#------------------------------------------------------------------------------
#$Date: 2019-11-23 14:12:05 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233570 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/90/4349079.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_4349079
loop_
_publ_author_name
'Abbenseth, Josh'
'Finger, Markus'
'Würtele, Christian'
'Kasanmascheff, Müge'
'Schneider, Sven'
_publ_section_title
;
 Coupling of terminal iridium nitrido complexes
;
_journal_issue                   4
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              469
_journal_paper_doi               10.1039/C5QI00267B
_journal_volume                  3
_journal_year                    2016
_chemical_formula_sum            'C52 H104 F12 Ir2 N4 O3 P4 Sb2'
_chemical_formula_weight         1813.17
_chemical_name_common            JA-MA-130
_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2015-11-18 deposited with the CCDC.
2016-01-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.649(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.7367(8)
_cell_length_b                   15.1562(7)
_cell_length_c                   15.2970(8)
_cell_measurement_reflns_used    1524
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      34.9576
_cell_measurement_theta_min      6.2440
_cell_volume                     3342.1(3)
_computing_cell_refinement       'APEX2 v2014.9-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service v4.2.3'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Venture CMOS'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0279
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            55887
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.95
_diffrn_source                   'microfucus sealed tube'
_diffrn_source_type              'INCOATEC microfocus sealed tube'
_exptl_absorpt_coefficient_mu    4.939
_exptl_absorpt_correction_T_max  0.75
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/4 (Bruker AXS Inc.)'
_exptl_crystal_colour            'clear intense yellow'
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.046
_refine_diff_density_max         1.783
_refine_diff_density_min         -1.671
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.229
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         8353
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.226
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+10.5346P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0544
_refine_ls_wR_factor_ref         0.0600
_reflns_number_gt                7251
_reflns_number_total             8353
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5qi00267b2.cif
_cod_data_source_block           I
_cod_database_code               4349079
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.3526(3) 0.8583(3) 0.4228(3) 0.0255(8) Uani d . . . 1 . .
H H1 0.4136 0.8746 0.4311 0.031 Uiso calc U . R 1 . .
C C2 0.3118(3) 0.8998(2) 0.4730(3) 0.0227(8) Uani d . . . 1 . .
H H2 0.3414 0.9456 0.5173 0.027 Uiso calc U . R 1 . .
C C3 0.2069(3) 0.8039(2) 0.5626(3) 0.0183(7) Uani d . . . 1 . .
C C4 0.2978(3) 0.7518(3) 0.5981(3) 0.0253(8) Uani d . . . 1 . .
H H4A 0.302 0.7189 0.5448 0.038 Uiso calc U . R 1 . .
H H4B 0.2992 0.7104 0.6479 0.038 Uiso calc U . R 1 . .
H H4C 0.3503 0.7926 0.6243 0.038 Uiso calc U . R 1 . .
C C5 0.2075(3) 0.8652(3) 0.6424(3) 0.0263(9) Uani d . . . 1 . .
H H5A 0.2574 0.9087 0.6566 0.039 Uiso calc U . R 1 . .
H H5B 0.2177 0.8304 0.6997 0.039 Uiso calc U . R 1 . .
H H5C 0.1477 0.8958 0.6218 0.039 Uiso calc U . R 1 . .
C C6 0.1267(3) 0.7386(3) 0.5366(3) 0.0235(8) Uani d . . . 1 . .
H H6A 0.0677 0.7706 0.5098 0.035 Uiso calc U . R 1 . .
H H6B 0.1311 0.7066 0.5939 0.035 Uiso calc U . R 1 . .
H H6C 0.1299 0.6966 0.4892 0.035 Uiso calc U . R 1 . .
C C7 0.1269(3) 0.9647(2) 0.4243(3) 0.0226(8) Uani d . . . 1 . .
C C8 0.1288(3) 0.9993(3) 0.3306(3) 0.0292(9) Uani d . . . 1 . .
H H8A 0.1055 0.9536 0.2814 0.044 Uiso calc U . R 1 . .
H H8B 0.1927 1.0146 0.3408 0.044 Uiso calc U . R 1 . .
H H8C 0.0895 1.0519 0.3098 0.044 Uiso calc U . R 1 . .
C C9 0.1665(3) 1.0377(3) 0.4999(3) 0.0324(10) Uani d . . . 1 . .
H H9A 0.2314 1.0488 0.511 0.049 Uiso calc U . R 1 . .
H H9B 0.163 1.0188 0.5596 0.049 Uiso calc U . R 1 . .
H H9C 0.1304 1.0919 0.4772 0.049 Uiso calc U . R 1 . .
C C10 0.0278(3) 0.9419(3) 0.4107(3) 0.0280(9) Uani d . . . 1 . .
H H10A -0.0112 0.9946 0.3902 0.042 Uiso calc U . R 1 . .
H H10B 0.0278 0.9205 0.4711 0.042 Uiso calc U . R 1 . .
H H10C 0.0034 0.8958 0.362 0.042 Uiso calc U . R 1 . .
C C11 0.3593(3) 0.7482(3) 0.3185(3) 0.0276(9) Uani d . . . 1 . .
H H11 0.4211 0.7673 0.3333 0.033 Uiso calc U . R 1 . .
C C12 0.3250(3) 0.6792(3) 0.2586(3) 0.0273(9) Uani d . . . 1 . .
H H12 0.3595 0.6488 0.2292 0.033 Uiso calc U . R 1 . .
C C13 0.2176(3) 0.5406(2) 0.3001(3) 0.0238(8) Uani d . . . 1 . .
C C14 0.2952(3) 0.5491(3) 0.4001(3) 0.0348(10) Uani d . . . 1 . .
H H14A 0.3545 0.5586 0.3948 0.052 Uiso calc U . R 1 . .
H H14B 0.2985 0.4948 0.4362 0.052 Uiso calc U . R 1 . .
H H14C 0.2822 0.5992 0.4333 0.052 Uiso calc U . R 1 . .
C C15 0.1267(3) 0.5228(3) 0.3107(3) 0.0287(9) Uani d . . . 1 . .
H H15A 0.0758 0.5196 0.2474 0.043 Uiso calc U . R 1 . .
H H15B 0.1147 0.5706 0.3474 0.043 Uiso calc U . R 1 . .
H H15C 0.1313 0.4667 0.3442 0.043 Uiso calc U . R 1 . .
C C16 0.2399(4) 0.4639(3) 0.2471(3) 0.0360(11) Uani d . . . 1 . .
H H16A 0.1869 0.4534 0.1865 0.054 Uiso calc U . R 1 . .
H H16B 0.2526 0.4106 0.2864 0.054 Uiso calc U . R 1 . .
H H16C 0.2946 0.4789 0.2345 0.054 Uiso calc U . R 1 . .
C C17 0.1464(3) 0.6442(2) 0.1072(2) 0.0176(7) Uani d . . . 1 . .
C C18 0.2011(3) 0.5965(3) 0.0574(3) 0.0307(10) Uani d . . . 1 . .
H H18A 0.1679 0.6022 -0.012 0.046 Uiso calc U . R 1 . .
H H18B 0.2073 0.5339 0.0749 0.046 Uiso calc U . R 1 . .
H H18C 0.2628 0.6229 0.0774 0.046 Uiso calc U . R 1 . .
C C19 0.0517(3) 0.6009(2) 0.0796(3) 0.0212(8) Uani d . . . 1 . .
H H19A 0.0156 0.6077 0.0109 0.032 Uiso calc U . R 1 . .
H H19B 0.0188 0.6292 0.1146 0.032 Uiso calc U . R 1 . .
H H19C 0.0599 0.538 0.0958 0.032 Uiso calc U . R 1 . .
C C20 0.1345(3) 0.7410(2) 0.0742(3) 0.0216(7) Uani d . . . 1 . .
H H20A 0.1038 0.7433 0.0044 0.032 Uiso calc U . R 1 . .
H H20B 0.1956 0.7691 0.0953 0.032 Uiso calc U . R 1 . .
H H20C 0.0967 0.7721 0.1019 0.032 Uiso calc U . R 1 . .
O O1 0.5317(4) 0.7201(4) 0.5276(4) 0.0898(18) Uani d U . D 1 . .
C C21 0.5869(5) 0.7151(5) 0.4783(5) 0.0653(18) Uani d U . D 1 . .
H H21A 0.5477 0.7165 0.409 0.078 Uiso calc U . R 1 . .
H H21B 0.6209 0.6583 0.4929 0.078 Uiso calc U . R 1 . .
C C22 0.6525(4) 0.7870(4) 0.5024(4) 0.0555(15) Uani d U . D 1 . .
H H22A 0.6438 0.8226 0.4453 0.067 Uiso calc U . R 1 . .
H H22B 0.7169 0.7645 0.5305 0.067 Uiso calc U . R 1 . .
C C23 0.6314(4) 0.8413(4) 0.5749(4) 0.0442(12) Uani d U . D 1 . .
H H23A 0.6892 0.8598 0.6285 0.053 Uiso calc U . R 1 . .
H H23B 0.5945 0.8943 0.5449 0.053 Uiso calc U . R 1 . .
C C24 0.5765(5) 0.7787(4) 0.6083(4) 0.0639(19) Uani d U . D 1 . .
H H24A 0.6177 0.7454 0.6652 0.077 Uiso calc U . R 1 . .
H H24B 0.5298 0.8109 0.6243 0.077 Uiso calc U . R 1 . .
O O2 0.496(3) 0.5486(4) 0.2371(11) 0.040(3) Uani d U P D 0.5 A -1
C C25 0.4679(8) 0.4726(8) 0.1786(7) 0.040(2) Uani d U P D 0.5 A -1
H H25A 0.4951 0.4736 0.1303 0.048 Uiso calc U P R 0.5 A -1
H H25B 0.3995 0.4715 0.1447 0.048 Uiso calc U P R 0.5 A -1
C C26 0.500(4) 0.3943(5) 0.2386(14) 0.041(3) Uani d U P D 0.5 A -1
H H26A 0.5595 0.3729 0.2398 0.049 Uiso calc U P R 0.5 A -1
H H26B 0.4533 0.3462 0.2158 0.049 Uiso calc U P R 0.5 A -1
C C27 0.5101(11) 0.4268(7) 0.3360(8) 0.057(3) Uani d U P D 0.5 A -1
H H27A 0.4526 0.4164 0.3461 0.068 Uiso calc U P R 0.5 A -1
H H27B 0.5623 0.3966 0.3871 0.068 Uiso calc U P R 0.5 A -1
C C28 0.5289(7) 0.5234(7) 0.3349(8) 0.039(2) Uani d U P D 0.5 A -1
H H28A 0.496 0.5567 0.3675 0.047 Uiso calc U P R 0.5 A -1
H H28B 0.5962 0.5353 0.3678 0.047 Uiso calc U P R 0.5 A -1
F F1 0.5 0.8496(3) 0.25 0.0639(15) Uani d T P S 1 . .
F F2 0.4892(2) 0.9722(2) 0.1242(2) 0.0568(9) Uani d . . . 1 . .
F F3 0.5 1.0938(3) 0.25 0.098(3) Uani d T P S 1 . .
F F4 0.3724(2) 0.9707(3) 0.2086(3) 0.0845(14) Uani d . . . 1 . .
F F5 0.00627(19) 0.64247(14) 0.66556(17) 0.0289(5) Uani d . . . 1 . .
F F6 0.12927(18) 0.72854(17) 0.81184(19) 0.0348(6) Uani d . . . 1 . .
F F7 0.00601(18) 0.81713(14) 0.66601(17) 0.0280(5) Uani d . . . 1 . .
P P1 0.19676(6) 0.86188(6) 0.44990(6) 0.01477(17) Uani d . . . 1 . .
P P2 0.20810(6) 0.65013(6) 0.23949(6) 0.01521(17) Uani d . . . 1 . .
Sb Sb1 0.5 0.97175(3) 0.25 0.02746(9) Uani d T P S 1 . .
Sb Sb2 0 0.72961(2) 0.75 0.01779(7) Uani d T P S 1 . .
Ir Ir1 0.17433(2) 0.76236(2) 0.32485(2) 0.01148(4) Uani d . . . 1 . .
N N1 0.3066(2) 0.7915(2) 0.3586(2) 0.0203(6) Uani d . . . 1 . .
N N2 0.0393(2) 0.75107(17) 0.2698(2) 0.0123(5) Uani d . . . 1 . .
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'
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'
Sb Sb -0.5866 1.5461 '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 0.0060 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
C2 C1 N1 . . 120.9(4)
C1 C2 P1 . . 114.4(3)
C6 C3 C4 . . 108.3(3)
C6 C3 C5 . . 110.0(3)
C4 C3 C5 . . 109.0(3)
C6 C3 P1 . . 107.8(2)
C4 C3 P1 . . 106.9(3)
C5 C3 P1 . . 114.7(3)
C10 C7 C8 . . 110.5(3)
C10 C7 C9 . . 110.4(3)
C8 C7 C9 . . 107.5(3)
C10 C7 P1 . . 108.9(3)
C8 C7 P1 . . 104.6(3)
C9 C7 P1 . . 114.7(3)
C12 C11 N1 . . 121.5(4)
C11 C12 P2 . . 113.8(3)
C15 C13 C14 . . 108.3(4)
C15 C13 C16 . . 110.2(4)
C14 C13 C16 . . 109.3(3)
C15 C13 P2 . . 108.5(3)
C14 C13 P2 . . 107.0(3)
C16 C13 P2 . . 113.4(3)
C19 C17 C20 . . 110.0(3)
C19 C17 C18 . . 109.9(3)
C20 C17 C18 . . 107.7(3)
C19 C17 P2 . . 110.3(2)
C20 C17 P2 . . 104.6(2)
C18 C17 P2 . . 114.2(3)
C21 O1 C24 . . 107.8(5)
O1 C21 C22 . . 111.4(5)
C21 C22 C23 . . 104.6(4)
C24 C23 C22 . . 103.3(5)
O1 C24 C23 . . 104.2(4)
C25 O2 C28 . . 109.6(9)
O2 C25 C26 . . 108.8(11)
C25 C26 C27 . . 103.3(12)
C28 C27 C26 . . 104.6(10)
O2 C28 C27 . . 106.5(9)
C2 P1 C7 . . 103.75(18)
C2 P1 C3 . . 105.08(17)
C7 P1 C3 . . 114.23(18)
C2 P1 Ir1 . . 100.17(14)
C7 P1 Ir1 . . 118.99(12)
C3 P1 Ir1 . . 112.08(11)
C12 P2 C17 . . 103.97(18)
C12 P2 C13 . . 105.3(2)
C17 P2 C13 . . 113.39(17)
C12 P2 Ir1 . . 100.30(14)
C17 P2 Ir1 . . 120.49(12)
C13 P2 Ir1 . . 111.04(12)
F4 Sb1 F4 . 2_655 179.0(3)
F4 Sb1 F3 . . 90.50(15)
F4 Sb1 F3 2_655 . 90.49(15)
F4 Sb1 F1 . . 89.50(15)
F4 Sb1 F1 2_655 . 89.51(15)
F3 Sb1 F1 . . 180.0
F4 Sb1 F2 . 2_655 89.48(17)
F4 Sb1 F2 2_655 2_655 90.52(17)
F3 Sb1 F2 . 2_655 89.79(11)
F1 Sb1 F2 . 2_655 90.21(11)
F4 Sb1 F2 . . 90.53(17)
F4 Sb1 F2 2_655 . 89.48(17)
F3 Sb1 F2 . . 89.79(11)
F1 Sb1 F2 . . 90.21(11)
F2 Sb1 F2 2_655 . 179.6(2)
F6 Sb2 F6 . 2_556 179.01(16)
F6 Sb2 F7 . 2_556 90.18(11)
F6 Sb2 F7 2_556 2_556 90.52(12)
F6 Sb2 F7 . . 90.52(12)
F6 Sb2 F7 2_556 . 90.18(11)
F7 Sb2 F7 2_556 . 89.96(14)
F6 Sb2 F5 . 2_556 89.58(12)
F6 Sb2 F5 2_556 2_556 89.73(12)
F7 Sb2 F5 2_556 2_556 89.73(10)
F7 Sb2 F5 . 2_556 179.67(11)
F6 Sb2 F5 . . 89.73(12)
F6 Sb2 F5 2_556 . 89.58(12)
F7 Sb2 F5 2_556 . 179.67(11)
F7 Sb2 F5 . . 89.73(10)
F5 Sb2 F5 2_556 . 90.59(14)
N2 Ir1 N1 . . 168.04(12)
N2 Ir1 P2 . . 98.49(8)
N1 Ir1 P2 . . 81.79(10)
N2 Ir1 P1 . . 100.90(8)
N1 Ir1 P1 . . 81.12(10)
P2 Ir1 P1 . . 158.58(3)
C11 N1 C1 . . 115.1(3)
C11 N1 Ir1 . . 122.2(3)
C1 N1 Ir1 . . 122.6(3)
N2 N2 Ir1 2 . 172.2(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 C2 . 1.339(6)
C1 N1 . 1.394(5)
C2 P1 . 1.795(4)
C3 C6 . 1.526(5)
C3 C4 . 1.530(5)
C3 C5 . 1.531(5)
C3 P1 . 1.884(4)
C7 C10 . 1.528(6)
C7 C8 . 1.539(6)
C7 C9 . 1.540(5)
C7 P1 . 1.855(4)
C11 C12 . 1.353(6)
C11 N1 . 1.380(5)
C12 P2 . 1.798(4)
C13 C15 . 1.526(6)
C13 C14 . 1.533(6)
C13 C16 . 1.537(5)
C13 P2 . 1.877(4)
C17 C19 . 1.525(5)
C17 C20 . 1.538(5)
C17 C18 . 1.539(5)
C17 P2 . 1.863(4)
O1 C21 . 1.361(7)
O1 C24 . 1.453(7)
C21 C22 . 1.444(9)
C22 C23 . 1.521(8)
C23 C24 . 1.504(7)
O2 C25 . 1.416(13)
O2 C28 . 1.425(15)
C25 C26 . 1.460(16)
C26 C27 . 1.514(17)
C27 C28 . 1.494(13)
F1 Sb1 . 1.851(4)
F2 Sb1 . 1.863(3)
F3 Sb1 . 1.849(5)
F4 Sb1 . 1.848(3)
F5 Sb2 . 1.877(2)
F6 Sb2 . 1.868(3)
F7 Sb2 . 1.875(2)
P1 Ir1 . 2.3489(9)
P2 Ir1 . 2.3319(9)
Sb1 F4 2_655 1.848(3)
Sb1 F2 2_655 1.863(3)
Sb2 F6 2_556 1.868(3)
Sb2 F7 2_556 1.875(2)
Sb2 F5 2_556 1.877(2)
Ir1 N2 . 1.954(3)
Ir1 N1 . 1.983(3)
N2 N2 2 1.138(6)
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
N1 C1 C2 P1 0.0(5)
N1 C11 C12 P2 -1.0(5)
C24 O1 C21 C22 -17.8(9)
O1 C21 C22 C23 -0.7(8)
C21 C22 C23 C24 17.9(7)
C21 O1 C24 C23 28.7(8)
C22 C23 C24 O1 -27.9(7)
C28 O2 C25 C26 -11.(4)
O2 C25 C26 C27 24.(4)
C25 C26 C27 C28 -27.(3)
C25 O2 C28 C27 -6.(4)
C26 C27 C28 O2 21.(3)
C1 C2 P1 C7 -128.8(3)
C1 C2 P1 C3 110.9(3)
C1 C2 P1 Ir1 -5.4(3)
C10 C7 P1 C2 -175.7(3)
C8 C7 P1 C2 66.1(3)
C9 C7 P1 C2 -51.4(4)
C10 C7 P1 C3 -61.9(3)
C8 C7 P1 C3 179.9(2)
C9 C7 P1 C3 62.4(4)
C10 C7 P1 Ir1 74.2(3)
C8 C7 P1 Ir1 -44.0(3)
C9 C7 P1 Ir1 -161.5(3)
C6 C3 P1 C2 -156.5(3)
C4 C3 P1 C2 -40.3(3)
C5 C3 P1 C2 80.6(3)
C6 C3 P1 C7 90.4(3)
C4 C3 P1 C7 -153.3(3)
C5 C3 P1 C7 -32.4(3)
C6 C3 P1 Ir1 -48.7(3)
C4 C3 P1 Ir1 67.6(3)
C5 C3 P1 Ir1 -171.5(2)
C11 C12 P2 C17 129.9(3)
C11 C12 P2 C13 -110.7(3)
C11 C12 P2 Ir1 4.7(3)
C19 C17 P2 C12 167.7(3)
C20 C17 P2 C12 -74.0(3)
C18 C17 P2 C12 43.5(3)
C19 C17 P2 C13 54.0(3)
C20 C17 P2 C13 172.2(2)
C18 C17 P2 C13 -70.3(3)
C19 C17 P2 Ir1 -81.1(3)
C20 C17 P2 Ir1 37.1(3)
C18 C17 P2 Ir1 154.6(2)
C15 C13 P2 C12 165.0(3)
C14 C13 P2 C12 48.3(3)
C16 C13 P2 C12 -72.2(4)
C15 C13 P2 C17 -82.0(3)
C14 C13 P2 C17 161.3(3)
C16 C13 P2 C17 40.8(4)
C15 C13 P2 Ir1 57.3(3)
C14 C13 P2 Ir1 -59.3(3)
C16 C13 P2 Ir1 -179.9(3)
C12 C11 N1 C1 176.8(4)
C12 C11 N1 Ir1 -4.6(5)
C2 C1 N1 C11 -173.9(4)
C2 C1 N1 Ir1 7.5(5)
