# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_lama106
_database_code_depnum_ccdc_archive 'CCDC 2020037'
loop_
_audit_author_name
_audit_author_address
'Robert Langer'
;Martin Luther University Halle Wittenberg
Germany
;
_audit_update_record             
;
2020-07-29 deposited with the CCDC.	2020-11-30 downloaded from the CCDC.
;
_audit_creation_date             2016-05-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H46 Cl2 Ir P4, Cl'
_chemical_formula_sum            'C51 H46 Cl3 Ir P4'
_chemical_formula_weight         1081.31
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   13.658(3)
_cell_length_b                   20.938(4)
_cell_length_c                   19.550(4)
_cell_angle_alpha                90
_cell_angle_beta                 100.38(3)
_cell_angle_gamma                90
_cell_volume                     5499(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    600
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.719
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.306
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2160
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1528
_diffrn_reflns_av_unetI/netI     0.1138
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            49179
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.777
_diffrn_reflns_theta_min         1.438
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'STOE IPDS2T'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7743
_reflns_number_total             11614
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.363
_refine_diff_density_min         -1.835
_refine_diff_density_rms         0.134
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.875
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         11614
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0752
_refine_ls_R_factor_gt           0.0472
_refine_ls_restrained_S_all      0.875
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0406P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1055
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C00L(H00A,H00B), C00P(H00C,H00D), C00W(H00E,H00F)
2.b Aromatic/amide H refined with riding coordinates:
 C00K(H00K), C00M(H00M), C00O(H00O), C00T(H00T), C00U(H00U), C00V(H00V),
 C00X(H00X), C00Y(H00Y), C00Z(H00Z), C010(H010), C012(H012), C013(H013),
 C014(H014), C015(H015), C016(H016), C018(H018), C019(H019), C01A(H01A),
 C01B(H01B), C01C(H01C), C01D(H01D), C01E(H01E), C01F(H01F), C01G(H01G),
 C01H(H01H), C01I(H01I), C01J(H01J), C01K(H01K), C01L(H01L), C01M(H01M),
 C01N(H01N), C01O(H01O), C01P(H01P), C01Q(H01Q), C01R(H01R), C01S(H01S),
 C01T(H01T), C01U(H01U), C01V(H01V), C1(H1)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir01 Ir 0.62963(2) 0.80173(2) 0.24082(2) 0.02279(7) Uani 1 1 d . . . . .
Cl02 Cl 0.68421(11) 0.91154(6) 0.24656(8) 0.0314(3) Uani 1 1 d . . . . .
P03 P 0.51616(12) 0.81305(6) 0.13728(8) 0.0253(3) Uani 1 1 d . . . . .
Cl04 Cl 0.76857(11) 0.78093(7) 0.18045(8) 0.0302(3) Uani 1 1 d . . . . .
P005 P 0.54134(11) 0.84108(7) 0.38169(8) 0.0251(3) Uani 1 1 d . . . . .
P06 P 0.72502(11) 0.77963(7) 0.35047(8) 0.0253(3) Uani 1 1 d . . . . .
P07 P 0.55028(11) 0.70576(7) 0.21732(8) 0.0235(3) Uani 1 1 d . . . . .
C00H C 0.8314(4) 0.8307(3) 0.3856(3) 0.0291(13) Uani 1 1 d . . . . .
C00I C 0.6066(4) 0.6362(3) 0.1853(3) 0.0252(12) Uani 1 1 d . . . . .
C00J C 0.4786(5) 0.6764(3) 0.2807(3) 0.0284(13) Uani 1 1 d . . . . .
C00K C 0.8496(5) 0.8534(3) 0.4528(3) 0.0308(14) Uani 1 1 d . . . . .
H00K H 0.8041 0.8454 0.4819 0.037 Uiso 1 1 calc R . . . .
C00L C 0.4636(5) 0.7325(3) 0.1400(3) 0.0291(13) Uani 1 1 d . . . . .
H00A H 0.3951 0.7331 0.1470 0.035 Uiso 1 1 calc R . . . .
H00B H 0.4690 0.7075 0.0990 0.035 Uiso 1 1 calc R . . . .
C00M C 0.3773(5) 0.6400(3) 0.3873(4) 0.0350(15) Uani 1 1 d . . . . .
H00M H 0.3436 0.6285 0.4228 0.042 Uiso 1 1 calc R . . . .
C00N C 0.4169(5) 0.8715(3) 0.1323(3) 0.0282(13) Uani 1 1 d . . . . .
C00O C 0.4786(5) 0.6272(3) 0.3932(3) 0.0363(15) Uani 1 1 d . . . . .
H00O H 0.5127 0.6063 0.4324 0.044 Uiso 1 1 calc R . . . .
C00P C 0.5103(4) 0.8324(3) 0.2898(3) 0.0261(12) Uani 1 1 d . . . . .
H00C H 0.4860 0.8731 0.2699 0.031 Uiso 1 1 calc R . . . .
H00D H 0.4563 0.8019 0.2792 0.031 Uiso 1 1 calc R . . . .
C00Q C 0.5727(5) 0.9222(3) 0.4085(3) 0.0304(14) Uani 1 1 d . . . . .
C00R C 0.4383(4) 0.8181(3) 0.4217(3) 0.0286(13) Uani 1 1 d . . . . .
C00S C 0.7752(4) 0.6987(3) 0.3673(3) 0.0307(12) Uani 1 1 d . . . . .
C00T C 0.6880(5) 0.5323(3) 0.1263(4) 0.0340(15) Uani 1 1 d . . . . .
H00T H 0.7160 0.4977 0.1069 0.041 Uiso 1 1 calc R . . . .
C00U C 0.5483(5) 0.8008(3) -0.0660(3) 0.0329(13) Uani 1 1 d . . . . .
H00U H 0.5218 0.7773 -0.1054 0.040 Uiso 1 1 calc R . . . .
C00V C 0.5201(5) 0.7879(3) -0.0030(3) 0.0298(14) Uani 1 1 d . . . . .
H00V H 0.4743 0.7556 -0.0001 0.036 Uiso 1 1 calc R . . . .
C00W C 0.6384(5) 0.7858(3) 0.4119(3) 0.0272(13) Uani 1 1 d . . . . .
H00E H 0.6099 0.7441 0.4177 0.033 Uiso 1 1 calc R . . . .
H00F H 0.6744 0.7995 0.4568 0.033 Uiso 1 1 calc R . . . .
C00X C 0.6006(5) 0.5745(3) 0.2132(3) 0.0289(13) Uani 1 1 d . . . . .
H00X H 0.5699 0.5681 0.2515 0.035 Uiso 1 1 calc R . . . .
C00Y C 0.7846(4) 0.6715(3) 0.4323(3) 0.0290(13) Uani 1 1 d . . . . .
H00Y H 0.7667 0.6947 0.4688 0.035 Uiso 1 1 calc R . . . .
C00Z C 0.3176(5) 0.8557(3) 0.1238(4) 0.0389(16) Uani 1 1 d . . . . .
H00Z H 0.2975 0.8132 0.1221 0.047 Uiso 1 1 calc R . . . .
C010 C 0.4543(5) 0.7876(3) 0.4866(4) 0.0337(14) Uani 1 1 d . . . . .
H010 H 0.5186 0.7781 0.5091 0.040 Uiso 1 1 calc R . . . .
C012 C 0.9006(5) 0.8428(3) 0.3421(3) 0.0318(14) Uani 1 1 d . . . . .
H012 H 0.8892 0.8279 0.2966 0.038 Uiso 1 1 calc R . . . .
C013 C 0.6532(5) 0.6446(3) 0.1281(3) 0.0319(14) Uani 1 1 d . . . . .
H013 H 0.6572 0.6853 0.1097 0.038 Uiso 1 1 calc R . . . .
C014 C 0.9853(5) 0.8769(3) 0.3676(4) 0.0358(15) Uani 1 1 d . . . . .
H014 H 1.0311 0.8847 0.3387 0.043 Uiso 1 1 calc R . . . .
C015 C 0.3765(5) 0.6882(3) 0.2753(4) 0.0376(15) Uani 1 1 d . . . . .
H015 H 0.3420 0.7084 0.2358 0.045 Uiso 1 1 calc R . . . .
C016 C 0.3416(5) 0.8329(3) 0.3896(4) 0.0382(15) Uani 1 1 d . . . . .
H016 H 0.3300 0.8541 0.3472 0.046 Uiso 1 1 calc R . . . .
C017 C 0.5594(5) 0.8226(3) 0.0559(3) 0.0291(13) Uani 1 1 d . . . . .
C018 C 0.3266(5) 0.6704(3) 0.3272(4) 0.0379(15) Uani 1 1 d . . . . .
H018 H 0.2588 0.6785 0.3226 0.045 Uiso 1 1 calc R . . . .
C019 C 0.5286(5) 0.6457(3) 0.3404(3) 0.0291(13) Uani 1 1 d . . . . .
H019 H 0.5964 0.6376 0.3449 0.035 Uiso 1 1 calc R . . . .
C01A C 0.6571(5) 0.8843(3) -0.0110(4) 0.0380(15) Uani 1 1 d . . . . .
H01A H 0.7030 0.9165 -0.0141 0.046 Uiso 1 1 calc R . . . .
C01B C 0.6419(5) 0.5225(3) 0.1822(4) 0.0327(14) Uani 1 1 d . . . . .
H01B H 0.6379 0.4815 0.1997 0.039 Uiso 1 1 calc R . . . .
C01C C 0.3738(5) 0.7719(3) 0.5167(4) 0.0410(16) Uani 1 1 d . . . . .
H01C H 0.3844 0.7515 0.5597 0.049 Uiso 1 1 calc R . . . .
C01D C 0.8211(5) 0.6091(3) 0.4436(4) 0.0383(16) Uani 1 1 d . . . . .
H01D H 0.8255 0.5900 0.4870 0.046 Uiso 1 1 calc R . . . .
C01E C 0.6198(5) 0.9330(3) 0.4766(4) 0.0369(15) Uani 1 1 d . . . . .
H01E H 0.6430 0.8990 0.5057 0.044 Uiso 1 1 calc R . . . .
C01F C 0.2775(5) 0.7859(3) 0.4844(4) 0.0448(19) Uani 1 1 d . . . . .
H01F H 0.2241 0.7750 0.5055 0.054 Uiso 1 1 calc R . . . .
C01G C 0.6170(5) 0.8495(3) -0.0701(4) 0.0362(15) Uani 1 1 d . . . . .
H01G H 0.6359 0.8587 -0.1124 0.043 Uiso 1 1 calc R . . . .
C01H C 0.5404(6) 0.9735(3) 0.3638(4) 0.0387(16) Uani 1 1 d . . . . .
H01H H 0.5121 0.9661 0.3175 0.046 Uiso 1 1 calc R . . . .
C01I C 0.4447(6) 0.9361(3) 0.1390(4) 0.0387(16) Uani 1 1 d . . . . .
H01I H 0.5120 0.9465 0.1479 0.046 Uiso 1 1 calc R . . . .
C01J C 0.2481(6) 0.9048(4) 0.1179(4) 0.0460(18) Uani 1 1 d . . . . .
H01J H 0.1808 0.8945 0.1104 0.055 Uiso 1 1 calc R . . . .
C01K C 0.6319(5) 0.9965(3) 0.5008(4) 0.0429(18) Uani 1 1 d . . . . .
H01K H 0.6629 1.0048 0.5463 0.051 Uiso 1 1 calc R . . . .
C01L C 0.9353(5) 0.8884(3) 0.4775(4) 0.0354(15) Uani 1 1 d . . . . .
H01L H 0.9469 0.9042 0.5227 0.042 Uiso 1 1 calc R . . . .
C01M C 0.5978(5) 1.0458(3) 0.4569(4) 0.0440(18) Uani 1 1 d . . . . .
H01M H 0.6065 1.0876 0.4731 0.053 Uiso 1 1 calc R . . . .
C01N C 1.0039(5) 0.8994(3) 0.4334(4) 0.0357(15) Uani 1 1 d . . . . .
H01N H 1.0620 0.9222 0.4494 0.043 Uiso 1 1 calc R . . . .
C01O C 0.3757(7) 0.9840(3) 0.1329(4) 0.052(2) Uani 1 1 d . . . . .
H01O H 0.3953 1.0266 0.1355 0.063 Uiso 1 1 calc R . . . .
C01P C 0.6940(5) 0.5927(3) 0.0978(4) 0.0350(14) Uani 1 1 d . . . . .
H01P H 0.7245 0.5985 0.0594 0.042 Uiso 1 1 calc R . . . .
C01Q C 0.8508(5) 0.5761(3) 0.3891(4) 0.0418(17) Uani 1 1 d . . . . .
H01Q H 0.8773 0.5352 0.3964 0.050 Uiso 1 1 calc R . . . .
C01R C 0.8413(5) 0.6032(3) 0.3255(4) 0.0393(16) Uani 1 1 d . . . . .
H01R H 0.8600 0.5805 0.2890 0.047 Uiso 1 1 calc R . . . .
C01S C 0.6297(5) 0.8715(3) 0.0520(4) 0.0365(15) Uani 1 1 d . . . . .
H01S H 0.6569 0.8947 0.0914 0.044 Uiso 1 1 calc R . . . .
C01T C 0.2752(7) 0.9675(4) 0.1227(4) 0.054(2) Uani 1 1 d . . . . .
H01T H 0.2268 0.9992 0.1191 0.064 Uiso 1 1 calc R . . . .
C01U C 0.2615(5) 0.8155(4) 0.4220(4) 0.055(2) Uani 1 1 d . . . . .
H01U H 0.1967 0.8245 0.4002 0.066 Uiso 1 1 calc R . . . .
C01V C 0.5512(6) 1.0353(3) 0.3897(4) 0.0448(18) Uani 1 1 d . . . . .
H01V H 0.5268 1.0696 0.3614 0.054 Uiso 1 1 calc R . . . .
Cl1 Cl 0.70850(11) 0.79900(9) 0.59090(8) 0.0375(3) Uani 1 1 d . . . . .
C1 C 0.8040(4) 0.6643(3) 0.3143(3) 0.0301(13) Uani 1 1 d . . . . .
H1 H 0.7982 0.6824 0.2703 0.036 Uiso 1 1 calc R . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir01 Cl02 2.4134(14) . ?
Ir01 P03 2.3292(18) . ?
Ir01 Cl04 2.4477(16) . ?
Ir01 P06 2.3452(18) . ?
Ir01 P07 2.2900(15) . ?
Ir01 C00P 2.134(6) . ?
P03 C00L 1.837(6) . ?
P03 C00N 1.815(6) . ?
P03 C017 1.806(6) . ?
P005 C00P 1.779(6) . ?
P005 C00Q 1.807(6) . ?
P005 C00R 1.795(6) . ?
P005 C00W 1.779(6) . ?
P06 C00H 1.835(7) . ?
P06 C00S 1.836(7) . ?
P06 C00W 1.835(6) . ?
P07 C00I 1.811(6) . ?
P07 C00J 1.819(6) . ?
P07 C00L 1.832(6) . ?
C00H C00K 1.378(9) . ?
C00H C012 1.403(9) . ?
C00I C00X 1.411(8) . ?
C00I C013 1.395(9) . ?
C00J C015 1.401(9) . ?
C00J C019 1.398(9) . ?
C00K H00K 0.9300 . ?
C00K C01L 1.392(9) . ?
C00L H00A 0.9700 . ?
C00L H00B 0.9700 . ?
C00M H00M 0.9300 . ?
C00M C00O 1.393(10) . ?
C00M C018 1.404(10) . ?
C00N C00Z 1.377(10) . ?
C00N C01I 1.405(8) . ?
C00O H00O 0.9300 . ?
C00O C019 1.392(9) . ?
C00P H00C 0.9700 . ?
C00P H00D 0.9700 . ?
C00Q C01E 1.388(9) . ?
C00Q C01H 1.404(9) . ?
C00R C010 1.402(9) . ?
C00R C016 1.391(9) . ?
C00S C00Y 1.377(9) . ?
C00S C1 1.376(9) . ?
C00T H00T 0.9300 . ?
C00T C01B 1.372(10) . ?
C00T C01P 1.390(9) . ?
C00U H00U 0.9300 . ?
C00U C00V 1.382(9) . ?
C00U C01G 1.398(9) . ?
C00V H00V 0.9300 . ?
C00V C017 1.385(9) . ?
C00W H00E 0.9700 . ?
C00W H00F 0.9700 . ?
C00X H00X 0.9300 . ?
C00X C01B 1.412(8) . ?
C00Y H00Y 0.9300 . ?
C00Y C01D 1.403(9) . ?
C00Z H00Z 0.9300 . ?
C00Z C01J 1.391(9) . ?
C010 H010 0.9300 . ?
C010 C01C 1.377(10) . ?
C012 H012 0.9300 . ?
C012 C014 1.375(9) . ?
C013 H013 0.9300 . ?
C013 C01P 1.400(9) . ?
C014 H014 0.9300 . ?
C014 C01N 1.352(10) . ?
C015 H015 0.9300 . ?
C015 C018 1.372(9) . ?
C016 H016 0.9300 . ?
C016 C01U 1.407(11) . ?
C017 C01S 1.415(9) . ?
C018 H018 0.9300 . ?
C019 H019 0.9300 . ?
C01A H01A 0.9300 . ?
C01A C01G 1.392(10) . ?
C01A C01S 1.377(9) . ?
C01B H01B 0.9300 . ?
C01C H01C 0.9300 . ?
C01C C01F 1.384(10) . ?
C01D H01D 0.9300 . ?
C01D C01Q 1.391(10) . ?
C01E H01E 0.9300 . ?
C01E C01K 1.411(9) . ?
C01F H01F 0.9300 . ?
C01F C01U 1.350(12) . ?
C01G H01G 0.9300 . ?
C01H H01H 0.9300 . ?
C01H C01V 1.389(9) . ?
C01I H01I 0.9300 . ?
C01I C01O 1.368(10) . ?
C01J H01J 0.9300 . ?
C01J C01T 1.363(11) . ?
C01K H01K 0.9300 . ?
C01K C01M 1.370(11) . ?
C01L H01L 0.9300 . ?
C01L C01N 1.402(10) . ?
C01M H01M 0.9300 . ?
C01M C01V 1.370(11) . ?
C01N H01N 0.9300 . ?
C01O H01O 0.9300 . ?
C01O C01T 1.395(12) . ?
C01P H01P 0.9300 . ?
C01Q H01Q 0.9300 . ?
C01Q C01R 1.353(10) . ?
C01R H01R 0.9300 . ?
C01R C1 1.379(9) . ?
C01S H01S 0.9300 . ?
C01T H01T 0.9300 . ?
C01U H01U 0.9300 . ?
C01V H01V 0.9300 . ?
C1 H1 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl02 Ir01 Cl04 86.11(5) . . ?
P03 Ir01 Cl02 95.45(5) . . ?
P03 Ir01 Cl04 92.94(6) . . ?
P03 Ir01 P06 170.93(5) . . ?
P06 Ir01 Cl02 91.68(5) . . ?
P06 Ir01 Cl04 93.12(6) . . ?
P07 Ir01 Cl02 167.51(5) . . ?
P07 Ir01 P03 72.43(5) . . ?
P07 Ir01 Cl04 97.31(5) . . ?
P07 Ir01 P06 100.09(5) . . ?
C00P Ir01 Cl02 86.95(16) . . ?
C00P Ir01 P03 85.24(16) . . ?
C00P Ir01 Cl04 172.62(15) . . ?
C00P Ir01 P06 89.58(16) . . ?
C00P Ir01 P07 88.97(16) . . ?
C00L P03 Ir01 94.8(2) . . ?
C00N P03 Ir01 119.3(2) . . ?
C00N P03 C00L 109.2(3) . . ?
C017 P03 Ir01 120.3(2) . . ?
C017 P03 C00L 108.6(3) . . ?
C017 P03 C00N 103.7(3) . . ?
C00P P005 C00Q 112.9(3) . . ?
C00P P005 C00R 110.5(3) . . ?
C00P P005 C00W 107.3(3) . . ?
C00R P005 C00Q 106.8(3) . . ?
C00W P005 C00Q 113.1(3) . . ?
C00W P005 C00R 106.1(3) . . ?
C00H P06 Ir01 120.0(2) . . ?
C00H P06 C00S 103.0(3) . . ?
C00H P06 C00W 105.9(3) . . ?
C00S P06 Ir01 118.3(2) . . ?
C00S P06 C00W 102.2(3) . . ?
C00W P06 Ir01 105.5(2) . . ?
C00I P07 Ir01 124.05(19) . . ?
C00I P07 C00J 106.1(3) . . ?
C00I P07 C00L 102.3(3) . . ?
C00J P07 Ir01 117.0(2) . . ?
C00J P07 C00L 108.6(3) . . ?
C00L P07 Ir01 96.28(19) . . ?
C00K C00H P06 123.6(5) . . ?
C00K C00H C012 119.3(6) . . ?
C012 C00H P06 116.9(5) . . ?
C00X C00I P07 123.0(5) . . ?
C013 C00I P07 117.3(4) . . ?
C013 C00I C00X 119.6(5) . . ?
C015 C00J P07 122.6(5) . . ?
C019 C00J P07 118.8(5) . . ?
C019 C00J C015 118.3(6) . . ?
C00H C00K H00K 119.7 . . ?
C00H C00K C01L 120.6(6) . . ?
C01L C00K H00K 119.7 . . ?
P03 C00L H00A 112.5 . . ?
P03 C00L H00B 112.5 . . ?
P07 C00L P03 96.1(3) . . ?
P07 C00L H00A 112.5 . . ?
P07 C00L H00B 112.5 . . ?
H00A C00L H00B 110.0 . . ?
C00O C00M H00M 120.4 . . ?
C00O C00M C018 119.3(6) . . ?
C018 C00M H00M 120.4 . . ?
C00Z C00N P03 123.7(5) . . ?
C00Z C00N C01I 119.1(6) . . ?
C01I C00N P03 117.2(5) . . ?
C00M C00O H00O 120.1 . . ?
C00M C00O C019 119.8(6) . . ?
C019 C00O H00O 120.1 . . ?
Ir01 C00P H00C 108.5 . . ?
Ir01 C00P H00D 108.5 . . ?
P005 C00P Ir01 114.9(3) . . ?
P005 C00P H00C 108.5 . . ?
P005 C00P H00D 108.5 . . ?
H00C C00P H00D 107.5 . . ?
C01E C00Q P005 118.4(5) . . ?
C01E C00Q C01H 120.8(6) . . ?
C01H C00Q P005 120.4(5) . . ?
C010 C00R P005 120.7(5) . . ?
C016 C00R P005 119.9(5) . . ?
C016 C00R C010 119.4(6) . . ?
C00Y C00S P06 121.0(5) . . ?
C1 C00S P06 119.7(5) . . ?
C1 C00S C00Y 119.2(6) . . ?
C01B C00T H00T 119.2 . . ?
C01B C00T C01P 121.6(6) . . ?
C01P C00T H00T 119.2 . . ?
C00V C00U H00U 120.3 . . ?
C00V C00U C01G 119.4(6) . . ?
C01G C00U H00U 120.3 . . ?
C00U C00V H00V 119.7 . . ?
C00U C00V C017 120.7(6) . . ?
C017 C00V H00V 119.7 . . ?
P005 C00W P06 111.0(3) . . ?
P005 C00W H00E 109.4 . . ?
P005 C00W H00F 109.4 . . ?
P06 C00W H00E 109.4 . . ?
P06 C00W H00F 109.4 . . ?
H00E C00W H00F 108.0 . . ?
C00I C00X H00X 120.5 . . ?
C00I C00X C01B 118.9(6) . . ?
C01B C00X H00X 120.5 . . ?
C00S C00Y H00Y 120.0 . . ?
C00S C00Y C01D 120.1(6) . . ?
C01D C00Y H00Y 120.0 . . ?
C00N C00Z H00Z 120.8 . . ?
C00N C00Z C01J 118.3(7) . . ?
C01J C00Z H00Z 120.8 . . ?
C00R C010 H010 120.4 . . ?
C01C C010 C00R 119.3(6) . . ?
C01C C010 H010 120.4 . . ?
C00H C012 H012 120.3 . . ?
C014 C012 C00H 119.3(6) . . ?
C014 C012 H012 120.3 . . ?
C00I C013 H013 119.5 . . ?
C00I C013 C01P 121.0(6) . . ?
C01P C013 H013 119.5 . . ?
C012 C014 H014 119.1 . . ?
C01N C014 C012 121.8(7) . . ?
C01N C014 H014 119.1 . . ?
C00J C015 H015 119.5 . . ?
C018 C015 C00J 121.1(6) . . ?
C018 C015 H015 119.5 . . ?
C00R C016 H016 120.3 . . ?
C00R C016 C01U 119.4(7) . . ?
C01U C016 H016 120.3 . . ?
C00V C017 P03 122.3(5) . . ?
C00V C017 C01S 120.0(6) . . ?
C01S C017 P03 117.4(5) . . ?
C00M C018 H018 119.8 . . ?
C015 C018 C00M 120.4(6) . . ?
C015 C018 H018 119.8 . . ?
C00J C019 H019 119.5 . . ?
C00O C019 C00J 121.1(6) . . ?
C00O C019 H019 119.5 . . ?
C01G C01A H01A 119.6 . . ?
C01S C01A H01A 119.6 . . ?
C01S C01A C01G 120.8(6) . . ?
C00T C01B C00X 120.3(6) . . ?
C00T C01B H01B 119.9 . . ?
C00X C01B H01B 119.9 . . ?
C010 C01C H01C 119.3 . . ?
C010 C01C C01F 121.3(7) . . ?
C01F C01C H01C 119.3 . . ?
C00Y C01D H01D 120.4 . . ?
C01Q C01D C00Y 119.1(6) . . ?
C01Q C01D H01D 120.4 . . ?
C00Q C01E H01E 120.7 . . ?
C00Q C01E C01K 118.7(7) . . ?
C01K C01E H01E 120.7 . . ?
C01C C01F H01F 120.1 . . ?
C01U C01F C01C 119.8(7) . . ?
C01U C01F H01F 120.1 . . ?
C00U C01G H01G 119.9 . . ?
C01A C01G C00U 120.1(6) . . ?
C01A C01G H01G 119.9 . . ?
C00Q C01H H01H 120.5 . . ?
C01V C01H C00Q 119.0(7) . . ?
C01V C01H H01H 120.5 . . ?
C00N C01I H01I 119.1 . . ?
C01O C01I C00N 121.9(7) . . ?
C01O C01I H01I 119.1 . . ?
C00Z C01J H01J 118.8 . . ?
C01T C01J C00Z 122.4(8) . . ?
C01T C01J H01J 118.8 . . ?
C01E C01K H01K 120.2 . . ?
C01M C01K C01E 119.7(7) . . ?
C01M C01K H01K 120.2 . . ?
C00K C01L H01L 120.4 . . ?
C00K C01L C01N 119.1(6) . . ?
C01N C01L H01L 120.4 . . ?
C01K C01M H01M 119.1 . . ?
C01K C01M C01V 121.8(6) . . ?
C01V C01M H01M 119.1 . . ?
C014 C01N C01L 119.8(6) . . ?
C014 C01N H01N 120.1 . . ?
C01L C01N H01N 120.1 . . ?
C01I C01O H01O 120.8 . . ?
C01I C01O C01T 118.4(7) . . ?
C01T C01O H01O 120.8 . . ?
C00T C01P C013 118.7(6) . . ?
C00T C01P H01P 120.6 . . ?
C013 C01P H01P 120.6 . . ?
C01D C01Q H01Q 119.9 . . ?
C01R C01Q C01D 120.2(6) . . ?
C01R C01Q H01Q 119.9 . . ?
C01Q C01R H01R 119.8 . . ?
C01Q C01R C1 120.4(6) . . ?
C1 C01R H01R 119.8 . . ?
C017 C01S H01S 120.5 . . ?
C01A C01S C017 119.0(6) . . ?
C01A C01S H01S 120.5 . . ?
C01J C01T C01O 119.8(7) . . ?
C01J C01T H01T 120.1 . . ?
C01O C01T H01T 120.1 . . ?
C016 C01U H01U 119.6 . . ?
C01F C01U C016 120.8(7) . . ?
C01F C01U H01U 119.6 . . ?
C01H C01V H01V 120.0 . . ?
C01M C01V C01H 120.0(7) . . ?
C01M C01V H01V 120.0 . . ?
C00S C1 C01R 120.9(6) . . ?
C00S C1 H1 119.6 . . ?
C01R C1 H1 119.6 . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.861 -0.339 -0.861 1489.1 512.6 ?
2 0.000 0.500 0.500 15.8 0.0 ?
3 0.500 0.000 0.000 15.8 0.0 ?
_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'

