#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:24:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179448 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/45/4334595.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_4334595
loop_
_publ_author_name
'Qiu-Lei Xu'
'Cheng-Cheng Wang'
'Tian-Yi Li'
'Ming-Yu Teng'
'Song Zhang'
'Yi-Ming Jing'
'Xu Yang'
'Wei-Nan Li'
'Chen Lin'
'You-Xuan Zheng'
'Jing-Lin Zuo'
'Xiao-Zeng You'
_publ_section_title
;
 Syntheses, Photoluminescence, and Electroluminescence of a Series of
 Iridium Complexes with Trifluoromethyl-Substituted 2-Phenylpyridine as
 the Main Ligands and Tetraphenylimidodiphosphinate as the Ancillary
 Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4916
_journal_page_last               4925
_journal_paper_doi               10.1021/ic302510p
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         '6(C48 H34 F6 Ir N3 O2 P2), H2 O '
_chemical_formula_sum            'C288 H206 F36 Ir6 N18 O13 P12'
_chemical_formula_weight         6335.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.056(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   41.6691(12)
_cell_length_b                   15.2305(7)
_cell_length_c                   23.3920(10)
_cell_measurement_temperature    291(2)
_cell_volume                     13659.7(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0569
_diffrn_reflns_av_sigmaI/netI    0.0701
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -51
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            41301
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    3.069
_exptl_absorpt_correction_T_max  0.6733
_exptl_absorpt_correction_T_min  0.5789
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_description       block
_exptl_crystal_F_000             6260
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.036
_refine_diff_density_min         -1.493
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     848
_refine_ls_number_reflns         13432
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+1.9900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1049
_reflns_number_gt                9438
_reflns_number_total             13432
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302510p_si_004.cif
_cod_data_source_block           3
_cod_original_cell_volume        13659.7(9)
_cod_database_code               4334595
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.35878(14) 0.5541(4) 0.1612(3) 0.0467(12) Uani 1 1 d .
C2 C 0.35753(14) 0.4656(3) 0.1747(2) 0.0454(12) Uani 1 1 d .
H2 H 0.3620 0.4480 0.2151 0.055 Uiso 1 1 calc R
C3 C 0.34959(15) 0.4034(4) 0.1276(3) 0.0546(14) Uani 1 1 d .
H3 H 0.3488 0.3442 0.1367 0.066 Uiso 1 1 calc R
C4 C 0.34290(16) 0.4297(4) 0.0671(3) 0.0569(15) Uani 1 1 d .
H4 H 0.3376 0.3881 0.0357 0.068 Uiso 1 1 calc R
C5 C 0.34414(15) 0.5182(4) 0.0537(3) 0.0568(15) Uani 1 1 d .
H5 H 0.3397 0.5358 0.0132 0.068 Uiso 1 1 calc R
C6 C 0.35208(15) 0.5804(4) 0.1007(3) 0.0532(14) Uani 1 1 d .
H6 H 0.3529 0.6396 0.0917 0.064 Uiso 1 1 calc R
C7 C 0.41344(15) 0.6499(4) 0.2489(3) 0.0539(14) Uani 1 1 d .
C8 C 0.43773(14) 0.5866(4) 0.2802(3) 0.0481(13) Uani 1 1 d .
H8 H 0.4304 0.5319 0.2881 0.058 Uiso 1 1 calc R
C9 C 0.47287(14) 0.6047(4) 0.2995(3) 0.0486(14) Uani 1 1 d .
H9 H 0.4891 0.5619 0.3205 0.058 Uiso 1 1 calc R
C10 C 0.48432(15) 0.6868(4) 0.2880(3) 0.0566(15) Uani 1 1 d .
H10 H 0.5080 0.6993 0.3026 0.068 Uiso 1 1 calc R
C11 C 0.46099(16) 0.7467(4) 0.2559(2) 0.0543(14) Uani 1 1 d .
H11 H 0.4688 0.8002 0.2471 0.065 Uiso 1 1 calc R
C12 C 0.42505(15) 0.7319(4) 0.2350(3) 0.0467(12) Uani 1 1 d .
H12 H 0.4092 0.7747 0.2125 0.056 Uiso 1 1 calc R
C13 C 0.29043(14) 0.8200(3) 0.1381(2) 0.0425(12) Uani 1 1 d .
C14 C 0.29555(16) 0.8063(4) 0.0835(2) 0.0514(14) Uani 1 1 d .
H14 H 0.3142 0.7724 0.0840 0.062 Uiso 1 1 calc R
C15 C 0.27279(15) 0.8435(4) 0.0282(3) 0.0506(13) Uani 1 1 d .
H15 H 0.2762 0.8343 -0.0084 0.061 Uiso 1 1 calc R
C16 C 0.24490(15) 0.8942(4) 0.0274(3) 0.0528(14) Uani 1 1 d .
H16 H 0.2297 0.9190 -0.0096 0.063 Uiso 1 1 calc R
C17 C 0.23978(15) 0.9078(4) 0.0820(3) 0.0514(14) Uani 1 1 d .
H17 H 0.2211 0.9418 0.0815 0.062 Uiso 1 1 calc R
C18 C 0.26255(14) 0.8707(4) 0.1373(3) 0.0500(13) Uani 1 1 d .
H18 H 0.2591 0.8798 0.1738 0.060 Uiso 1 1 calc R
C19 C 0.33886(14) 0.8617(4) 0.2584(3) 0.0488(13) Uani 1 1 d .
C20 C 0.36434(15) 0.9121(3) 0.2496(3) 0.0457(12) Uani 1 1 d .
H20 H 0.3713 0.8987 0.2174 0.055 Uiso 1 1 calc R
C21 C 0.37953(15) 0.9830(4) 0.2891(2) 0.0486(13) Uani 1 1 d .
H21 H 0.3977 1.0139 0.2850 0.058 Uiso 1 1 calc R
C22 C 0.36761(14) 1.0070(4) 0.3341(3) 0.0523(14) Uani 1 1 d .
H22 H 0.3771 1.0561 0.3584 0.063 Uiso 1 1 calc R
C23 C 0.34191(15) 0.9597(4) 0.3438(3) 0.0499(13) Uani 1 1 d .
H23 H 0.3345 0.9757 0.3750 0.060 Uiso 1 1 calc R
C24 C 0.32710(16) 0.8865(4) 0.3052(3) 0.0542(14) Uani 1 1 d .
H24 H 0.3095 0.8544 0.3106 0.065 Uiso 1 1 calc R
C25 C 0.26577(13) 0.5550(3) 0.1622(2) 0.0433(12) Uani 1 1 d .
H25 H 0.2663 0.6150 0.1552 0.052 Uiso 1 1 calc R
C26 C 0.24584(16) 0.4996(4) 0.1138(3) 0.0529(14) Uani 1 1 d .
H26 H 0.2330 0.5231 0.0748 0.064 Uiso 1 1 calc R
C27 C 0.24500(13) 0.4115(3) 0.1232(2) 0.0434(12) Uani 1 1 d .
H27 H 0.2320 0.3741 0.0910 0.052 Uiso 1 1 calc R
C28 C 0.26420(15) 0.3792(4) 0.1823(3) 0.0458(12) Uani 1 1 d .
H28 H 0.2638 0.3193 0.1897 0.055 Uiso 1 1 calc R
C29 C 0.28321(13) 0.4322(3) 0.2289(2) 0.0404(11) Uani 1 1 d .
C30 C 0.30497(14) 0.4099(3) 0.2936(2) 0.0406(11) Uani 1 1 d .
C31 C 0.30875(14) 0.3232(3) 0.3141(2) 0.0434(12) Uani 1 1 d .
H31 H 0.2972 0.2777 0.2874 0.052 Uiso 1 1 calc R
C32 C 0.33000(15) 0.3068(4) 0.3750(3) 0.0513(13) Uani 1 1 d .
C33 C 0.34878(15) 0.3715(4) 0.4136(3) 0.0533(14) Uani 1 1 d .
H33 H 0.3638 0.3578 0.4539 0.064 Uiso 1 1 calc R
C34 C 0.34584(15) 0.4570(4) 0.3936(2) 0.0474(12) Uani 1 1 d .
H34 H 0.3589 0.5005 0.4206 0.057 Uiso 1 1 calc R
C35 C 0.32336(14) 0.4795(3) 0.3329(2) 0.0402(11) Uani 1 1 d .
C36 C 0.33191(15) 0.2172(4) 0.3990(3) 0.0555(15) Uani 1 1 d .
C37 C 0.27426(14) 0.6169(3) 0.3208(2) 0.0450(12) Uani 1 1 d .
C38 C 0.23937(13) 0.5869(3) 0.2923(2) 0.0421(12) Uani 1 1 d .
H38 H 0.2317 0.5590 0.2538 0.051 Uiso 1 1 calc R
C39 C 0.21643(15) 0.5994(3) 0.3221(2) 0.0467(12) Uani 1 1 d .
H39 H 0.1936 0.5793 0.3036 0.056 Uiso 1 1 calc R
C40 C 0.22768(14) 0.6419(4) 0.3795(2) 0.0448(12) Uani 1 1 d .
C41 C 0.26019(14) 0.6724(3) 0.4061(2) 0.0429(12) Uani 1 1 d .
H41 H 0.2671 0.7021 0.4438 0.051 Uiso 1 1 calc R
C42 C 0.28461(14) 0.6600(3) 0.3774(2) 0.0457(12) Uani 1 1 d .
C43 C 0.31986(14) 0.6912(4) 0.4029(2) 0.0445(12) Uani 1 1 d .
C44 C 0.33538(15) 0.7419(4) 0.4566(3) 0.0510(13) Uani 1 1 d .
H44 H 0.3218 0.7619 0.4774 0.061 Uiso 1 1 calc R
C45 C 0.36970(15) 0.7624(4) 0.4789(3) 0.0534(14) Uani 1 1 d .
H45 H 0.3801 0.7931 0.5161 0.064 Uiso 1 1 calc R
C46 C 0.38879(15) 0.7372(4) 0.4459(2) 0.0487(13) Uani 1 1 d .
H46 H 0.4122 0.7525 0.4595 0.058 Uiso 1 1 calc R
C47 C 0.37299(17) 0.6886(4) 0.3919(3) 0.0614(16) Uani 1 1 d .
H47 H 0.3860 0.6711 0.3694 0.074 Uiso 1 1 calc R
C48 C 0.20220(15) 0.6469(4) 0.4096(2) 0.0467(12) Uani 1 1 d .
C49 C 0.44297(16) 0.0047(4) 0.1353(3) 0.0543(15) Uani 1 1 d .
C50 C 0.41377(17) 0.0470(4) 0.0950(3) 0.0611(16) Uani 1 1 d .
H50 H 0.4138 0.1080 0.0928 0.073 Uiso 1 1 calc R
C51 C 0.38444(16) 0.0019(4) 0.0579(3) 0.0568(15) Uani 1 1 d .
H51 H 0.3652 0.0323 0.0307 0.068 Uiso 1 1 calc R
C52 C 0.38348(18) -0.0867(5) 0.0610(3) 0.0648(17) Uani 1 1 d .
H52 H 0.3634 -0.1172 0.0365 0.078 Uiso 1 1 calc R
C53 C 0.41342(18) -0.1333(4) 0.1020(3) 0.0616(16) Uani 1 1 d .
H53 H 0.4131 -0.1942 0.1037 0.074 Uiso 1 1 calc R
C54 C 0.44278(17) -0.0877(4) 0.1389(3) 0.0587(15) Uani 1 1 d .
H54 H 0.4623 -0.1176 0.1660 0.070 Uiso 1 1 calc R
C55 C 0.50628(16) 0.0625(4) 0.1353(3) 0.0553(14) Uani 1 1 d .
C56 C 0.52491(16) -0.0143(5) 0.1341(3) 0.0661(18) Uani 1 1 d .
H56 H 0.5246 -0.0632 0.1578 0.079 Uiso 1 1 calc R
C57 C 0.54374(17) -0.0148(4) 0.0965(3) 0.0583(15) Uani 1 1 d .
H57 H 0.5562 -0.0647 0.0945 0.070 Uiso 1 1 calc R
C58 C 0.54407(16) 0.0592(4) 0.0616(3) 0.0565(14) Uani 1 1 d .
H58 H 0.5569 0.0576 0.0369 0.068 Uiso 1 1 calc R
C59 C 0.52582(15) 0.1352(4) 0.0625(3) 0.0582(16) Uani 1 1 d .
H59 H 0.5263 0.1842 0.0392 0.070 Uiso 1 1 calc R
C60 C 0.50647(16) 0.1348(4) 0.1005(3) 0.0595(16) Uani 1 1 d .
H60 H 0.4937 0.1842 0.1019 0.071 Uiso 1 1 calc R
C61 C 0.57167(15) 0.2289(4) 0.2512(3) 0.0526(13) Uani 1 1 d .
H61 H 0.5738 0.1922 0.2843 0.063 Uiso 1 1 calc R
C62 C 0.59950(16) 0.2391(4) 0.2308(3) 0.0541(14) Uani 1 1 d .
H62 H 0.6202 0.2084 0.2504 0.065 Uiso 1 1 calc R
C63 C 0.59575(15) 0.2933(4) 0.1829(3) 0.0501(13) Uani 1 1 d .
H63 H 0.6142 0.2989 0.1701 0.060 Uiso 1 1 calc R
C64 C 0.56543(14) 0.3409(4) 0.1519(3) 0.0539(14) Uani 1 1 d .
H64 H 0.5636 0.3787 0.1196 0.065 Uiso 1 1 calc R
C65 C 0.53728(15) 0.3304(4) 0.1710(3) 0.0494(13) Uani 1 1 d .
C66 C 0.50508(15) 0.3652(4) 0.1481(3) 0.0502(13) Uani 1 1 d .
C67 C 0.49348(16) 0.4183(4) 0.0956(3) 0.0586(15) Uani 1 1 d .
H67 H 0.5070 0.4264 0.0725 0.070 Uiso 1 1 calc R
C68 C 0.46062(14) 0.4596(4) 0.0779(3) 0.0555(15) Uani 1 1 d .
C69 C 0.43972(15) 0.4436(4) 0.1104(2) 0.0484(13) Uani 1 1 d .
H69 H 0.4186 0.4730 0.0997 0.058 Uiso 1 1 calc R
C70 C 0.45040(15) 0.3827(4) 0.1599(3) 0.0526(14) Uani 1 1 d .
H70 H 0.4354 0.3666 0.1789 0.063 Uiso 1 1 calc R
C71 C 0.48410(14) 0.3469(3) 0.1800(2) 0.0449(12) Uani 1 1 d .
C72 C 0.44989(15) 0.5260(3) 0.0280(3) 0.0516(14) Uani 1 1 d .
F1 F 0.36313(8) 0.1846(2) 0.42109(15) 0.0562(8) Uani 1 1 d .
F2 F 0.31340(9) 0.1578(2) 0.36293(15) 0.0572(8) Uani 1 1 d .
F3 F 0.32472(9) 0.2134(2) 0.45024(15) 0.0568(8) Uani 1 1 d .
F4 F 0.17119(8) 0.6554(2) 0.36828(13) 0.0522(8) Uani 1 1 d .
F5 F 0.20730(9) 0.5959(2) 0.45507(14) 0.0538(8) Uani 1 1 d .
F6 F 0.20641(9) 0.7239(2) 0.44066(15) 0.0569(8) Uani 1 1 d .
F7 F 0.43399(10) 0.4929(2) -0.02446(16) 0.0656(9) Uani 1 1 d .
F8 F 0.43024(9) 0.5946(2) 0.03473(17) 0.0598(9) Uani 1 1 d .
F9 F 0.47418(8) 0.5733(2) 0.02287(14) 0.0537(8) Uani 1 1 d .
Ir1 Ir 0.312818(6) 0.597317(14) 0.292210(9) 0.04400(7) Uani 1 1 d .
Ir2 Ir 0.5000 0.26172(2) 0.2500 0.04732(9) Uani 1 2 d S
N1 N 0.34896(12) 0.7205(3) 0.1955(2) 0.0442(10) Uani 1 1 d .
N2 N 0.28379(11) 0.5227(3) 0.21746(19) 0.0416(9) Uani 1 1 d .
N3 N 0.33900(12) 0.6664(3) 0.3715(2) 0.0450(10) Uani 1 1 d .
N4 N 0.54090(12) 0.2764(3) 0.2196(2) 0.0454(10) Uani 1 1 d .
N5 N 0.5000 0.0203(5) 0.2500 0.0552(17) Uani 1 2 d S
O1 O 0.35965(10) 0.5849(2) 0.27352(17) 0.0495(9) Uani 1 1 d .
O2 O 0.29943(9) 0.7201(2) 0.24000(16) 0.0437(8) Uani 1 1 d .
O3 O 0.47383(10) 0.1812(3) 0.18940(18) 0.0541(10) Uani 1 1 d .
O1W O 0.0110(4) 0.2501(10) 0.0713(6) 0.047(3) Uani 0.25 1 d P
H1X H 0.0313 0.2679 0.0765 0.056 Uiso 0.25 1 d PR
H1Y H 0.0042 0.2121 0.0423 0.056 Uiso 0.25 1 d PR
P1 P 0.36779(4) 0.63096(9) 0.22266(6) 0.0440(3) Uani 1 1 d .
P2 P 0.31994(4) 0.77071(9) 0.21011(6) 0.0440(3) Uani 1 1 d .
P3 P 0.48204(4) 0.06484(10) 0.18463(7) 0.0514(4) Uani 1 1 d .
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
C2 C1 C6 120.0(5) . .
C2 C1 P1 118.0(4) . .
C6 C1 P1 121.9(4) . .
C1 C2 C3 120.0(5) . .
C1 C2 H2 120.0 . .
C3 C2 H2 120.0 . .
C2 C3 C4 120.0(6) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 120.0(5) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C6 C5 C4 120.0(6) . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C1 120.0(6) . .
C5 C6 H6 120.0 . .
C1 C6 H6 120.0 . .
C8 C7 C12 119.3(5) . .
C8 C7 P1 122.1(5) . .
C12 C7 P1 118.5(5) . .
C9 C8 C7 119.8(6) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C10 120.8(6) . .
C8 C9 H9 119.6 . .
C10 C9 H9 119.6 . .
C11 C10 C9 119.5(6) . .
C11 C10 H10 120.3 . .
C9 C10 H10 120.3 . .
C10 C11 C12 122.2(6) . .
C10 C11 H11 118.9 . .
C12 C11 H11 118.9 . .
C11 C12 C7 118.3(5) . .
C11 C12 H12 120.9 . .
C7 C12 H12 120.9 . .
C14 C13 C18 120.0(5) . .
C14 C13 P2 120.0(4) . .
C18 C13 P2 120.0(4) . .
C15 C14 C13 120.0(5) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C16 120.0(5) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 C17 120.0(6) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C18 C17 C16 120.0(6) . .
C18 C17 H17 120.0 . .
C16 C17 H17 120.0 . .
C17 C18 C13 120.0(6) . .
C17 C18 H18 120.0 . .
C13 C18 H18 120.0 . .
C20 C19 C24 119.0(5) . .
C20 C19 P2 120.9(4) . .
C24 C19 P2 120.0(5) . .
C19 C20 C21 120.1(5) . .
C19 C20 H20 119.9 . .
C21 C20 H20 119.9 . .
C22 C21 C20 120.3(5) . .
C22 C21 H21 119.9 . .
C20 C21 H21 119.9 . .
C21 C22 C23 121.5(5) . .
C21 C22 H22 119.3 . .
C23 C22 H22 119.3 . .
C22 C23 C24 118.6(6) . .
C22 C23 H23 120.7 . .
C24 C23 H23 120.7 . .
C19 C24 C23 120.4(6) . .
C19 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
N2 C25 C26 120.2(5) . .
N2 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C27 C26 C25 120.6(5) . .
C27 C26 H26 119.7 . .
C25 C26 H26 119.7 . .
C26 C27 C28 117.9(5) . .
C26 C27 H27 121.1 . .
C28 C27 H27 121.1 . .
C29 C28 C27 121.6(5) . .
C29 C28 H28 119.2 . .
C27 C28 H28 119.2 . .
C28 C29 N2 119.0(4) . .
C28 C29 C30 129.0(5) . .
N2 C29 C30 112.0(4) . .
C31 C30 C35 121.8(5) . .
C31 C30 C29 121.0(5) . .
C35 C30 C29 117.0(4) . .
C32 C31 C30 117.9(5) . .
C32 C31 H31 121.0 . .
C30 C31 H31 121.0 . .
C33 C32 C31 121.8(5) . .
C33 C32 C36 119.4(6) . .
C31 C32 C36 118.8(5) . .
C32 C33 C34 120.8(5) . .
C32 C33 H33 119.6 . .
C34 C33 H33 119.6 . .
C33 C34 C35 120.7(5) . .
C33 C34 H34 119.6 . .
C35 C34 H34 119.6 . .
C34 C35 C30 116.8(5) . .
C34 C35 Ir1 129.5(4) . .
C30 C35 Ir1 113.6(4) . .
F2 C36 F1 104.2(5) . .
F2 C36 F3 105.8(4) . .
F1 C36 F3 99.6(4) . .
F2 C36 C32 118.8(5) . .
F1 C36 C32 113.9(5) . .
F3 C36 C32 112.5(5) . .
C42 C37 C38 118.7(5) . .
C42 C37 Ir1 113.7(4) . .
C38 C37 Ir1 127.4(4) . .
C39 C38 C37 119.8(5) . .
C39 C38 H38 120.1 . .
C37 C38 H38 120.1 . .
C40 C39 C38 120.3(5) . .
C40 C39 H39 119.8 . .
C38 C39 H39 119.8 . .
C41 C40 C39 120.5(5) . .
C41 C40 C48 122.9(5) . .
C39 C40 C48 116.5(5) . .
C40 C41 C42 120.8(5) . .
C40 C41 H41 119.6 . .
C42 C41 H41 119.6 . .
C37 C42 C43 116.0(5) . .
C37 C42 C41 119.8(5) . .
C43 C42 C41 124.2(5) . .
N3 C43 C44 119.1(5) . .
N3 C43 C42 114.5(4) . .
C44 C43 C42 126.4(5) . .
C45 C44 C43 121.4(6) . .
C45 C44 H44 119.3 . .
C43 C44 H44 119.3 . .
C44 C45 C46 118.7(5) . .
C44 C45 H45 120.7 . .
C46 C45 H45 120.7 . .
C45 C46 C47 119.5(5) . .
C45 C46 H46 120.3 . .
C47 C46 H46 120.3 . .
N3 C47 C46 120.9(6) . .
N3 C47 H47 119.6 . .
C46 C47 H47 119.6 . .
F5 C48 F4 118.9(5) . .
F5 C48 F6 97.8(3) . .
F4 C48 F6 101.4(4) . .
F5 C48 C40 116.7(4) . .
F4 C48 C40 110.2(4) . .
F6 C48 C40 109.4(5) . .
C50 C49 C54 119.0(5) . .
C50 C49 P3 121.8(5) . .
C54 C49 P3 119.1(4) . .
C49 C50 C51 121.9(5) . .
C49 C50 H50 119.1 . .
C51 C50 H50 119.1 . .
C52 C51 C50 120.2(5) . .
C52 C51 H51 119.9 . .
C50 C51 H51 119.9 . .
C51 C52 C53 119.6(6) . .
C51 C52 H52 120.2 . .
C53 C52 H52 120.2 . .
C54 C53 C52 119.9(6) . .
C54 C53 H53 120.0 . .
C52 C53 H53 120.0 . .
C53 C54 C49 119.3(5) . .
C53 C54 H54 120.3 . .
C49 C54 H54 120.3 . .
C60 C55 C56 121.5(6) . .
C60 C55 P3 119.9(5) . .
C56 C55 P3 118.6(5) . .
C57 C56 C55 117.9(7) . .
C57 C56 H56 121.0 . .
C55 C56 H56 121.0 . .
C56 C57 C58 120.2(7) . .
C56 C57 H57 119.9 . .
C58 C57 H57 119.9 . .
C59 C58 C57 122.3(6) . .
C59 C58 H58 118.9 . .
C57 C58 H58 118.9 . .
C58 C59 C60 117.1(7) . .
C58 C59 H59 121.5 . .
C60 C59 H59 121.5 . .
C55 C60 C59 121.0(7) . .
C55 C60 H60 119.5 . .
C59 C60 H60 119.5 . .
N4 C61 C62 117.5(5) . .
N4 C61 H61 121.3 . .
C62 C61 H61 121.3 . .
C63 C62 C61 120.0(6) . .
C63 C62 H62 120.0 . .
C61 C62 H62 120.0 . .
C62 C63 C64 122.5(6) . .
C62 C63 H63 118.7 . .
C64 C63 H63 118.7 . .
C63 C64 C65 118.2(6) . .
C63 C64 H64 120.9 . .
C65 C64 H64 120.9 . .
C66 C65 N4 109.7(5) . .
C66 C65 C64 130.6(6) . .
N4 C65 C64 119.7(5) . .
C65 C66 C71 116.8(5) . .
C65 C66 C67 121.9(6) . .
C71 C66 C67 121.3(5) . .
C66 C67 C68 118.6(6) . .
C66 C67 H67 120.7 . .
C68 C67 H67 120.7 . .
C69 C68 C67 120.5(5) . .
C69 C68 C72 119.6(5) . .
C67 C68 C72 119.7(6) . .
C68 C69 C70 120.1(5) . .
C68 C69 H69 119.9 . .
C70 C69 H69 119.9 . .
C71 C70 C69 118.7(5) . .
C71 C70 H70 120.6 . .
C69 C70 H70 120.6 . .
C66 C71 C70 120.2(5) . .
C66 C71 Ir2 119.9(4) . .
C70 C71 Ir2 119.7(4) . .
F7 C72 F9 105.5(5) . .
F7 C72 F8 107.9(5) . .
F9 C72 F8 96.3(4) . .
F7 C72 C68 112.4(5) . .
F9 C72 C68 116.9(5) . .
F8 C72 C68 116.2(5) . .
C37 Ir1 C35 91.7(2) . .
C37 Ir1 N3 80.32(15) . .
C35 Ir1 N3 95.19(14) . .
C37 Ir1 N2 94.93(15) . .
C35 Ir1 N2 81.60(14) . .
N3 Ir1 N2 174.23(18) . .
C37 Ir1 O1 171.72(15) . .
C35 Ir1 O1 88.34(15) . .
N3 Ir1 O1 91.42(17) . .
N2 Ir1 O1 93.27(16) . .
C37 Ir1 O2 89.80(14) . .
C35 Ir1 O2 175.03(14) . .
N3 Ir1 O2 89.72(15) . .
N2 Ir1 O2 93.56(15) . .
O1 Ir1 O2 90.84(13) . .
O3 Ir2 O3 98.0(2) . 2_655
O3 Ir2 C71 163.8(2) . 2_655
O3 Ir2 C71 84.04(19) 2_655 2_655
O3 Ir2 C71 84.04(19) . .
O3 Ir2 C71 163.8(2) 2_655 .
C71 Ir2 C71 98.5(3) 2_655 .
O3 Ir2 N4 90.99(18) . 2_655
O3 Ir2 N4 97.04(17) 2_655 2_655
C71 Ir2 N4 72.8(2) 2_655 2_655
C71 Ir2 N4 99.0(2) . 2_655
O3 Ir2 N4 97.04(17) . .
O3 Ir2 N4 90.99(18) 2_655 .
C71 Ir2 N4 99.0(2) 2_655 .
C71 Ir2 N4 72.8(2) . .
N4 Ir2 N4 167.8(2) 2_655 .
P1 N1 P2 129.4(3) . .
C25 N2 C29 120.7(3) . .
C25 N2 Ir1 123.7(3) . .
C29 N2 Ir1 115.6(2) . .
C43 N3 C47 120.4(3) . .
C43 N3 Ir1 115.2(3) . .
C47 N3 Ir1 124.4(3) . .
C65 N4 C61 122.1(5) . .
C65 N4 Ir2 120.5(4) . .
C61 N4 Ir2 117.4(4) . .
P3 N5 P3 128.8(5) 2_655 .
P1 O1 Ir1 127.5(2) . .
P2 O2 Ir1 129.0(2) . .
P3 O3 Ir2 128.2(2) . .
H1X O1W H1Y 109.5 . .
O1 P1 N1 118.9(2) . .
O1 P1 C1 106.67(18) . .
N1 P1 C1 109.22(18) . .
O1 P1 C7 109.81(19) . .
N1 P1 C7 107.2(2) . .
C1 P1 C7 104.2(3) . .
O2 P2 N1 118.3(2) . .
O2 P2 C19 107.2(2) . .
N1 P2 C19 109.33(19) . .
O2 P2 C13 109.91(17) . .
N1 P2 C13 107.30(18) . .
C19 P2 C13 103.9(2) . .
N5 P3 C55 116.2(2) . .
N5 P3 O3 113.0(3) . .
C55 P3 O3 103.0(3) . .
N5 P3 C49 111.4(2) . .
C55 P3 C49 99.76(19) . .
O3 P3 C49 112.63(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.390(8) .
C1 C6 1.390(8) .
C1 P1 1.777(6) .
C2 C3 1.390(8) .
C2 H2 0.9300 .
C3 C4 1.390(9) .
C3 H3 0.9300 .
C4 C5 1.390(9) .
C4 H4 0.9300 .
C5 C6 1.390(8) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.382(8) .
C7 C12 1.423(8) .
C7 P1 1.779(6) .
C8 C9 1.380(8) .
C8 H8 0.9300 .
C9 C10 1.402(8) .
C9 H9 0.9300 .
C10 C11 1.330(9) .
C10 H10 0.9300 .
C11 C12 1.400(8) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.390(7) .
C13 C18 1.390(8) .
C13 P2 1.814(5) .
C14 C15 1.390(7) .
C14 H14 0.9300 .
C15 C16 1.390(8) .
C15 H15 0.9300 .
C16 C17 1.390(8) .
C16 H16 0.9300 .
C17 C18 1.390(8) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C20 1.388(8) .
C19 C24 1.414(8) .
C19 P2 1.767(6) .
C20 C21 1.401(7) .
C20 H20 0.9300 .
C21 C22 1.377(8) .
C21 H21 0.9300 .
C22 C23 1.381(8) .
C22 H22 0.9300 .
C23 C24 1.416(8) .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 N2 1.310(5) .
C25 C26 1.394(7) .
C25 H25 0.9300 .
C26 C27 1.363(8) .
C26 H26 0.9300 .
C27 C28 1.389(8) .
C27 H27 0.9300 .
C28 C29 1.339(7) .
C28 H28 0.9300 .
C29 N2 1.405(5) .
C29 C30 1.467(7) .
C30 C31 1.393(7) .
C30 C35 1.416(7) .
C31 C32 1.374(8) .
C31 H31 0.9300 .
C32 C33 1.358(8) .
C32 C36 1.466(8) .
C33 C34 1.372(8) .
C33 H33 0.9300 .
C34 C35 1.403(7) .
C34 H34 0.9300 .
C35 Ir1 1.998(5) .
C36 F2 1.270(7) .
C36 F1 1.296(6) .
C36 F3 1.346(6) .
C37 C42 1.387(7) .
C37 C38 1.417(8) .
C37 Ir1 1.990(6) .
C38 C39 1.400(8) .
C38 H38 0.9300 .
C39 C40 1.396(7) .
C39 H39 0.9300 .
C40 C41 1.333(8) .
C40 C48 1.487(8) .
C41 C42 1.435(8) .
C41 H41 0.9300 .
C42 C43 1.433(7) .
C43 N3 1.333(5) .
C43 C44 1.399(7) .
C44 C45 1.353(8) .
C44 H44 0.9300 .
C45 C46 1.363(8) .
C45 H45 0.9300 .
C46 C47 1.389(8) .
C46 H46 0.9300 .
C47 N3 1.348(6) .
C47 H47 0.9300 .
C48 F5 1.267(5) .
C48 F4 1.281(5) .
C48 F6 1.355(6) .
C49 C50 1.374(8) .
C49 C54 1.409(6) .
C49 P3 1.830(6) .
C50 C51 1.374(6) .
C50 H50 0.9300 .
C51 C52 1.353(9) .
C51 H51 0.9300 .
C52 C53 1.429(9) .
C52 H52 0.9300 .
C53 C54 1.378(9) .
C53 H53 0.9300 .
C54 H54 0.9300 .
C55 C60 1.371(9) .
C55 C56 1.411(9) .
C55 P3 1.807(7) .
C56 C57 1.390(8) .
C56 H56 0.9300 .
C57 C58 1.394(9) .
C57 H57 0.9300 .
C58 C59 1.390(9) .
C58 H58 0.9300 .
C59 C60 1.414(9) .
C59 H59 0.9300 .
C60 H60 0.9300 .
C61 N4 1.405(7) .
C61 C62 1.426(8) .
C61 H61 0.9300 .
C62 C63 1.350(8) .
C62 H62 0.9300 .
C63 C64 1.389(8) .
C63 H63 0.9300 .
C64 C65 1.417(8) .
C64 H64 0.9300 .
C65 C66 1.344(8) .
C65 N4 1.362(7) .
C66 C71 1.381(8) .
C66 C67 1.390(8) .
C67 C68 1.413(8) .
C67 H67 0.9300 .
C68 C69 1.384(8) .
C68 C72 1.475(8) .
C69 C70 1.413(8) .
C69 H69 0.9300 .
C70 C71 1.404(8) .
C70 H70 0.9300 .
C71 Ir2 1.989(6) .
C72 F7 1.250(7) .
C72 F9 1.286(6) .
C72 F8 1.374(6) .
Ir1 N3 2.037(4) .
Ir1 N2 2.039(4) .
Ir1 O1 2.169(4) .
Ir1 O2 2.183(4) .
Ir2 O3 1.868(4) .
Ir2 O3 1.868(4) 2_655
Ir2 C71 1.989(6) 2_655
Ir2 N4 2.100(5) 2_655
Ir2 N4 2.100(5) .
N1 P1 1.577(4) .
N1 P2 1.577(4) .
N5 P3 1.569(4) 2_655
N5 P3 1.569(4) .
O1 P1 1.529(4) .
O2 P2 1.511(4) .
O3 P3 1.817(4) .
O1W H1X 0.8499 .
O1W H1Y 0.8501 .
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_4
C6 C1 C2 C3 0.0(8) . .
P1 C1 C2 C3 178.2(4) . .
C1 C2 C3 C4 0.0(9) . .
C2 C3 C4 C5 0.0(9) . .
C3 C4 C5 C6 0.0(9) . .
C4 C5 C6 C1 0.0(9) . .
C2 C1 C6 C5 0.0(9) . .
P1 C1 C6 C5 -178.1(4) . .
C12 C7 C8 C9 2.5(9) . .
P1 C7 C8 C9 180.0(4) . .
C7 C8 C9 C10 0.1(8) . .
C8 C9 C10 C11 -2.5(9) . .
C9 C10 C11 C12 2.4(9) . .
C10 C11 C12 C7 0.2(9) . .
C8 C7 C12 C11 -2.6(8) . .
P1 C7 C12 C11 179.8(4) . .
C18 C13 C14 C15 0.0(9) . .
P2 C13 C14 C15 179.5(4) . .
C13 C14 C15 C16 0.0(9) . .
C14 C15 C16 C17 0.0(9) . .
C15 C16 C17 C18 0.0(9) . .
C16 C17 C18 C13 0.0(9) . .
C14 C13 C18 C17 0.0(8) . .
P2 C13 C18 C17 -179.5(4) . .
C24 C19 C20 C21 3.8(8) . .
P2 C19 C20 C21 -178.8(4) . .
C19 C20 C21 C22 -4.5(8) . .
C20 C21 C22 C23 3.5(8) . .
C21 C22 C23 C24 -1.7(8) . .
C20 C19 C24 C23 -2.1(8) . .
P2 C19 C24 C23 -179.5(4) . .
C22 C23 C24 C19 1.0(8) . .
N2 C25 C26 C27 -0.5(8) . .
C25 C26 C27 C28 0.8(9) . .
C26 C27 C28 C29 -0.4(8) . .
C27 C28 C29 N2 -0.3(8) . .
C27 C28 C29 C30 -179.8(5) . .
C28 C29 C30 C31 1.4(9) . .
N2 C29 C30 C31 -178.1(4) . .
C28 C29 C30 C35 177.9(6) . .
N2 C29 C30 C35 -1.6(6) . .
C35 C30 C31 C32 2.6(8) . .
C29 C30 C31 C32 178.9(5) . .
C30 C31 C32 C33 -4.4(8) . .
C30 C31 C32 C36 174.7(5) . .
C31 C32 C33 C34 3.2(9) . .
C36 C32 C33 C34 -175.9(6) . .
C32 C33 C34 C35 0.0(9) . .
C33 C34 C35 C30 -1.7(8) . .
C33 C34 C35 Ir1 178.1(4) . .
C31 C30 C35 C34 0.4(8) . .
C29 C30 C35 C34 -176.0(5) . .
C31 C30 C35 Ir1 -179.5(4) . .
C29 C30 C35 Ir1 4.1(6) . .
C33 C32 C36 F2 177.9(5) . .
C31 C32 C36 F2 -1.2(8) . .
C33 C32 C36 F1 -58.7(8) . .
C31 C32 C36 F1 122.2(6) . .
C33 C32 C36 F3 53.7(7) . .
C31 C32 C36 F3 -125.4(5) . .
C42 C37 C38 C39 -1.5(7) . .
Ir1 C37 C38 C39 173.7(4) . .
C37 C38 C39 C40 0.6(8) . .
C38 C39 C40 C41 1.1(8) . .
C38 C39 C40 C48 -176.1(5) . .
C39 C40 C41 C42 -1.9(8) . .
C48 C40 C41 C42 175.2(5) . .
C38 C37 C42 C43 -178.1(5) . .
Ir1 C37 C42 C43 6.1(6) . .
C38 C37 C42 C41 0.8(7) . .
Ir1 C37 C42 C41 -175.1(4) . .
C40 C41 C42 C37 0.9(8) . .
C40 C41 C42 C43 179.6(5) . .
C37 C42 C43 N3 -6.5(7) . .
C41 C42 C43 N3 174.7(4) . .
C37 C42 C43 C44 174.9(5) . .
C41 C42 C43 C44 -3.9(9) . .
N3 C43 C44 C45 -3.4(8) . .
C42 C43 C44 C45 175.2(6) . .
C43 C44 C45 C46 3.9(9) . .
C44 C45 C46 C47 -2.4(9) . .
C45 C46 C47 N3 0.4(9) . .
C41 C40 C48 F5 -72.2(7) . .
C39 C40 C48 F5 104.9(5) . .
C41 C40 C48 F4 148.2(5) . .
C39 C40 C48 F4 -34.7(6) . .
C41 C40 C48 F6 37.6(7) . .
C39 C40 C48 F6 -145.3(4) . .
C54 C49 C50 C51 -0.3(9) . .
P3 C49 C50 C51 179.9(4) . .
C49 C50 C51 C52 1.0(7) . .
C50 C51 C52 C53 -1.4(10) . .
C51 C52 C53 C54 1.2(10) . .
C52 C53 C54 C49 -0.5(9) . .
C50 C49 C54 C53 0.1(7) . .
P3 C49 C54 C53 179.9(5) . .
C60 C55 C56 C57 0.2(9) . .
P3 C55 C56 C57 -179.3(5) . .
C55 C56 C57 C58 0.4(9) . .
C56 C57 C58 C59 -0.4(9) . .
C57 C58 C59 C60 -0.2(8) . .
C56 C55 C60 C59 -0.8(9) . .
P3 C55 C60 C59 178.7(4) . .
C58 C59 C60 C55 0.8(8) . .
N4 C61 C62 C63 0.4(8) . .
C61 C62 C63 C64 0.1(9) . .
C62 C63 C64 C65 -1.2(9) . .
C63 C64 C65 C66 -177.2(6) . .
C63 C64 C65 N4 1.7(8) . .
N4 C65 C66 C71 5.4(8) . .
C64 C65 C66 C71 -175.6(6) . .
N4 C65 C66 C67 -175.6(6) . .
C64 C65 C66 C67 3.4(11) . .
C65 C66 C67 C68 -173.8(6) . .
C71 C66 C67 C68 5.2(10) . .
C66 C67 C68 C69 -3.4(10) . .
C66 C67 C68 C72 171.2(6) . .
C67 C68 C69 C70 -2.9(9) . .
C72 C68 C69 C70 -177.5(6) . .
C68 C69 C70 C71 7.4(9) . .
C65 C66 C71 C70 178.4(6) . .
C67 C66 C71 C70 -0.6(9) . .
C65 C66 C71 Ir2 -6.8(8) . .
C67 C66 C71 Ir2 174.2(5) . .
C69 C70 C71 C66 -5.7(9) . .
C69 C70 C71 Ir2 179.5(4) . .
C69 C68 C72 F7 -95.4(7) . .
C67 C68 C72 F7 90.0(7) . .
C69 C68 C72 F9 142.4(6) . .
C67 C68 C72 F9 -32.2(9) . .
C69 C68 C72 F8 29.6(8) . .
C67 C68 C72 F8 -145.0(6) . .
C42 C37 Ir1 C35 91.9(4) . .
C38 C37 Ir1 C35 -83.5(5) . .
C42 C37 Ir1 N3 -3.1(4) . .
C38 C37 Ir1 N3 -178.5(5) . .
C42 C37 Ir1 N2 173.6(4) . .
C38 C37 Ir1 N2 -1.8(5) . .
C42 C37 Ir1 O1 1.6(13) . .
C38 C37 Ir1 O1 -173.8(7) . .
C42 C37 Ir1 O2 -92.9(4) . .
C38 C37 Ir1 O2 91.8(4) . .
C34 C35 Ir1 C37 -88.9(5) . .
C30 C35 Ir1 C37 91.0(4) . .
C34 C35 Ir1 N3 -8.4(5) . .
C30 C35 Ir1 N3 171.4(4) . .
C34 C35 Ir1 N2 176.4(5) . .
C30 C35 Ir1 N2 -3.8(4) . .
C34 C35 Ir1 O1 82.8(5) . .
C30 C35 Ir1 O1 -97.3(4) . .
C34 C35 Ir1 O2 163.4(14) . .
C30 C35 Ir1 O2 -17(2) . .
C66 C71 Ir2 O3 -95.3(5) . .
C70 C71 Ir2 O3 79.5(5) . .
C66 C71 Ir2 O3 2.8(10) . 2_655
C70 C71 Ir2 O3 177.6(5) . 2_655
C66 C71 Ir2 C71 100.9(5) . 2_655
C70 C71 Ir2 C71 -84.3(5) . 2_655
C66 C71 Ir2 N4 174.7(4) . 2_655
C70 C71 Ir2 N4 -10.6(5) . 2_655
C66 C71 Ir2 N4 4.0(4) . .
C70 C71 Ir2 N4 178.8(5) . .
C26 C25 N2 C29 -0.3(6) . .
C26 C25 N2 Ir1 -178.3(4) . .
C28 C29 N2 C25 0.6(6) . .
C30 C29 N2 C25 -179.8(4) . .
C28 C29 N2 Ir1 178.9(4) . .
C30 C29 N2 Ir1 -1.6(4) . .
C37 Ir1 N2 C25 90.1(3) . .
C35 Ir1 N2 C25 -178.9(3) . .
N3 Ir1 N2 C25 124.5(17) . .
O1 Ir1 N2 C25 -91.0(3) . .
O2 Ir1 N2 C25 0.0(3) . .
C37 Ir1 N2 C29 -88.0(3) . .
C35 Ir1 N2 C29 3.0(3) . .
N3 Ir1 N2 C29 -53.6(19) . .
O1 Ir1 N2 C29 90.8(3) . .
O2 Ir1 N2 C29 -178.1(3) . .
C44 C43 N3 C47 1.2(7) . .
C42 C43 N3 C47 -177.5(5) . .
C44 C43 N3 Ir1 -177.5(4) . .
C42 C43 N3 Ir1 3.8(5) . .
C46 C47 N3 C43 0.3(8) . .
C46 C47 N3 Ir1 178.9(4) . .
C37 Ir1 N3 C43 -0.4(3) . .
C35 Ir1 N3 C43 -91.3(3) . .
N2 Ir1 N3 C43 -35.3(19) . .
O1 Ir1 N3 C43 -179.7(3) . .
O2 Ir1 N3 C43 89.4(3) . .
C37 Ir1 N3 C47 -179.1(4) . .
C35 Ir1 N3 C47 90.1(4) . .
N2 Ir1 N3 C47 146.1(16) . .
O1 Ir1 N3 C47 1.6(4) . .
O2 Ir1 N3 C47 -89.2(4) . .
C66 C65 N4 C61 178.0(5) . .
C64 C65 N4 C61 -1.2(8) . .
C66 C65 N4 Ir2 -2.2(7) . .
C64 C65 N4 Ir2 178.7(4) . .
C62 C61 N4 C65 0.1(8) . .
C62 C61 N4 Ir2 -179.8(4) . .
O3 Ir2 N4 C65 80.6(4) . .
O3 Ir2 N4 C65 178.7(4) 2_655 .
C71 Ir2 N4 C65 -97.1(4) 2_655 .
C71 Ir2 N4 C65 -0.9(4) . .
N4 Ir2 N4 C65 -50.1(4) 2_655 .
O3 Ir2 N4 C61 -99.6(4) . .
O3 Ir2 N4 C61 -1.4(4) 2_655 .
C71 Ir2 N4 C61 82.7(4) 2_655 .
C71 Ir2 N4 C61 178.9(4) . .
N4 Ir2 N4 C61 129.8(4) 2_655 .
C37 Ir1 O1 P1 -113.3(10) . .
C35 Ir1 O1 P1 156.2(3) . .
N3 Ir1 O1 P1 -108.6(3) . .
N2 Ir1 O1 P1 74.7(3) . .
O2 Ir1 O1 P1 -18.9(3) . .
C37 Ir1 O2 P2 167.5(2) . .
C35 Ir1 O2 P2 -84.7(18) . .
N3 Ir1 O2 P2 87.2(3) . .
N2 Ir1 O2 P2 -97.5(3) . .
O1 Ir1 O2 P2 -4.2(3) . .
O3 Ir2 O3 P3 -16.10(18) 2_655 .
C71 Ir2 O3 P3 -112.2(6) 2_655 .
C71 Ir2 O3 P3 147.7(3) . .
N4 Ir2 O3 P3 -113.4(3) 2_655 .
N4 Ir2 O3 P3 75.9(3) . .
Ir1 O1 P1 N1 24.5(4) . .
Ir1 O1 P1 C1 -99.4(3) . .
Ir1 O1 P1 C7 148.3(2) . .
P2 N1 P1 O1 -4.0(5) . .
P2 N1 P1 C1 118.6(3) . .
P2 N1 P1 C7 -129.2(3) . .
C2 C1 P1 O1 -19.8(5) . .
C6 C1 P1 O1 158.3(4) . .
C2 C1 P1 N1 -149.5(4) . .
C6 C1 P1 N1 28.7(5) . .
C2 C1 P1 C7 96.3(5) . .
C6 C1 P1 C7 -85.6(5) . .
C8 C7 P1 O1 44.1(6) . .
C12 C7 P1 O1 -138.4(4) . .
C8 C7 P1 N1 174.5(5) . .
C12 C7 P1 N1 -8.0(5) . .
C8 C7 P1 C1 -69.8(6) . .
C12 C7 P1 C1 107.7(5) . .
Ir1 O2 P2 N1 20.4(4) . .
Ir1 O2 P2 C19 -103.7(2) . .
Ir1 O2 P2 C13 144.02(19) . .
P1 N1 P2 O2 -18.5(5) . .
P1 N1 P2 C19 104.6(4) . .
P1 N1 P2 C13 -143.4(3) . .
C20 C19 P2 O2 168.2(4) . .
C24 C19 P2 O2 -14.4(5) . .
C20 C19 P2 N1 38.9(5) . .
C24 C19 P2 N1 -143.7(4) . .
C20 C19 P2 C13 -75.4(5) . .
C24 C19 P2 C13 102.0(5) . .
C14 C13 P2 O2 -127.6(4) . .
C18 C13 P2 O2 51.9(5) . .
C14 C13 P2 N1 2.2(5) . .
C18 C13 P2 N1 -178.3(4) . .
C14 C13 P2 C19 117.9(5) . .
C18 C13 P2 C19 -62.6(5) . .
P3 N5 P3 C55 105.1(3) 2_655 .
P3 N5 P3 O3 -13.64(16) 2_655 .
P3 N5 P3 C49 -141.63(19) 2_655 .
C60 C55 P3 N5 -139.8(5) . .
C56 C55 P3 N5 39.7(6) . .
C60 C55 P3 O3 -15.7(5) . .
C56 C55 P3 O3 163.8(5) . .
C60 C55 P3 C49 100.4(5) . .
C56 C55 P3 C49 -80.1(5) . .
Ir2 O3 P3 N5 32.2(4) . .
Ir2 O3 P3 C55 -93.9(3) . .
Ir2 O3 P3 C49 159.5(2) . .
C50 C49 P3 N5 143.4(5) . .
C54 C49 P3 N5 -36.4(4) . .
C50 C49 P3 C55 -93.3(5) . .
C54 C49 P3 C55 86.9(4) . .
C50 C49 P3 O3 15.2(6) . .
C54 C49 P3 O3 -164.5(3) . .
