) 0.0412(13) Uani 1 1 d . . . . .
C18 C 0.9387(6) 0.7297(5) 0.7217(4) 0.0412(12) Uani 1 1 d . . . . .
H18 H 1.0066 0.7378 0.7467 0.049 Uiso 1 1 calc R U . . .
C17 C 0.9079(5) 0.6288(5) 0.7453(3) 0.0330(10) Uani 1 1 d . . . . .
C22 C 0.6493(5) 0.6911(5) 0.5923(3) 0.0352(11) Uani 1 1 d . . . . .
H22A H 0.6132 0.7640 0.5559 0.053 Uiso 1 1 calc R U . . .
H22B H 0.5785 0.6762 0.6337 0.053 Uiso 1 1 calc R U . . .
H22C H 0.6930 0.6257 0.5540 0.053 Uiso 1 1 calc R U . . .
C23 C 0.9041(9) 0.9289(7) 0.6419(5) 0.063(2) Uani 1 1 d . . . . .
H23A H 0.8573 0.9831 0.6885 0.095 Uiso 1 1 calc R U . . .
H23B H 0.8765 0.9662 0.5848 0.095 Uiso 1 1 calc R U . . .
H23C H 0.9984 0.9094 0.6388 0.095 Uiso 1 1 calc R U . . .
C24 C 0.9856(6) 0.5386(5) 0.8101(4) 0.0411(12) Uani 1 1 d . . . . .
H24A H 0.9272 0.5313 0.8645 0.062 Uiso 1 1 calc R U . . .
H24B H 1.0535 0.5632 0.8241 0.062 Uiso 1 1 calc R U . . .
H24C H 1.0264 0.4626 0.7838 0.062 Uiso 1 1 calc R U . . .
C25 C 0.5569(7) 0.3855(6) 0.6378(4) 0.0489(15) Uani 1 1 d . . . . .
H25 H 0.6169 0.4219 0.6102 0.059 Uiso 1 1 calc R U . . .
C26 C 0.5799(7) 0.3183(6) 0.7220(4) 0.0493(15) Uani 1 1 d . . . . .
H26 H 0.6580 0.3065 0.7448 0.059 Uiso 1 1 calc R U . . .
C27 C 0.4824(8) 0.2656(7) 0.7752(5) 0.0598(18) Uani 1 1 d . . . . .
H27A H 0.5083 0.2365 0.8348 0.072 Uiso 1 1 calc R U . . .
H27B H 0.4867 0.1975 0.7453 0.072 Uiso 1 1 calc R U . . .
C28 C 0.3406(7) 0.3538(7) 0.7857(4) 0.0575(19) Uani 1 1 d . . . . .
H28A H 0.2964 0.3450 0.7381 0.069 Uiso 1 1 calc R U . . .
H28B H 0.2938 0.3345 0.8431 0.069 Uiso 1 1 calc R U . . .
C29 C 0.3302(6) 0.4797(7) 0.7822(4) 0.0495(16) Uani 1 1 d . . . . .
H29 H 0.3294 0.5114 0.8356 0.059 Uiso 1 1 calc R U . . .
C30 C 0.3219(6) 0.5516(7) 0.7037(4) 0.0484(15) Uani 1 1 d . . . . .
H30 H 0.3108 0.6312 0.7077 0.058 Uiso 1 1 calc R U . . .
C31 C 0.3292(7) 0.5132(7) 0.6131(4) 0.059(2) Uani 1 1 d . . . . .
H31A H 0.2463 0.5033 0.6092 0.071 Uiso 1 1 calc R U . . .
H31B H 0.3381 0.5759 0.5680 0.071 Uiso 1 1 calc R U . . .
C32 C 0.4411(7) 0.4004(8) 0.5919(4) 0.060(2) Uani 1 1 d . . . . .
H32A H 0.4687 0.4000 0.5270 0.072 Uiso 1 1 calc R U . . .
H32B H 0.4117 0.3334 0.6110 0.072 Uiso 1 1 calc R U . . .
C33 C 0.6431(9) 0.8271(8) 0.8891(7) 0.078(2) Uani 1 1 d . . . . .
H33A H 0.6784 0.7811 0.8360 0.094 Uiso 1 1 calc R U . . .
H33B H 0.5685 0.8063 0.9211 0.094 Uiso 1 1 calc R U . . .
Cl1 Cl 0.44653(11) 0.67989(11) 0.80938(7) 0.0343(3) Uani 1 1 d . . . . .
Cl2 Cl 0.7649(3) 0.7867(2) 0.95808(18) 0.1000(8) Uani 1 1 d . . . . .
Cl3 Cl 0.5878(5) 0.9720(3) 0.8557(4) 0.1630(18) Uani 1 1 d . . . . .
Ge1 Ge 0.74146(5) 0.48486(5) 0.73862(3) 0.02511(14) Uani 1 1 d . . . . .
Ir1 Ir 0.51816(2) 0.50068(2) 0.73754(2) 0.03134(10) Uani 1 1 d . . . . .
N1 N 0.8901(4) 0.3426(4) 0.7034(3) 0.0288(8) Uani 1 1 d . . . . .
N2 N 0.8170(4) 0.3820(4) 0.8406(3) 0.0285(8) Uani 1 1 d . . . . .
C34 C 0.337(6) 0.940(4) 0.653(2) 0.096(10) Uani 0.45(6) 1 d D U P A 1
H34A H 0.2550 0.9817 0.6917 0.116 Uiso 0.45(6) 1 calc R U P A 1
H34B H 0.3927 0.8749 0.6899 0.116 Uiso 0.45(6) 1 calc R U P A 1
Cl4 Cl 0.4163(15) 1.035(2) 0.6136(10) 0.092(4) Uani 0.45(6) 1 d D U P A 1
Cl5 Cl 0.301(3) 0.884(3) 0.568(3) 0.112(6) Uani 0.45(6) 1 d D U P A 1
Cl5A Cl 0.294(3) 0.865(3) 0.5497(17) 0.124(7) Uani 0.55(6) 1 d D U P A 2
Cl4A Cl 0.4034(16) 1.003(2) 0.6280(18) 0.135(4) Uani 0.55(6) 1 d D U P A 2
C34A C 0.316(3) 0.911(3) 0.6453(17) 0.089(9) Uani 0.55(6) 1 d D U P A 2
H34C H 0.2293 0.9517 0.6788 0.107 Uiso 0.55(6) 1 calc R U P A 2
H34D H 0.3620 0.8409 0.6828 0.107 Uiso 0.55(6) 1 calc R U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C4 1.530(7) . ?
C2 C4 1.514(7) . ?
C3 C4 1.509(8) . ?
C4 N1 1.485(6) . ?
C5 N2 1.332(6) . ?
C5 N1 1.334(6) . ?
C5 C6 1.498(7) . ?
C5 Ge1 2.418(5) . ?
C6 C7 1.377(8) . ?
C6 C11 1.394(8) . ?
C7 C8 1.387(8) . ?
C8 C9 1.384(10) . ?
C9 C10 1.389(10) . ?
C10 C11 1.394(8) . ?
C12 N2 1.493(6) . ?
C12 C13 1.517(8) . ?
C12 C14 1.531(7) . ?
C12 C15 1.532(7) . ?
C16 C17 1.405(7) . ?
C16 C21 1.414(7) . ?
C16 Ge1 1.986(5) . ?
C21 C20 1.391(7) . ?
C21 C22 1.515(7) . ?
C20 C19 1.377(8) . ?
C19 C18 1.386(9) . ?
C19 C23 1.507(8) . ?
C18 C17 1.398(8) . ?
C17 C24 1.508(7) . ?
C25 C26 1.450(9) . ?
C25 C32 1.521(8) . ?
C25 Ir1 2.103(6) . ?
C26 C27 1.531(9) . ?
C26 Ir1 2.122(7) . ?
C27 C28 1.540(11) . ?
C28 C29 1.506(10) . ?
C29 C30 1.396(8) . ?
C29 Ir1 2.184(5) . ?
C30 C31 1.508(9) . ?
C30 Ir1 2.177(5) . ?
C31 C32 1.505(11) . ?
C33 Cl3 1.697(10) . ?
C33 Cl2 1.756(9) . ?
Cl1 Ir1 2.3941(13) . ?
Ge1 N1 1.964(4) . ?
Ge1 N2 1.981(4) . ?
Ge1 Ir1 2.4255(5) . ?
C34 Cl4 1.706(19) . ?
C34 Cl5 1.729(19) . ?
Cl5A C34A 1.733(16) . ?
Cl4A C34A 1.721(17) . ?

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
N1 C4 C3 111.3(4) . . ?
N1 C4 C2 110.6(4) . . ?
C3 C4 C2 111.5(5) . . ?
N1 C4 C1 105.7(4) . . ?
C3 C4 C1 108.5(5) . . ?
C2 C4 C1 109.1(5) . . ?
N2 C5 N1 108.9(4) . . ?
N2 C5 C6 125.0(4) . . ?
N1 C5 C6 126.2(4) . . ?
N2 C5 Ge1 54.9(2) . . ?
N1 C5 Ge1 54.2(2) . . ?
C6 C5 Ge1 175.0(3) . . ?
C7 C6 C11 119.7(5) . . ?
C7 C6 C5 120.3(5) . . ?
C11 C6 C5 120.0(5) . . ?
C6 C7 C8 120.6(6) . . ?
C9 C8 C7 120.2(6) . . ?
C8 C9 C10 119.5(6) . . ?
C9 C10 C11 120.3(6) . . ?
C10 C11 C6 119.7(6) . . ?
N2 C12 C13 106.2(4) . . ?
N2 C12 C14 109.5(4) . . ?
C13 C12 C14 109.7(5) . . ?
N2 C12 C15 111.6(4) . . ?
C13 C12 C15 109.1(4) . . ?
C14 C12 C15 110.7(4) . . ?
C17 C16 C21 118.4(4) . . ?
C17 C16 Ge1 125.8(4) . . ?
C21 C16 Ge1 115.8(3) . . ?
C20 C21 C16 120.0(5) . . ?
C20 C21 C22 117.1(4) . . ?
C16 C21 C22 122.9(4) . . ?
C19 C20 C21 121.9(5) . . ?
C20 C19 C18 118.1(5) . . ?
C20 C19 C23 120.9(6) . . ?
C18 C19 C23 121.0(6) . . ?
C19 C18 C17 122.1(5) . . ?
C18 C17 C16 119.5(5) . . ?
C18 C17 C24 117.3(5) . . ?
C16 C17 C24 123.3(5) . . ?
C26 C25 C32 123.0(6) . . ?
C26 C25 Ir1 70.6(3) . . ?
C32 C25 Ir1 115.5(5) . . ?
C25 C26 C27 122.1(6) . . ?
C25 C26 Ir1 69.2(4) . . ?
C27 C26 Ir1 111.5(5) . . ?
C26 C27 C28 113.2(6) . . ?
C29 C28 C27 113.6(5) . . ?
C30 C29 C28 122.5(6) . . ?
C30 C29 Ir1 71.0(3) . . ?
C28 C29 Ir1 112.5(4) . . ?
C29 C30 C31 125.3(7) . . ?
C29 C30 Ir1 71.6(3) . . ?
C31 C30 Ir1 109.8(4) . . ?
C32 C31 C30 113.6(5) . . ?
C31 C32 C25 111.4(6) . . ?
Cl3 C33 Cl2 113.9(5) . . ?
N1 Ge1 N2 66.68(16) . . ?
N1 Ge1 C16 105.11(19) . . ?
N2 Ge1 C16 111.64(18) . . ?
N1 Ge1 C5 33.44(16) . . ?
N2 Ge1 C5 33.39(16) . . ?
C16 Ge1 C5 114.55(18) . . ?
N1 Ge1 Ir1 121.27(12) . . ?
N2 Ge1 Ir1 111.77(12) . . ?
C16 Ge1 Ir1 125.60(14) . . ?
C5 Ge1 Ir1 119.79(11) . . ?
C25 Ir1 C26 40.1(2) . . ?
C25 Ir1 C30 80.5(3) . . ?
C26 Ir1 C30 97.7(3) . . ?
C25 Ir1 C29 89.6(3) . . ?
C26 Ir1 C29 81.9(3) . . ?
C30 Ir1 C29 37.3(2) . . ?
C25 Ir1 Cl1 160.03(19) . . ?
C26 Ir1 Cl1 159.43(18) . . ?
C30 Ir1 Cl1 88.5(2) . . ?
C29 Ir1 Cl1 91.6(2) . . ?
C25 Ir1 Ge1 97.62(17) . . ?
C26 Ir1 Ge1 91.17(18) . . ?
C30 Ir1 Ge1 163.11(16) . . ?
C29 Ir1 Ge1 159.36(16) . . ?
Cl1 Ir1 Ge1 88.14(3) . . ?
C5 N1 C4 130.3(4) . . ?
C5 N1 Ge1 92.3(3) . . ?
C4 N1 Ge1 136.5(3) . . ?
C5 N2 C12 130.3(4) . . ?
C5 N2 Ge1 91.7(3) . . ?
C12 N2 Ge1 132.0(3) . . ?
Cl4 C34 Cl5 111(2) . . ?
Cl4A C34A Cl5A 115(2) . . ?

_refine_diff_density_max         1.414
_refine_diff_density_min         -2.020
_refine_diff_density_rms         0.151

_shelxl_version_number           2014-3

####################################################################### 
# 
# 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_3Ge
_database_code_depnum_ccdc_archive 'CCDC 1911674'
loop_
_audit_author_name
_audit_author_address
'Javier A. Cabeza'
;University of Oviedo
Spain
;
_audit_update_record             
;
2019-04-23 deposited with the CCDC.	2019-06-07 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H48 Cl Ge Ir N2'
_chemical_formula_sum            'C34 H48 Cl Ge Ir N2'
_chemical_formula_weight         784.98

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -4.7710 6.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

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

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

_cell_length_a                   10.62390(10)
_cell_length_b                   18.5431(2)
_cell_length_c                   17.4300(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.3330(10)
_cell_angle_gamma                90
_cell_volume                     3311.49(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    151(2)
_cell_measurement_reflns_used    10669
_cell_measurement_theta_min      4.4070
_cell_measurement_theta_max      69.0900

_exptl_crystal_description       fragment
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_F_000             1568
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_exptl_absorpt_coefficient_mu    9.695
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.49859
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      151(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           CuK\a
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15223
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_av_R_equivalents  0.0230
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.549
_diffrn_reflns_theta_max         69.451
_diffrn_reflns_theta_full        67.680
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6121
_reflns_number_gt                5711
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_molecular_graphics    
'MERCURY (Cambridge Crystallographic Data Centre: Cambridge, UK, 2019)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0391P)²+2.4284P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6121
_refine_ls_number_parameters     365
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0260
_refine_ls_wR_factor_ref         0.0690
_refine_ls_wR_factor_gt          0.0673
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_restrained_S_all      1.057
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.2803(3) 0.3822(2) 0.1013(2) 0.0343(8) Uani 1 1 d . . . . .
H1A H 0.2562 0.3312 0.0923 0.051 Uiso 1 1 calc R U . . .
H1B H 0.2130 0.4123 0.0666 0.051 Uiso 1 1 calc R U . . .
H1C H 0.2881 0.3946 0.1570 0.051 Uiso 1 1 calc R U . . .
C2 C 0.3981(4) 0.3775(2) -0.0049(2) 0.0394(9) Uani 1 1 d . . . . .
H2A H 0.4808 0.3876 -0.0177 0.059 Uiso 1 1 calc R U . . .
H2B H 0.3287 0.4070 -0.0387 0.059 Uiso 1 1 calc R U . . .
H2C H 0.3763 0.3263 -0.0144 0.059 Uiso 1 1 calc R U . . .
C3 C 0.4509(4) 0.4736(2) 0.1006(3) 0.0400(9) Uani 1 1 d . . . . .
H3A H 0.4614 0.4831 0.1572 0.060 Uiso 1 1 calc R U . . .
H3B H 0.3831 0.5053 0.0688 0.060 Uiso 1 1 calc R U . . .
H3C H 0.5336 0.4828 0.0875 0.060 Uiso 1 1 calc R U . . .
C4 C 0.4112(3) 0.39531(19) 0.0823(2) 0.0264(7) Uani 1 1 d . . . . .
C5 C 0.6334(3) 0.33849(18) 0.14696(19) 0.0224(7) Uani 1 1 d . . . . .
C6 C 0.7138(3) 0.3674(2) 0.09545(19) 0.0255(7) Uani 1 1 d . . . . .
C7 C 0.7338(4) 0.3256(2) 0.0335(2) 0.0341(8) Uani 1 1 d . . . . .
H7 H 0.6907 0.2805 0.0214 0.041 Uiso 1 1 calc R U . . .
C8 C 0.8164(4) 0.3495(3) -0.0104(2) 0.0412(9) Uani 1 1 d . . . . .
H8 H 0.8308 0.3205 -0.0523 0.049 Uiso 1 1 calc R U . . .
C9 C 0.8782(4) 0.4156(2) 0.0065(2) 0.0398(9) Uani 1 1 d . . . . .
H9 H 0.9352 0.4318 -0.0237 0.048 Uiso 1 1 calc R U . . .
C10 C 0.8574(4) 0.4579(2) 0.0667(2) 0.0349(8) Uani 1 1 d . . . . .
H10 H 0.8987 0.5036 0.0773 0.042 Uiso 1 1 calc R U . . .
C11 C 0.7760(3) 0.4339(2) 0.1120(2) 0.0279(7) Uani 1 1 d . . . . .
H11 H 0.7629 0.4628 0.1542 0.033 Uiso 1 1 calc R U . . .
C12 C 0.8051(3) 0.2621(2) 0.2453(2) 0.0301(8) Uani 1 1 d . . . . .
C13 C 0.7956(4) 0.1870(3) 0.2091(4) 0.0564(13) Uani 1 1 d . . . . .
H13A H 0.7144 0.1640 0.2129 0.085 Uiso 1 1 calc R U . . .
H13B H 0.8702 0.1580 0.2379 0.085 Uiso 1 1 calc R U . . .
H13C H 0.7960 0.1906 0.1530 0.085 Uiso 1 1 calc R U . . .
C14 C 0.8207(4) 0.2567(3) 0.3341(3) 0.0524(13) Uani 1 1 d . . . . .
H14A H 0.8341 0.3049 0.3578 0.079 Uiso 1 1 calc R U . . .
H14B H 0.8963 0.2263 0.3582 0.079 Uiso 1 1 calc R U . . .
H14C H 0.7420 0.2352 0.3437 0.079 Uiso 1 1 calc R U . . .
C15 C 0.9221(4) 0.3028(3) 0.2321(3) 0.0421(10) Uani 1 1 d . . . . .
H15A H 0.9216 0.2997 0.1759 0.063 Uiso 1 1 calc R U . . .
H15B H 1.0027 0.2814 0.2650 0.063 Uiso 1 1 calc R U . . .
H15C H 0.9172 0.3535 0.2469 0.063 Uiso 1 1 calc R U . . .
C16 C 0.4537(3) 0.33602(18) 0.30651(19) 0.0229(7) Uani 1 1 d . . . . .
C17 C 0.5054(3) 0.39894(18) 0.34726(19) 0.0238(7) Uani 1 1 d . . . . .
C18 C 0.4455(3) 0.42719(19) 0.4031(2) 0.0267(7) Uani 1 1 d . . . . .
H18 H 0.4800 0.4698 0.4311 0.032 Uiso 1 1 calc R U . . .
C19 C 0.3367(3) 0.3947(2) 0.4189(2) 0.0267(7) Uani 1 1 d . . . . .
C20 C 0.2879(3) 0.33159(19) 0.3777(2) 0.0267(7) Uani 1 1 d . . . . .
H20 H 0.2149 0.3083 0.3887 0.032 Uiso 1 1 calc R U . . .
C21 C 0.3439(3) 0.30205(19) 0.32091(19) 0.0236(7) Uani 1 1 d . . . . .
C22 C 0.2822(3) 0.23704(19) 0.2727(2) 0.0255(7) Uani 1 1 d . . . . .
H22A H 0.2058 0.2547 0.2311 0.031 Uiso 1 1 calc R U . . .
H22B H 0.2479 0.2057 0.3085 0.031 Uiso 1 1 calc R U . . .
C23 C 0.2725(4) 0.4273(2) 0.4781(2) 0.0365(8) Uani 1 1 d . . . . .
H23A H 0.3139 0.4083 0.5313 0.055 Uiso 1 1 calc R U . . .
H23B H 0.1796 0.4149 0.4633 0.055 Uiso 1 1 calc R U . . .
H23C H 0.2823 0.4798 0.4782 0.055 Uiso 1 1 calc R U . . .
C24 C 0.6242(4) 0.4361(2) 0.3338(2) 0.0340(8) Uani 1 1 d . . . . .
H24A H 0.6062 0.4877 0.3250 0.051 Uiso 1 1 calc R U . . .
H24B H 0.6452 0.4153 0.2870 0.051 Uiso 1 1 calc R U . . .
H24C H 0.6983 0.4295 0.3806 0.051 Uiso 1 1 calc R U . . .
C25 C 0.4309(3) 0.0691(2) 0.1546(2) 0.0304(7) Uani 1 1 d . . . . .
C26 C 0.3877(3) 0.1248(2) 0.0979(2) 0.0299(7) Uani 1 1 d . . . . .
C27 C 0.2590(4) 0.1474(2) 0.1011(2) 0.0341(8) Uani 1 1 d . . . . .
C28 C 0.2218(3) 0.1020(2) 0.1585(2) 0.0354(9) Uani 1 1 d . . . . .
C29 C 0.3270(4) 0.0554(2) 0.1929(2) 0.0328(8) Uani 1 1 d . . . . .
C30 C 0.5546(4) 0.0273(2) 0.1692(3) 0.0496(11) Uani 1 1 d . . . . .
H30A H 0.5348 -0.0229 0.1526 0.074 Uiso 1 1 calc R U . . .
H30B H 0.5999 0.0288 0.2260 0.074 Uiso 1 1 calc R U . . .
H30C H 0.6106 0.0484 0.1385 0.074 Uiso 1 1 calc R U . . .
C31 C 0.4597(5) 0.1521(3) 0.0400(2) 0.0463(10) Uani 1 1 d . . . . .
H31A H 0.5539 0.1478 0.0637 0.069 Uiso 1 1 calc R U . . .
H31B H 0.4372 0.2028 0.0277 0.069 Uiso 1 1 calc R U . . .
H31C H 0.4348 0.1235 -0.0089 0.069 Uiso 1 1 calc R U . . .
C32 C 0.1691(4) 0.1966(3) 0.0422(3) 0.0539(13) Uani 1 1 d . . . . .
H32A H 0.1111 0.1676 0.0004 0.081 Uiso 1 1 calc R U . . .
H32B H 0.2210 0.2289 0.0182 0.081 Uiso 1 1 calc R U . . .
H32C H 0.1167 0.2252 0.0696 0.081 Uiso 1 1 calc R U . . .
C33 C 0.0924(4) 0.1068(3) 0.1774(3) 0.0566(13) Uani 1 1 d . . . . .
H33A H 0.0249 0.0853 0.1340 0.085 Uiso 1 1 calc R U . . .
H33B H 0.0711 0.1576 0.1836 0.085 Uiso 1 1 calc R U . . .
H33C H 0.0966 0.0808 0.2269 0.085 Uiso 1 1 calc R U . . .
C34 C 0.3311(5) 0.0012(2) 0.2556(3) 0.0523(12) Uani 1 1 d . . . . .
H34A H 0.2746 0.0167 0.2887 0.078 Uiso 1 1 calc R U . . .
H34B H 0.4209 -0.0037 0.2887 0.078 Uiso 1 1 calc R U . . .
H34C H 0.3007 -0.0453 0.2309 0.078 Uiso 1 1 calc R U . . .
N1 N 0.5051(3) 0.34589(16) 0.13450(16) 0.0234(6) Uani 1 1 d . . . . .
N2 N 0.6790(2) 0.29961(16) 0.21272(16) 0.0230(6) Uani 1 1 d . . . . .
Cl1 Cl 0.53390(7) 0.14518(4) 0.34867(4) 0.02254(15) Uani 1 1 d . . . . .
Ge1 Ge 0.50188(3) 0.28088(2) 0.22335(2) 0.01957(9) Uani 1 1 d . . . . .
Ir1 Ir 0.39242(2) 0.17030(2) 0.21539(2) 0.02136(6) 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
C1 C4 1.531(5) . ?
C2 C4 1.526(5) . ?
C3 C4 1.522(5) . ?
C4 N1 1.477(4) . ?
C5 N1 1.329(4) . ?
C5 N2 1.332(4) . ?
C5 C6 1.493(5) . ?
C5 Ge1 2.419(3) . ?
C6 C7 1.391(5) . ?
C6 C11 1.393(5) . ?
C7 C8 1.381(6) . ?
C8 C9 1.385(6) . ?
C9 C10 1.374(6) . ?
C10 C11 1.389(5) . ?
C12 N2 1.482(4) . ?
C12 C14 1.515(6) . ?
C12 C13 1.522(6) . ?
C12 C15 1.523(5) . ?
C16 C17 1.400(5) . ?
C16 C21 1.405(5) . ?
C16 Ge1 1.950(3) . ?
C17 C18 1.398(5) . ?
C17 C24 1.510(5) . ?
C18 C19 1.394(5) . ?
C19 C20 1.399(5) . ?
C19 C23 1.506(5) . ?
C20 C21 1.395(5) . ?
C21 C22 1.516(5) . ?
C22 Ir1 2.126(3) . ?
C25 C26 1.418(5) . ?
C25 C29 1.457(5) . ?
C25 C30 1.489(5) . ?
C25 Ir1 2.245(4) . ?
C26 C27 1.445(5) . ?
C26 C31 1.506(6) . ?
C26 Ir1 2.204(3) . ?
C27 C28 1.441(6) . ?
C27 C32 1.510(6) . ?
C27 Ir1 2.160(3) . ?
C28 C29 1.414(6) . ?
C28 C33 1.499(5) . ?
C28 Ir1 2.218(3) . ?
C29 C34 1.476(6) . ?
C29 Ir1 2.243(4) . ?
N1 Ge1 1.970(3) . ?
N2 Ge1 1.970(3) . ?
Cl1 Ir1 2.4548(7) . ?
Ge1 Ir1 2.3433(4) . ?

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
N1 C4 C3 111.0(3) . . ?
N1 C4 C2 110.4(3) . . ?
C3 C4 C2 111.2(3) . . ?
N1 C4 C1 105.8(3) . . ?
C3 C4 C1 108.9(3) . . ?
C2 C4 C1 109.4(3) . . ?
N1 C5 N2 108.7(3) . . ?
N1 C5 C6 126.1(3) . . ?
N2 C5 C6 125.2(3) . . ?
N1 C5 Ge1 54.48(17) . . ?
N2 C5 Ge1 54.49(16) . . ?
C6 C5 Ge1 174.5(2) . . ?
C7 C6 C11 119.5(3) . . ?
C7 C6 C5 119.7(3) . . ?
C11 C6 C5 120.6(3) . . ?
C8 C7 C6 120.1(4) . . ?
C7 C8 C9 120.1(4) . . ?
C10 C9 C8 120.3(3) . . ?
C9 C10 C11 120.0(4) . . ?
C10 C11 C6 119.9(3) . . ?
N2 C12 C14 105.5(3) . . ?
N2 C12 C13 108.4(3) . . ?
C14 C12 C13 109.9(4) . . ?
N2 C12 C15 113.6(3) . . ?
C14 C12 C15 108.3(3) . . ?
C13 C12 C15 111.0(4) . . ?
C17 C16 C21 121.0(3) . . ?
C17 C16 Ge1 132.0(3) . . ?
C21 C16 Ge1 106.9(2) . . ?
C18 C17 C16 118.4(3) . . ?
C18 C17 C24 119.3(3) . . ?
C16 C17 C24 122.2(3) . . ?
C19 C18 C17 122.0(3) . . ?
C18 C19 C20 118.3(3) . . ?
C18 C19 C23 120.8(3) . . ?
C20 C19 C23 120.9(3) . . ?
C21 C20 C19 121.5(3) . . ?
C20 C21 C16 118.7(3) . . ?
C20 C21 C22 120.1(3) . . ?
C16 C21 C22 121.0(3) . . ?
C21 C22 Ir1 120.8(2) . . ?
C26 C25 C29 107.6(3) . . ?
C26 C25 C30 127.3(4) . . ?
C29 C25 C30 124.9(4) . . ?
C26 C25 Ir1 69.8(2) . . ?
C29 C25 Ir1 71.0(2) . . ?
C30 C25 Ir1 128.2(3) . . ?
C25 C26 C27 108.6(3) . . ?
C25 C26 C31 125.7(4) . . ?
C27 C26 C31 125.5(4) . . ?
C25 C26 Ir1 73.0(2) . . ?
C27 C26 Ir1 69.0(2) . . ?
C31 C26 Ir1 127.1(3) . . ?
C28 C27 C26 107.0(3) . . ?
C28 C27 C32 125.8(4) . . ?
C26 C27 C32 125.8(4) . . ?
C28 C27 Ir1 73.0(2) . . ?
C26 C27 Ir1 72.30(19) . . ?
C32 C27 Ir1 130.7(3) . . ?
C29 C28 C27 108.7(3) . . ?
C29 C28 C33 127.6(4) . . ?
C27 C28 C33 123.6(4) . . ?
C29 C28 Ir1 72.5(2) . . ?
C27 C28 Ir1 68.63(19) . . ?
C33 C28 Ir1 123.8(3) . . ?
C28 C29 C25 107.9(3) . . ?
C28 C29 C34 126.6(4) . . ?
C25 C29 C34 125.5(4) . . ?
C28 C29 Ir1 70.6(2) . . ?
C25 C29 Ir1 71.13(19) . . ?
C34 C29 Ir1 124.8(3) . . ?
C5 N1 C4 131.4(3) . . ?
C5 N1 Ge1 92.2(2) . . ?
C4 N1 Ge1 135.6(2) . . ?
C5 N2 C12 132.1(3) . . ?
C5 N2 Ge1 92.11(19) . . ?
C12 N2 Ge1 132.1(2) . . ?
C16 Ge1 N1 109.03(13) . . ?
C16 Ge1 N2 115.00(13) . . ?
N1 Ge1 N2 66.58(11) . . ?
C16 Ge1 Ir1 106.22(10) . . ?
N1 Ge1 Ir1 126.90(8) . . ?
N2 Ge1 Ir1 128.33(9) . . ?
C16 Ge1 C5 118.76(13) . . ?
N1 Ge1 C5 33.31(11) . . ?
N2 Ge1 C5 33.39(11) . . ?
Ir1 Ge1 C5 134.73(8) . . ?
C22 Ir1 C27 103.85(14) . . ?
C22 Ir1 C26 141.25(13) . . ?
C27 Ir1 C26 38.67(14) . . ?
C22 Ir1 C28 93.19(13) . . ?
C27 Ir1 C28 38.40(16) . . ?
C26 Ir1 C28 63.32(14) . . ?
C22 Ir1 C29 116.80(14) . . ?
C27 Ir1 C29 63.58(15) . . ?
C26 Ir1 C29 62.88(14) . . ?
C28 Ir1 C29 36.97(15) . . ?
C22 Ir1 C25 154.17(13) . . ?
C27 Ir1 C25 63.72(14) . . ?
C26 Ir1 C25 37.16(14) . . ?
C28 Ir1 C25 62.71(13) . . ?
C29 Ir1 C25 37.89(14) . . ?
C22 Ir1 Ge1 77.83(9) . . ?
C27 Ir1 Ge1 114.89(11) . . ?
C26 Ir1 Ge1 106.22(10) . . ?
C28 Ir1 Ge1 149.31(11) . . ?
C29 Ir1 Ge1 165.37(10) . . ?
C25 Ir1 Ge1 127.56(9) . . ?
C22 Ir1 Cl1 86.64(9) . . ?
C27 Ir1 Cl1 157.50(11) . . ?
C26 Ir1 Cl1 131.64(10) . . ?
C28 Ir1 Cl1 122.56(12) . . ?
C29 Ir1 Cl1 93.94(10) . . ?
C25 Ir1 Cl1 98.38(10) . . ?
Ge1 Ir1 Cl1 86.55(2) . . ?

_refine_diff_density_max         1.661
_refine_diff_density_min         -0.819
_refine_diff_density_rms         0.098

_shelxl_version_number           2014-3

