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

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

data_m1980
_database_code_depnum_ccdc_archive 'CCDC 1827435'
_audit_update_record             
;
2018-03-05 deposited with the CCDC.
2018-05-01 downloaded from the CCDC.
;
# Data collected solved and refined by Yael Diskin-Posner 
# start Validation Reply Form
_vrf_PLAT910_m1980               
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min)          17 Note  
RESPONSE: Data were collected on a dual source diffractometer. These missing reflections
hide behind the beam stop.
;
# end Validation Reply Form
_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C37 H54 Ir N P2'
_chemical_formula_sum            'C37 H54 Ir N P2'
_chemical_formula_weight         766.95

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'
P P 0.1023 0.0942 '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'

_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                   9.1192(4)
_cell_length_b                   10.6683(5)
_cell_length_c                   17.8231(5)
_cell_angle_alpha                93.180(3)
_cell_angle_beta                 92.823(3)
_cell_angle_gamma                95.767(4)
_cell_volume                     1719.89(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    11899
_cell_measurement_theta_min      3.6390
_cell_measurement_theta_max      29.7610

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_F_000             780
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.027
_exptl_crystal_size_min          0.013
_exptl_absorpt_coefficient_mu    4.000
_shelx_estimated_absorpt_T_min   0.572
_shelx_estimated_absorpt_T_max   0.950
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_correction_T_min  0.982
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.4c (Rigaku Oxford Diffraction, 2015)
Analytical numeric absorption correction using a multifaceted crystal
			model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'XtaLAB Pro: Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32278
_diffrn_reflns_av_unetI/netI     0.0525
_diffrn_reflns_av_R_equivalents  0.0614
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         3.394
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             7852
_reflns_number_gt                6949
_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 1.171.39.4c (Rigaku OD, 2015)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.4c (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.4c (Rigaku OD, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0344P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7852
_refine_ls_number_parameters     383
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0306
_refine_ls_wR_factor_ref         0.0692
_refine_ls_wR_factor_gt          0.0667
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_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
Ir1 Ir 0.36059(2) 0.65194(2) 0.22700(2) 0.01464(5) Uani 1 1 d . . . . .
H1 H 0.4996 0.6174 0.1744 0.049(13) Uiso 1 1 d R . . . .
P1 P 0.23891(9) 0.45412(8) 0.19651(5) 0.01625(17) Uani 1 1 d . . . . .
P2 P 0.54389(9) 0.81046(8) 0.26801(5) 0.01749(18) Uani 1 1 d . . . . .
N1 N 0.4622(3) 0.5519(3) 0.31225(16) 0.0182(6) Uani 1 1 d . . . . .
C1 C 0.2512(4) 0.3925(3) 0.29108(18) 0.0196(7) Uani 1 1 d . . . . .
H1A H 0.1672 0.4170 0.3197 0.024 Uiso 1 1 calc R U . . .
H1B H 0.2442 0.2992 0.2862 0.024 Uiso 1 1 calc R U . . .
C2 C 0.3936(4) 0.4422(3) 0.3337(2) 0.0226(8) Uani 1 1 d . . . . .
C3 C 0.4526(4) 0.3798(4) 0.3921(2) 0.0344(10) Uani 1 1 d . . . . .
H3 H 0.4020 0.3039 0.4071 0.041 Uiso 1 1 calc R U . . .
C4 C 0.5844(5) 0.4275(4) 0.4285(3) 0.0436(12) Uani 1 1 d . . . . .
H4 H 0.6249 0.3860 0.4693 0.052 Uiso 1 1 calc R U . . .
C5 C 0.6569(4) 0.5371(4) 0.4045(2) 0.0367(10) Uani 1 1 d . . . . .
H5 H 0.7490 0.5709 0.4283 0.044 Uiso 1 1 calc R U . . .
C6 C 0.5946(4) 0.5977(3) 0.3456(2) 0.0244(8) Uani 1 1 d . . . . .
C7 C 0.6723(4) 0.7124(3) 0.3141(2) 0.0227(7) Uani 1 1 d . . . . .
H7A H 0.7421 0.6852 0.2772 0.027 Uiso 1 1 calc R U . . .
H7B H 0.7303 0.7637 0.3554 0.027 Uiso 1 1 calc R U . . .
C8 C 0.3440(4) 0.3449(3) 0.1369(2) 0.0234(8) Uani 1 1 d . . . . .
C9 C 0.4940(4) 0.3355(3) 0.1784(2) 0.0294(9) Uani 1 1 d . . . . .
H9A H 0.5443 0.4204 0.1900 0.044 Uiso 1 1 calc R U . . .
H9B H 0.5548 0.2866 0.1464 0.044 Uiso 1 1 calc R U . . .
H9C H 0.4785 0.2934 0.2253 0.044 Uiso 1 1 calc R U . . .
C10 C 0.3751(5) 0.4007(4) 0.0614(2) 0.0303(9) Uani 1 1 d . . . . .
H10A H 0.2826 0.4215 0.0372 0.046 Uiso 1 1 calc R U . . .
H10B H 0.4187 0.3389 0.0289 0.046 Uiso 1 1 calc R U . . .
H10C H 0.4440 0.4774 0.0698 0.046 Uiso 1 1 calc R U . . .
C11 C 0.2662(4) 0.2110(3) 0.1220(2) 0.0298(9) Uani 1 1 d . . . . .
H11A H 0.2376 0.1771 0.1698 0.045 Uiso 1 1 calc R U . . .
H11B H 0.3334 0.1569 0.0981 0.045 Uiso 1 1 calc R U . . .
H11C H 0.1779 0.2133 0.0887 0.045 Uiso 1 1 calc R U . . .
C12 C 0.0351(4) 0.4253(3) 0.16949(19) 0.0206(7) Uani 1 1 d . . . . .
C13 C -0.0441(4) 0.5275(3) 0.2104(2) 0.0269(8) Uani 1 1 d . . . . .
H13A H -0.0269 0.5237 0.2649 0.040 Uiso 1 1 calc R U . . .
H13B H -0.1503 0.5131 0.1972 0.040 Uiso 1 1 calc R U . . .
H13C H -0.0055 0.6108 0.1952 0.040 Uiso 1 1 calc R U . . .
C14 C -0.0384(4) 0.2970(3) 0.1903(2) 0.0255(8) Uani 1 1 d . . . . .
H14A H 0.0022 0.2293 0.1611 0.038 Uiso 1 1 calc R U . . .
H14B H -0.1451 0.2925 0.1790 0.038 Uiso 1 1 calc R U . . .
H14C H -0.0191 0.2872 0.2442 0.038 Uiso 1 1 calc R U . . .
C15 C 0.0119(4) 0.4401(4) 0.0844(2) 0.0283(8) Uani 1 1 d . . . . .
H15A H 0.0633 0.5206 0.0715 0.043 Uiso 1 1 calc R U . . .
H15B H -0.0938 0.4387 0.0711 0.043 Uiso 1 1 calc R U . . .
H15C H 0.0516 0.3705 0.0565 0.043 Uiso 1 1 calc R U . . .
C16 C 0.6629(4) 0.8920(3) 0.1976(2) 0.0235(8) Uani 1 1 d . . . . .
C17 C 0.6863(4) 0.7980(4) 0.1321(2) 0.0284(8) Uani 1 1 d . . . . .
H17A H 0.7295 0.7251 0.1516 0.043 Uiso 1 1 calc R U . . .
H17B H 0.7531 0.8391 0.0973 0.043 Uiso 1 1 calc R U . . .
H17C H 0.5912 0.7698 0.1054 0.043 Uiso 1 1 calc R U . . .
C18 C 0.5817(4) 0.9977(3) 0.1660(2) 0.0305(9) Uani 1 1 d . . . . .
H18A H 0.4807 0.9644 0.1491 0.046 Uiso 1 1 calc R U . . .
H18B H 0.6335 1.0313 0.1234 0.046 Uiso 1 1 calc R U . . .
H18C H 0.5788 1.0654 0.2053 0.046 Uiso 1 1 calc R U . . .
C19 C 0.8179(4) 0.9439(4) 0.2317(2) 0.0320(9) Uani 1 1 d . . . . .
H19A H 0.8078 1.0035 0.2745 0.048 Uiso 1 1 calc R U . . .
H19B H 0.8738 0.9871 0.1934 0.048 Uiso 1 1 calc R U . . .
H19C H 0.8702 0.8738 0.2487 0.048 Uiso 1 1 calc R U . . .
C20 C 0.5049(4) 0.9293(3) 0.3459(2) 0.0227(7) Uani 1 1 d . . . . .
C21 C 0.3658(4) 0.9909(4) 0.3224(2) 0.0276(8) Uani 1 1 d . . . . .
H21A H 0.3843 1.0388 0.2779 0.041 Uiso 1 1 calc R U . . .
H21B H 0.3407 1.0479 0.3638 0.041 Uiso 1 1 calc R U . . .
H21C H 0.2835 0.9252 0.3106 0.041 Uiso 1 1 calc R U . . .
C22 C 0.6295(4) 1.0339(4) 0.3693(2) 0.0299(9) Uani 1 1 d . . . . .
H22A H 0.7196 0.9958 0.3831 0.045 Uiso 1 1 calc R U . . .
H22B H 0.6008 1.0850 0.4124 0.045 Uiso 1 1 calc R U . . .
H22C H 0.6475 1.0875 0.3271 0.045 Uiso 1 1 calc R U . . .
C23 C 0.4748(4) 0.8537(4) 0.4158(2) 0.0293(8) Uani 1 1 d . . . . .
H23A H 0.4041 0.7798 0.4017 0.044 Uiso 1 1 calc R U . . .
H23B H 0.4339 0.9072 0.4543 0.044 Uiso 1 1 calc R U . . .
H23C H 0.5674 0.8259 0.4359 0.044 Uiso 1 1 calc R U . . .
C24 C 0.2674(3) 0.7477(3) 0.14165(18) 0.0160(7) Uani 1 1 d . . . . .
C25 C 0.1648(4) 0.8355(3) 0.1537(2) 0.0214(7) Uani 1 1 d . . . . .
H25 H 0.1309 0.8485 0.2028 0.026 Uiso 1 1 calc R U . . .
C26 C 0.1112(4) 0.9039(3) 0.0961(2) 0.0247(8) Uani 1 1 d . . . . .
H26 H 0.0425 0.9629 0.1070 0.030 Uiso 1 1 calc R U . . .
C27 C 0.1549(4) 0.8885(4) 0.0238(2) 0.0274(8) Uani 1 1 d . . . . .
H27 H 0.1185 0.9364 -0.0151 0.033 Uiso 1 1 calc R U . . .
C28 C 0.2535(4) 0.8012(3) 0.0095(2) 0.0263(8) Uani 1 1 d . . . . .
H28 H 0.2853 0.7881 -0.0400 0.032 Uiso 1 1 calc R U . . .
C29 C 0.3065(4) 0.7324(3) 0.06677(19) 0.0219(7) Uani 1 1 d . . . . .
H29 H 0.3726 0.6719 0.0547 0.026 Uiso 1 1 calc R U . . .
C30 C 0.2084(3) 0.6917(3) 0.30551(19) 0.0176(7) Uani 1 1 d . . . . .
C31 C 0.1336(4) 0.7081(3) 0.3589(2) 0.0206(7) Uani 1 1 d . . . . .
C32 C 0.0608(4) 0.7324(3) 0.42689(19) 0.0214(7) Uani 1 1 d . . . . .
C33 C 0.0731(4) 0.6554(4) 0.4867(2) 0.0321(9) Uani 1 1 d . . . . .
H33 H 0.1259 0.5833 0.4812 0.039 Uiso 1 1 calc R U . . .
C34 C 0.0100(5) 0.6811(5) 0.5544(2) 0.0414(11) Uani 1 1 d . . . . .
H34 H 0.0217 0.6280 0.5948 0.050 Uiso 1 1 calc R U . . .
C35 C -0.0691(4) 0.7830(4) 0.5628(2) 0.0354(10) Uani 1 1 d . . . . .
H35 H -0.1114 0.8012 0.6094 0.042 Uiso 1 1 calc R U . . .
C36 C -0.0874(4) 0.8588(4) 0.5042(2) 0.0306(9) Uani 1 1 d . . . . .
H36 H -0.1453 0.9277 0.5096 0.037 Uiso 1 1 calc R U . . .
C37 C -0.0212(4) 0.8351(3) 0.4367(2) 0.0254(8) Uani 1 1 d . . . . .
H37 H -0.0321 0.8896 0.3969 0.031 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir1 C24 2.074(3) . ?
Ir1 C30 2.075(3) . ?
Ir1 N1 2.132(3) . ?
Ir1 P1 2.3072(9) . ?
Ir1 P2 2.3158(9) . ?
Ir1 H1 1.6716 . ?
P1 C1 1.845(3) . ?
P1 C12 1.887(3) . ?
P1 C8 1.895(4) . ?
P2 C7 1.841(3) . ?
P2 C16 1.891(4) . ?
P2 C20 1.899(4) . ?
N1 C6 1.352(4) . ?
N1 C2 1.354(4) . ?
C1 C2 1.504(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C3 1.382(5) . ?
C3 C4 1.374(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.384(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.501(5) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C10 1.529(5) . ?
C8 C11 1.533(5) . ?
C8 C9 1.538(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C14 1.535(5) . ?
C12 C13 1.537(5) . ?
C12 C15 1.540(5) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.528(5) . ?
C16 C17 1.535(5) . ?
C16 C19 1.547(5) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C22 1.535(5) . ?
C20 C21 1.537(5) . ?
C20 C23 1.543(5) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C29 1.403(5) . ?
C24 C25 1.404(5) . ?
C25 C26 1.390(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.373(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.380(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.385(5) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 C31 1.213(5) . ?
C31 C32 1.433(5) . ?
C32 C33 1.390(5) . ?
C32 C37 1.395(5) . ?
C33 C34 1.386(6) . ?
C33 H33 0.9500 . ?
C34 C35 1.370(6) . ?
C34 H34 0.9500 . ?
C35 C36 1.370(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.395(5) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?

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
C24 Ir1 C30 95.68(13) . . ?
C24 Ir1 N1 178.03(11) . . ?
C30 Ir1 N1 86.29(12) . . ?
C24 Ir1 P1 98.49(9) . . ?
C30 Ir1 P1 91.76(9) . . ?
N1 Ir1 P1 81.48(8) . . ?
C24 Ir1 P2 96.86(9) . . ?
C30 Ir1 P2 97.51(9) . . ?
N1 Ir1 P2 82.80(8) . . ?
P1 Ir1 P2 161.16(3) . . ?
C24 Ir1 H1 91.8 . . ?
C30 Ir1 H1 171.8 . . ?
N1 Ir1 H1 86.2 . . ?
P1 Ir1 H1 90.4 . . ?
P2 Ir1 H1 78.2 . . ?
C1 P1 C12 102.77(15) . . ?
C1 P1 C8 103.95(16) . . ?
C12 P1 C8 110.01(16) . . ?
C1 P1 Ir1 97.69(11) . . ?
C12 P1 Ir1 123.49(11) . . ?
C8 P1 Ir1 115.10(12) . . ?
C7 P2 C16 102.33(16) . . ?
C7 P2 C20 103.76(17) . . ?
C16 P2 C20 109.66(16) . . ?
C7 P2 Ir1 98.37(11) . . ?
C16 P2 Ir1 119.94(12) . . ?
C20 P2 Ir1 118.94(11) . . ?
C6 N1 C2 119.6(3) . . ?
C6 N1 Ir1 120.4(2) . . ?
C2 N1 Ir1 120.0(2) . . ?
C2 C1 P1 111.6(2) . . ?
C2 C1 H1A 109.3 . . ?
P1 C1 H1A 109.3 . . ?
C2 C1 H1B 109.3 . . ?
P1 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
N1 C2 C3 121.0(3) . . ?
N1 C2 C1 116.8(3) . . ?
C3 C2 C1 122.1(3) . . ?
C4 C3 C2 120.1(4) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 118.6(4) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
N1 C6 C5 120.6(3) . . ?
N1 C6 C7 117.1(3) . . ?
C5 C6 C7 122.3(3) . . ?
C6 C7 P2 112.7(2) . . ?
C6 C7 H7A 109.1 . . ?
P2 C7 H7A 109.1 . . ?
C6 C7 H7B 109.1 . . ?
P2 C7 H7B 109.1 . . ?
H7A C7 H7B 107.8 . . ?
C10 C8 C11 108.7(3) . . ?
C10 C8 C9 107.2(3) . . ?
C11 C8 C9 108.1(3) . . ?
C10 C8 P1 110.4(2) . . ?
C11 C8 P1 114.3(3) . . ?
C9 C8 P1 107.8(2) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C14 C12 C13 107.1(3) . . ?
C14 C12 C15 110.3(3) . . ?
C13 C12 C15 107.4(3) . . ?
C14 C12 P1 114.4(2) . . ?
C13 C12 P1 108.7(2) . . ?
C15 C12 P1 108.7(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 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C16 C17 108.0(3) . . ?
C18 C16 C19 110.9(3) . . ?
C17 C16 C19 106.8(3) . . ?
C18 C16 P2 108.5(2) . . ?
C17 C16 P2 109.7(2) . . ?
C19 C16 P2 112.8(3) . . ?
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 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C20 C21 108.6(3) . . ?
C22 C20 C23 107.0(3) . . ?
C21 C20 C23 109.2(3) . . ?
C22 C20 P2 116.4(3) . . ?
C21 C20 P2 108.9(2) . . ?
C23 C20 P2 106.4(2) . . ?
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 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C29 C24 C25 114.4(3) . . ?
C29 C24 Ir1 122.0(2) . . ?
C25 C24 Ir1 123.5(2) . . ?
C26 C25 C24 122.2(3) . . ?
C26 C25 H25 118.9 . . ?
C24 C25 H25 118.9 . . ?
C27 C26 C25 121.6(3) . . ?
C27 C26 H26 119.2 . . ?
C25 C26 H26 119.2 . . ?
C26 C27 C28 117.9(3) . . ?
C26 C27 H27 121.1 . . ?
C28 C27 H27 121.1 . . ?
C27 C28 C29 120.5(3) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C24 123.3(3) . . ?
C28 C29 H29 118.3 . . ?
C24 C29 H29 118.3 . . ?
C31 C30 Ir1 170.4(3) . . ?
C30 C31 C32 173.4(4) . . ?
C33 C32 C37 117.3(3) . . ?
C33 C32 C31 120.6(3) . . ?
C37 C32 C31 122.0(3) . . ?
C34 C33 C32 121.5(4) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C35 C34 C33 120.1(4) . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C36 C35 C34 120.0(4) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C37 120.1(4) . . ?
C35 C36 H36 119.9 . . ?
C37 C36 H36 119.9 . . ?
C36 C37 C32 120.9(4) . . ?
C36 C37 H37 119.5 . . ?
C32 C37 H37 119.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 P1 C1 C2 -161.7(2) . . . . ?
C8 P1 C1 C2 83.6(3) . . . . ?
Ir1 P1 C1 C2 -34.7(3) . . . . ?
C6 N1 C2 C3 3.7(5) . . . . ?
Ir1 N1 C2 C3 -175.8(3) . . . . ?
C6 N1 C2 C1 -176.3(3) . . . . ?
Ir1 N1 C2 C1 4.2(4) . . . . ?
P1 C1 C2 N1 23.2(4) . . . . ?
P1 C1 C2 C3 -156.8(3) . . . . ?
N1 C2 C3 C4 -1.3(6) . . . . ?
C1 C2 C3 C4 178.7(4) . . . . ?
C2 C3 C4 C5 -1.1(7) . . . . ?
C3 C4 C5 C6 1.1(7) . . . . ?
C2 N1 C6 C5 -3.7(5) . . . . ?
Ir1 N1 C6 C5 175.8(3) . . . . ?
C2 N1 C6 C7 173.9(3) . . . . ?
Ir1 N1 C6 C7 -6.5(4) . . . . ?
C4 C5 C6 N1 1.3(7) . . . . ?
C4 C5 C6 C7 -176.2(4) . . . . ?
N1 C6 C7 P2 26.7(4) . . . . ?
C5 C6 C7 P2 -155.7(3) . . . . ?
C16 P2 C7 C6 -153.7(3) . . . . ?
C20 P2 C7 C6 92.2(3) . . . . ?
Ir1 P2 C7 C6 -30.4(3) . . . . ?
C1 P1 C8 C10 -166.8(3) . . . . ?
C12 P1 C8 C10 83.7(3) . . . . ?
Ir1 P1 C8 C10 -61.3(3) . . . . ?
C1 P1 C8 C11 70.2(3) . . . . ?
C12 P1 C8 C11 -39.2(3) . . . . ?
Ir1 P1 C8 C11 175.8(2) . . . . ?
C1 P1 C8 C9 -50.0(3) . . . . ?
C12 P1 C8 C9 -159.4(2) . . . . ?
Ir1 P1 C8 C9 55.6(3) . . . . ?
C1 P1 C12 C14 -41.8(3) . . . . ?
C8 P1 C12 C14 68.4(3) . . . . ?
Ir1 P1 C12 C14 -150.1(2) . . . . ?
C1 P1 C12 C13 77.8(3) . . . . ?
C8 P1 C12 C13 -172.0(2) . . . . ?
Ir1 P1 C12 C13 -30.5(3) . . . . ?
C1 P1 C12 C15 -165.6(2) . . . . ?
C8 P1 C12 C15 -55.4(3) . . . . ?
Ir1 P1 C12 C15 86.1(3) . . . . ?
C7 P2 C16 C18 -168.3(3) . . . . ?
C20 P2 C16 C18 -58.6(3) . . . . ?
Ir1 P2 C16 C18 84.4(3) . . . . ?
C7 P2 C16 C17 73.9(3) . . . . ?
C20 P2 C16 C17 -176.4(2) . . . . ?
Ir1 P2 C16 C17 -33.4(3) . . . . ?
C7 P2 C16 C19 -45.0(3) . . . . ?
C20 P2 C16 C19 64.6(3) . . . . ?
Ir1 P2 C16 C19 -152.4(2) . . . . ?
C7 P2 C20 C22 73.6(3) . . . . ?
C16 P2 C20 C22 -35.1(3) . . . . ?
Ir1 P2 C20 C22 -178.6(2) . . . . ?
C7 P2 C20 C21 -163.2(2) . . . . ?
C16 P2 C20 C21 88.1(3) . . . . ?
Ir1 P2 C20 C21 -55.4(3) . . . . ?
C7 P2 C20 C23 -45.6(3) . . . . ?
C16 P2 C20 C23 -154.3(2) . . . . ?
Ir1 P2 C20 C23 62.3(3) . . . . ?
C29 C24 C25 C26 -2.1(5) . . . . ?
Ir1 C24 C25 C26 175.9(3) . . . . ?
C24 C25 C26 C27 0.6(5) . . . . ?
C25 C26 C27 C28 0.7(5) . . . . ?
C26 C27 C28 C29 -0.4(5) . . . . ?
C27 C28 C29 C24 -1.3(6) . . . . ?
C25 C24 C29 C28 2.4(5) . . . . ?
Ir1 C24 C29 C28 -175.6(3) . . . . ?
C37 C32 C33 C34 -1.8(6) . . . . ?
C31 C32 C33 C34 176.6(4) . . . . ?
C32 C33 C34 C35 1.4(7) . . . . ?
C33 C34 C35 C36 0.7(7) . . . . ?
C34 C35 C36 C37 -2.3(6) . . . . ?
C35 C36 C37 C32 1.8(6) . . . . ?
C33 C32 C37 C36 0.2(5) . . . . ?
C31 C32 C37 C36 -178.1(3) . . . . ?

_refine_diff_density_max         1.782
_refine_diff_density_min         -1.797
_refine_diff_density_rms         0.134

