#------------------------------------------------------------------------------
#$Date: 2019-10-01 11:43:51 +0300 (Tue, 01 Oct 2019) $
#$Revision: 218959 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/42/7234263.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7234263
loop_
_publ_author_name
'Parvej Alam'
'Gurpreet Kaur'
'Vishal Kachwal'
'Asish Gupta'
'Angshuman Roy Choudhury'
'Inamur Rahaman Laskar'
_publ_section_title
;
 Highly sensitive explosive sensing by 'aggregation induced
 phosphorescence' active cyclometalated iridium(iii) complexes
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              5450
_journal_page_last               5456
_journal_paper_doi               10.1039/C5TC00963D
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C48 H39 Cl Ir N O P2'
_chemical_formula_sum            'C48 H39 Cl Ir N O P2'
_chemical_formula_weight         935.39
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_cell_angle_alpha                90
_cell_angle_beta                 97.340(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3841(11)
_cell_length_b                   13.5035(11)
_cell_length_c                   23.4174(19)
_cell_measurement_reflns_used    9807
_cell_measurement_temperature    100
_cell_measurement_theta_max      33.28
_cell_measurement_theta_min      2.31
_cell_volume                     4197.6(6)
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
        J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
        J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
        SHELXL, G.M. Sheldrick, Acta Cryst.
        (2008). A64, 112-122
;
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            71384
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.03
_diffrn_reflns_theta_min         0.88
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.357
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.6515
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
        SADABS-2008/1 (Bruker,2008) was used for absorption correction.
        wR2(int) was 0.0534 before and 0.0450 after correction.
        The Ratio of minimum to maximum transmission is 0.8723.
        The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.48
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.911
_refine_diff_density_min         -1.706
_refine_diff_density_rms         0.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         14609
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0389P)²+0.2602P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0723
_refine_ls_wR_factor_ref         0.0765
_reflns_number_gt                11413
_reflns_number_total             14609
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            J-Mater-Chem-C-2015-3-5450.cif
_cod_data_source_block           irs7a_100k_0m
_cod_database_code               7234263
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.23025(2) -0.00662(2) 0.23349(2) 0.01310(3) Uani 1 d . .
Cl1 Cl 0.39012(4) -0.06161(4) 0.20004(3) 0.01891(11) Uani 1 d . .
P1 P 0.15870(5) 0.00143(4) 0.13758(3) 0.01470(11) Uani 1 d . .
P2 P 0.28128(5) -0.05532(5) 0.32763(3) 0.01697(12) Uani 1 d . .
O1 O -0.22890(15) 0.05981(18) 0.30843(9) 0.0434(6) Uani 1 d . .
N1 N 0.28456(16) 0.14314(14) 0.24536(9) 0.0191(4) Uani 1 d . .
C12 C 0.10903(18) 0.05915(17) 0.25888(10) 0.0164(5) Uani 1 d . .
C11 C 0.0182(2) 0.01608(18) 0.26890(11) 0.0190(5) Uani 1 d . .
H11 H 0.0101 -0.0535 0.2642 0.023 Uiso 1 calc . .
C10 C -0.06078(19) 0.0710(2) 0.28553(11) 0.0231(5) Uani 1 d . .
C9 C -0.0523(2) 0.1734(2) 0.29098(12) 0.0290(6) Uani 1 d . .
H9 H -0.1076 0.2117 0.3002 0.035 Uiso 1 calc . .
C8 C 0.0368(2) 0.21855(19) 0.28298(12) 0.0278(6) Uani 1 d . .
H8 H 0.0434 0.2883 0.2875 0.033 Uiso 1 calc . .
C7 C 0.11803(19) 0.16303(17) 0.26830(10) 0.0190(5) Uani 1 d . .
C13 C 0.2161(2) 0.20742(17) 0.26301(10) 0.0199(5) Uani 1 d . .
C17 C 0.3779(2) 0.17595(19) 0.24062(11) 0.0249(5) Uani 1 d . .
H17 H 0.4255 0.1307 0.2287 0.03 Uiso 1 calc . .
C16 C 0.4080(2) 0.2730(2) 0.25231(13) 0.0330(7) Uani 1 d . .
H16 H 0.4743 0.2941 0.248 0.04 Uiso 1 calc . .
C15 C 0.3387(2) 0.3380(2) 0.27038(13) 0.0359(7) Uani 1 d . .
H15 H 0.3568 0.4049 0.2789 0.043 Uiso 1 calc . .
C14 C 0.2432(2) 0.30456(19) 0.27592(12) 0.0280(6) Uani 1 d . .
H14 H 0.1954 0.3487 0.2887 0.034 Uiso 1 calc . .
C1 C -0.1525(2) 0.0192(2) 0.29740(13) 0.0303(6) Uani 1 d . .
H13 H -0.152 -0.0511 0.2964 0.036 Uiso 1 calc . .
C18 C 0.18727(19) 0.10994(18) 0.09567(10) 0.0181(5) Uani 1 d . .
C19 C 0.1168(2) 0.15367(19) 0.05369(11) 0.0242(5) Uani 1 d . .
H19 H 0.0512 0.1262 0.0454 0.029 Uiso 1 calc . .
C20 C 0.1427(2) 0.2367(2) 0.02428(12) 0.0304(7) Uani 1 d . .
H20 H 0.0948 0.2656 -0.0043 0.037 Uiso 1 calc . .
C21 C 0.2377(3) 0.2782(2) 0.03614(14) 0.0381(8) Uani 1 d . .
H21 H 0.2545 0.3361 0.0164 0.046 Uiso 1 calc . .
C22 C 0.3081(2) 0.2348(2) 0.07697(13) 0.0369(7) Uani 1 d . .
H22 H 0.3734 0.2628 0.0852 0.044 Uiso 1 calc . .
C23 C 0.2834(2) 0.15017(19) 0.10603(11) 0.0247(5) Uani 1 d . .
H23 H 0.3327 0.1197 0.1332 0.03 Uiso 1 calc . .
C30 C 0.02077(19) -0.00190(16) 0.12782(11) 0.0175(5) Uani 1 d . .
C35 C -0.03247(19) -0.08641(19) 0.10744(10) 0.0214(5) Uani 1 d . .
H35 H 0.0029 -0.1426 0.0961 0.026 Uiso 1 calc . .
C34 C -0.1371(2) -0.0888(2) 0.10374(11) 0.0245(5) Uani 1 d . .
H34 H -0.1725 -0.1467 0.09 0.029 Uiso 1 calc . .
C33 C -0.1899(2) -0.00780(18) 0.11985(12) 0.0248(6) Uani 1 d . .
H33 H -0.2613 -0.0097 0.1168 0.03 Uiso 1 calc . .
C32 C -0.13802(19) 0.07613(19) 0.14045(11) 0.0222(5) Uani 1 d . .
H32 H -0.1741 0.1316 0.1521 0.027 Uiso 1 calc . .
C31 C -0.03408(18) 0.08014(18) 0.14425(10) 0.0186(5) Uani 1 d . .
H31 H 0.0005 0.1386 0.158 0.022 Uiso 1 calc . .
C24 C 0.18586(17) -0.10306(17) 0.09234(10) 0.0164(4) Uani 1 d . .
C25 C 0.21100(18) -0.19510(17) 0.11701(10) 0.0184(5) Uani 1 d . .
H25 H 0.2262 -0.2003 0.1577 0.022 Uiso 1 calc . .
C26 C 0.2142(2) -0.27903(18) 0.08342(11) 0.0234(5) Uani 1 d . .
H26 H 0.2292 -0.3416 0.101 0.028 Uiso 1 calc . .
C27 C 0.1955(2) -0.2716(2) 0.02375(11) 0.0261(6) Uani 1 d . .
H27 H 0.197 -0.3289 0.0004 0.031 Uiso 1 calc . .
C28 C 0.1745(2) -0.1796(2) -0.00136(11) 0.0255(6) Uani 1 d . .
H28 H 0.1643 -0.1737 -0.0421 0.031 Uiso 1 calc . .
C29 C 0.16849(19) -0.09664(19) 0.03230(10) 0.0214(5) Uani 1 d . .
H29 H 0.1523 -0.0344 0.0145 0.026 Uiso 1 calc . .
C42 C 0.32998(18) -0.18208(18) 0.33744(11) 0.0203(5) Uani 1 d . .
C47 C 0.3689(2) -0.2145(2) 0.39274(12) 0.0291(6) Uani 1 d . .
H47 H 0.3671 -0.1719 0.4248 0.035 Uiso 1 calc . .
C46 C 0.4099(2) -0.3082(2) 0.40079(13) 0.0329(7) Uani 1 d . .
H46 H 0.4354 -0.3297 0.4385 0.04 Uiso 1 calc . .
C45 C 0.4140(2) -0.3706(2) 0.35452(13) 0.0307(6) Uani 1 d . .
H45 H 0.4445 -0.4339 0.3601 0.037 Uiso 1 calc . .
C44 C 0.3736(2) -0.34077(19) 0.30026(13) 0.0265(6) Uani 1 d . .
H44 H 0.3741 -0.3846 0.2685 0.032 Uiso 1 calc . .
C43 C 0.33180(19) -0.24596(18) 0.29168(11) 0.0213(5) Uani 1 d . .
H43 H 0.3045 -0.2256 0.2541 0.026 Uiso 1 calc . .
C36 C 0.17663(19) -0.05332(18) 0.37034(10) 0.0187(5) Uani 1 d . .
C37 C 0.1181(2) -0.13870(19) 0.37288(11) 0.0242(5) Uani 1 d . .
H37 H 0.139 -0.1988 0.3569 0.029 Uiso 1 calc . .
C38 C 0.0303(2) -0.1369(2) 0.39826(12) 0.0289(6) Uani 1 d . .
H38 H -0.0092 -0.1952 0.3991 0.035 Uiso 1 calc . .
C39 C -0.0001(2) -0.0500(2) 0.42247(11) 0.0294(6) Uani 1 d . .
H39 H -0.0592 -0.0491 0.441 0.035 Uiso 1 calc . .
C40 C 0.0561(2) 0.0352(2) 0.41943(12) 0.0284(6) Uani 1 d . .
H40 H 0.0347 0.0951 0.4353 0.034 Uiso 1 calc . .
C41 C 0.1430(2) 0.0340(2) 0.39348(11) 0.0243(5) Uani 1 d . .
H41 H 0.1805 0.0934 0.3913 0.029 Uiso 1 calc . .
H1 H 0.1823(19) -0.1036(18) 0.2302(10) 0.016(6) Uiso 1 d . .
C2 C 0.3825(3) 0.0161(3) 0.37036(15) 0.0470(4) Uani 1 d . .
C6 C 0.3799(2) 0.0455(3) 0.42656(14) 0.0470(4) Uani 1 d . .
H6 H 0.3229 0.0308 0.4453 0.056 Uiso 1 calc . .
C3 C 0.4677(2) 0.0323(3) 0.34477(14) 0.0470(4) Uani 1 d . .
H2 H 0.4709 0.0091 0.3067 0.056 Uiso 1 calc . .
C4 C 0.5491(2) 0.0821(3) 0.37392(13) 0.0470(4) Uani 1 d . .
H3 H 0.6083 0.0922 0.3561 0.056 Uiso 1 calc . .
C5 C 0.5443(2) 0.1169(3) 0.42864(13) 0.0470(4) Uani 1 d . .
H4 H 0.5982 0.1548 0.4479 0.056 Uiso 1 calc . .
C1A C 0.4605(2) 0.0964(3) 0.45543(13) 0.0470(4) Uani 1 d . .
H5 H 0.4583 0.1175 0.494 0.056 Uiso 1 calc . .
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 0 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
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
Cl1 Ir1 H1 96.1(10) . .
P1 Ir1 Cl1 88.54(2) . .
P1 Ir1 H1 82.3(9) . .
P2 Ir1 Cl1 93.10(2) . .
P2 Ir1 P1 164.85(2) . .
P2 Ir1 H1 82.5(9) . .
N1 Ir1 Cl1 91.79(6) . .
N1 Ir1 P1 99.84(5) . .
N1 Ir1 P2 95.16(6) . .
N1 Ir1 H1 171.9(10) . .
C12 Ir1 Cl1 171.10(7) . .
C12 Ir1 P1 90.96(6) . .
C12 Ir1 P2 89.70(6) . .
C12 Ir1 N1 79.54(9) . .
C12 Ir1 H1 92.7(10) . .
C18 P1 Ir1 117.77(8) . .
C18 P1 C30 103.24(11) . .
C30 P1 Ir1 113.76(8) . .
C24 P1 Ir1 115.79(8) . .
C24 P1 C18 103.68(12) . .
C24 P1 C30 100.40(11) . .
C42 P2 Ir1 116.12(8) . .
C42 P2 C2 101.21(15) . .
C36 P2 Ir1 111.34(8) . .
C36 P2 C42 103.34(11) . .
C36 P2 C2 104.88(14) . .
C2 P2 Ir1 118.24(12) . .
C13 N1 Ir1 114.07(16) . .
C17 N1 Ir1 126.92(17) . .
C17 N1 C13 118.9(2) . .
C11 C12 Ir1 128.38(17) . .
C11 C12 C7 116.3(2) . .
C7 C12 Ir1 115.27(18) . .
C12 C11 H11 118.8 . .
C10 C11 C12 122.4(2) . .
C10 C11 H11 118.8 . .
C11 C10 C9 120.0(3) . .
C11 C10 C1 118.9(2) . .
C9 C10 C1 121.1(3) . .
C10 C9 H9 120.3 . .
C8 C9 C10 119.4(2) . .
C8 C9 H9 120.3 . .
C9 C8 H8 119.6 . .
C9 C8 C7 120.7(2) . .
C7 C8 H8 119.6 . .
C12 C7 C13 116.7(2) . .
C8 C7 C12 120.9(2) . .
C8 C7 C13 122.4(2) . .
N1 C13 C7 114.2(2) . .
N1 C13 C14 120.2(2) . .
C14 C13 C7 125.6(2) . .
N1 C17 H17 118.5 . .
N1 C17 C16 123.0(3) . .
C16 C17 H17 118.5 . .
C17 C16 H16 120.9 . .
C15 C16 C17 118.1(3) . .
C15 C16 H16 120.9 . .
C16 C15 H15 120.4 . .
C14 C15 C16 119.2(3) . .
C14 C15 H15 120.4 . .
C13 C14 H14 119.7 . .
C15 C14 C13 120.6(3) . .
C15 C14 H14 119.7 . .
O1 C1 C10 124.7(3) . .
O1 C1 H13 117.6 . .
C10 C1 H13 117.6 . .
C19 C18 P1 123.0(2) . .
C23 C18 P1 118.14(18) . .
C23 C18 C19 118.9(2) . .
C18 C19 H19 119.9 . .
C20 C19 C18 120.1(3) . .
C20 C19 H19 119.9 . .
C19 C20 H20 119.7 . .
C19 C20 C21 120.7(3) . .
C21 C20 H20 119.7 . .
C20 C21 H21 120.2 . .
C22 C21 C20 119.6(3) . .
C22 C21 H21 120.2 . .
C21 C22 H22 119.9 . .
C21 C22 C23 120.2(3) . .
C23 C22 H22 119.9 . .
C18 C23 C22 120.6(3) . .
C18 C23 H23 119.7 . .
C22 C23 H23 119.7 . .
C35 C30 P1 121.66(18) . .
C35 C30 C31 118.3(2) . .
C31 C30 P1 119.90(18) . .
C30 C35 H35 119.8 . .
C34 C35 C30 120.3(2) . .
C34 C35 H35 119.8 . .
C35 C34 H34 119.6 . .
C33 C34 C35 120.7(2) . .
C33 C34 H34 119.6 . .
C34 C33 H33 120.2 . .
C34 C33 C32 119.5(3) . .
C32 C33 H33 120.2 . .
C33 C32 H32 119.7 . .
C33 C32 C31 120.7(2) . .
C31 C32 H32 119.7 . .
C30 C31 H31 119.8 . .
C32 C31 C30 120.4(2) . .
C32 C31 H31 119.8 . .
C25 C24 P1 120.22(18) . .
C25 C24 C29 118.2(2) . .
C29 C24 P1 120.99(18) . .
C24 C25 H25 119.4 . .
C26 C25 C24 121.2(2) . .
C26 C25 H25 119.4 . .
C25 C26 H26 120.1 . .
C25 C26 C27 119.8(2) . .
C27 C26 H26 120.1 . .
C26 C27 H27 120.3 . .
C28 C27 C26 119.4(2) . .
C28 C27 H27 120.3 . .
C27 C28 H28 119.7 . .
C29 C28 C27 120.6(2) . .
C29 C28 H28 119.7 . .
C24 C29 H29 119.7 . .
C28 C29 C24 120.7(2) . .
C28 C29 H29 119.7 . .
C47 C42 P2 119.4(2) . .
C43 C42 P2 121.84(18) . .
C43 C42 C47 118.7(2) . .
C42 C47 H47 119.8 . .
C46 C47 C42 120.4(3) . .
C46 C47 H47 119.8 . .
C47 C46 H46 119.8 . .
C45 C46 C47 120.5(3) . .
C45 C46 H46 119.8 . .
C46 C45 H45 120.1 . .
C44 C45 C46 119.7(3) . .
C44 C45 H45 120.1 . .
C45 C44 H44 119.9 . .
C45 C44 C43 120.1(3) . .
C43 C44 H44 119.9 . .
C42 C43 C44 120.4(2) . .
C42 C43 H43 119.8 . .
C44 C43 H43 119.8 . .
C37 C36 P2 119.01(19) . .
C41 C36 P2 122.3(2) . .
C41 C36 C37 118.0(2) . .
C36 C37 H37 119.5 . .
C38 C37 C36 121.0(3) . .
C38 C37 H37 119.5 . .
C37 C38 H38 120 . .
C37 C38 C39 120.0(3) . .
C39 C38 H38 120 . .
C38 C39 H39 120.2 . .
C40 C39 C38 119.6(3) . .
C40 C39 H39 120.2 . .
C39 C40 H40 119.7 . .
C41 C40 C39 120.5(3) . .
C41 C40 H40 119.7 . .
C36 C41 H41 119.6 . .
C40 C41 C36 120.8(3) . .
C40 C41 H41 119.6 . .
C6 C2 P2 124.1(3) . .
C3 C2 P2 116.1(2) . .
C3 C2 C6 119.6(3) . .
C2 C6 H6 120.1 . .
C2 C6 C1A 119.8(3) . .
C1A C6 H6 120.1 . .
C2 C3 H2 119.7 . .
C2 C3 C4 120.5(3) . .
C4 C3 H2 119.7 . .
C3 C4 H3 120.1 . .
C5 C4 C3 119.9(3) . .
C5 C4 H3 120.1 . .
C4 C5 H4 120.2 . .
C4 C5 C1A 119.5(3) . .
C1A C5 H4 120.2 . .
C6 C1A C5 120.4(3) . .
C6 C1A H5 119.8 . .
C5 C1A H5 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 Cl1 2.4843(6) .
Ir1 P1 2.3289(7) .
Ir1 P2 2.3183(6) .
Ir1 N1 2.1550(19) .
Ir1 C12 2.005(2) .
Ir1 H1 1.46(2) .
P1 C18 1.831(2) .
P1 C30 1.832(3) .
P1 C24 1.829(2) .
P2 C42 1.836(2) .
P2 C36 1.822(3) .
P2 C2 1.849(3) .
O1 C1 1.217(3) .
N1 C13 1.364(3) .
N1 C17 1.344(3) .
C12 C11 1.394(3) .
C12 C7 1.423(3) .
C11 H11 0.95 .
C11 C10 1.388(3) .
C10 C9 1.391(4) .
C10 C1 1.470(4) .
C9 H9 0.95 .
C9 C8 1.373(4) .
C8 H8 0.95 .
C8 C7 1.399(3) .
C7 C13 1.463(3) .
C13 C14 1.384(3) .
C17 H17 0.95 .
C17 C16 1.387(4) .
C16 H16 0.95 .
C16 C15 1.381(4) .
C15 H15 0.95 .
C15 C14 1.378(4) .
C14 H14 0.95 .
C1 H13 0.95 .
C18 C19 1.403(3) .
C18 C23 1.389(3) .
C19 H19 0.95 .
C19 C20 1.383(4) .
C20 H20 0.95 .
C20 C21 1.385(4) .
C21 H21 0.95 .
C21 C22 1.384(4) .
C22 H22 0.95 .
C22 C23 1.391(4) .
C23 H23 0.95 .
C30 C35 1.397(3) .
C30 C31 1.409(3) .
C35 H35 0.95 .
C35 C34 1.392(3) .
C34 H34 0.95 .
C34 C33 1.380(4) .
C33 H33 0.95 .
C33 C32 1.383(4) .
C32 H32 0.95 .
C32 C31 1.384(3) .
C31 H31 0.95 .
C24 C25 1.394(3) .
C24 C29 1.398(3) .
C25 H25 0.95 .
C25 C26 1.383(3) .
C26 H26 0.95 .
C26 C27 1.391(4) .
C27 H27 0.95 .
C27 C28 1.387(4) .
C28 H28 0.95 .
C28 C29 1.378(3) .
C29 H29 0.95 .
C42 C47 1.403(3) .
C42 C43 1.378(3) .
C47 H47 0.95 .
C47 C46 1.381(4) .
C46 H46 0.95 .
C46 C45 1.379(4) .
C45 H45 0.95 .
C45 C44 1.376(4) .
C44 H44 0.95 .
C44 C43 1.401(3) .
C43 H43 0.95 .
C36 C37 1.400(3) .
C36 C41 1.396(4) .
C37 H37 0.95 .
C37 C38 1.383(4) .
C38 H38 0.95 .
C38 C39 1.386(4) .
C39 H39 0.95 .
C39 C40 1.382(4) .
C40 H40 0.95 .
C40 C41 1.380(4) .
C41 H41 0.95 .
C2 C6 1.379(4) .
C2 C3 1.372(5) .
C6 H6 0.95 .
C6 C1A 1.381(4) .
C3 H2 0.95 .
C3 C4 1.384(4) .
C4 H3 0.95 .
C4 C5 1.374(4) .
C5 H4 0.95 .
C5 C1A 1.381(4) .
C1A H5 0.95 .
