#------------------------------------------------------------------------------
#$Date: 2016-03-21 08:01:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178590 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/01/4070196.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_4070196
loop_
_publ_author_name
'Segawa, Yasutomo'
'Yamashita, Makoto'
'Nozaki, Kyoko'
_publ_section_title
;
 Diphenylphosphino- or Dicyclohexylphosphino-Tethered Boryl Pincer
 Ligands: Syntheses of PBP Iridium(III) Complexes and Their Conversion to
 Iridium−Ethylene Complexes
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6234
_journal_paper_doi               10.1021/om9006455
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C33 H29 B Cl Ir N2 O P2'
_chemical_formula_weight         769.98
_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
_cell_angle_beta                 119.266(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.000(13)
_cell_length_b                   12.701(8)
_cell_length_c                   15.972(11)
_cell_measurement_reflns_used    4676
_cell_measurement_temperature    103.1500
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      3.0132
_cell_volume                     3008(4)
_computing_cell_refinement       'RIGAKU CrystalClear'
_computing_data_collection       'RIGAKU CrystalClear'
_computing_data_reduction        'RIGAKU CrystalClear'
_computing_molecular_graphics    ORTEP-III
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR-97
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'RIGAKU/MSC Meacury CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0457
_diffrn_reflns_av_sigmaI/netI    0.0422
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9567
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    4.664
_exptl_absorpt_correction_T_max  0.6527
_exptl_absorpt_correction_T_min  0.3885
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1512
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.744
_refine_diff_density_min         -0.599
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         2627
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.110
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0310
_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)+(0.0102P)²+12.4762P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0612
_reflns_number_gt                2432
_reflns_number_total             2627
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om9006455_si_002.cif
_cod_data_source_block           3b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4070196
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.5000 0.05908(2) 0.7500 0.02723(10) Uani 1 2 d S . .
Cl1 Cl 0.5000 0.25682(13) 0.7500 0.0464(5) Uani 1 2 d S . .
C1 C 0.5715(6) 0.0716(7) 0.8918(8) 0.031(2) Uani 0.50 1 d P . .
O1 O 0.6142(5) 0.0817(5) 0.9739(5) 0.0372(17) Uani 0.50 1 d P . .
B1 B 0.5000 -0.0992(6) 0.7500 0.0230(16) Uani 1 2 d S . .
N1 N 0.5588(2) -0.1660(3) 0.7334(3) 0.0233(8) Uani 1 1 d . . .
C2 C 0.5353(3) -0.2707(3) 0.7385(3) 0.0261(11) Uani 1 1 d . . .
C3 C 0.5690(3) -0.3640(4) 0.7255(4) 0.0367(13) Uani 1 1 d . . .
H1 H 0.6149 -0.3643 0.7079 0.044 Uiso 1 1 calc R . .
C4 C 0.5345(3) -0.4582(4) 0.7389(4) 0.0472(16) Uani 1 1 d . . .
H2 H 0.5587 -0.5233 0.7326 0.057 Uiso 1 1 calc R . .
C5 C 0.6215(3) -0.1223(4) 0.7073(4) 0.0379(13) Uani 1 1 d . A .
H3 H 0.6008 -0.1341 0.6384 0.046 Uiso 1 1 calc R . .
H4 H 0.6819 -0.1545 0.7456 0.046 Uiso 1 1 calc R . .
P1 P 0.62531(9) 0.02265(10) 0.73400(9) 0.0286(3) Uani 1 1 d . . .
C6 C 0.7331(3) 0.0487(4) 0.8407(3) 0.0275(11) Uani 1 1 d . A .
C7 C 0.7454(3) 0.1480(4) 0.8802(4) 0.0501(16) Uani 1 1 d . . .
H5 H 0.6991 0.1991 0.8497 0.060 Uiso 1 1 calc R A .
C8 C 0.8232(4) 0.1749(5) 0.9626(4) 0.0551(17) Uani 1 1 d . A .
H6 H 0.8303 0.2440 0.9880 0.066 Uiso 1 1 calc R . .
C9 C 0.8901(4) 0.1025(5) 1.0078(4) 0.0421(14) Uani 1 1 d . . .
H7 H 0.9434 0.1205 1.0654 0.050 Uiso 1 1 calc R A .
C10 C 0.8799(4) 0.0036(5) 0.9696(4) 0.0579(18) Uani 1 1 d . A .
H8 H 0.9266 -0.0469 1.0006 0.070 Uiso 1 1 calc R . .
C11 C 0.8019(4) -0.0236(4) 0.8858(4) 0.0500(16) Uani 1 1 d . . .
H9 H 0.7959 -0.0922 0.8596 0.060 Uiso 1 1 calc R A .
C12 C 0.6264(10) 0.0994(14) 0.6357(11) 0.023(3) Uani 0.49(2) 1 d PU A 1
C13 C 0.5582(12) 0.1640(13) 0.5748(12) 0.027(3) Uani 0.49(2) 1 d P A 1
H10 H 0.5062 0.1733 0.5818 0.032 Uiso 0.49(2) 1 calc PR A 1
C14 C 0.5655(12) 0.2164(12) 0.5019(11) 0.031(4) Uani 0.49(2) 1 d P A 1
H11 H 0.5186 0.2620 0.4596 0.037 Uiso 0.49(2) 1 calc PR A 1
C15 C 0.6409(14) 0.2022(19) 0.4908(14) 0.038(5) Uani 0.49(2) 1 d P A 1
H12 H 0.6441 0.2363 0.4396 0.045 Uiso 0.49(2) 1 calc PR A 1
C16 C 0.7107(10) 0.1395(18) 0.5531(12) 0.042(4) Uani 0.49(2) 1 d P A 1
H13 H 0.7629 0.1317 0.5462 0.051 Uiso 0.49(2) 1 calc PR A 1
C17 C 0.7048(9) 0.0869(15) 0.6272(9) 0.030(3) Uani 0.49(2) 1 d P A 1
H14 H 0.7529 0.0435 0.6711 0.036 Uiso 0.49(2) 1 calc PR A 1
C18 C 0.6492(10) 0.0716(12) 0.6422(10) 0.024(3) Uani 0.51(2) 1 d PU A 2
C19 C 0.6014(13) 0.1616(13) 0.5923(12) 0.031(4) Uani 0.51(2) 1 d P A 2
H15 H 0.5620 0.1957 0.6101 0.037 Uiso 0.51(2) 1 calc PR A 2
C20 C 0.6116(14) 0.2013(12) 0.5162(14) 0.035(5) Uani 0.51(2) 1 d P A 2
H16 H 0.5779 0.2609 0.4810 0.041 Uiso 0.51(2) 1 calc PR A 2
C21 C 0.6708(13) 0.1532(16) 0.4933(13) 0.040(4) Uani 0.51(2) 1 d P A 2
H17 H 0.6785 0.1803 0.4423 0.047 Uiso 0.51(2) 1 calc PR A 2
C22 C 0.7193(9) 0.0661(19) 0.5432(9) 0.050(4) Uani 0.51(2) 1 d P A 2
H18 H 0.7602 0.0337 0.5266 0.060 Uiso 0.51(2) 1 calc PR A 2
C23 C 0.7087(8) 0.0254(17) 0.6178(9) 0.035(4) Uani 0.51(2) 1 d P A 2
H19 H 0.7425 -0.0345 0.6521 0.042 Uiso 0.51(2) 1 calc PR A 2
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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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'
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
C1 Ir1 C1 170.8(5) . 2_656
C1 Ir1 B1 94.6(3) . .
C1 Ir1 B1 94.6(3) 2_656 .
C1 Ir1 P1 93.4(3) . .
C1 Ir1 P1 88.4(3) 2_656 .
B1 Ir1 P1 78.46(3) . .
C1 Ir1 P1 88.4(3) . 2_656
C1 Ir1 P1 93.4(3) 2_656 2_656
B1 Ir1 P1 78.46(3) . 2_656
P1 Ir1 P1 156.92(7) . 2_656
C1 Ir1 Cl1 85.4(3) . .
C1 Ir1 Cl1 85.4(3) 2_656 .
B1 Ir1 Cl1 180.000(1) . .
P1 Ir1 Cl1 101.54(3) . .
P1 Ir1 Cl1 101.54(3) 2_656 .
O1 C1 Ir1 177.9(8) . .
N1 B1 N1 107.3(6) 2_656 .
N1 B1 Ir1 126.4(3) 2_656 .
N1 B1 Ir1 126.4(3) . .
C2 N1 B1 107.9(4) . .
C2 N1 C5 131.1(4) . .
B1 N1 C5 120.7(4) . .
C3 C2 N1 131.1(4) . .
C3 C2 C2 120.5(3) . 2_656
N1 C2 C2 108.5(2) . 2_656
C2 C3 C4 118.6(5) . .
C2 C3 H1 120.7 . .
C4 C3 H1 120.7 . .
C4 C4 C3 120.9(3) 2_656 .
C4 C4 H2 119.6 2_656 .
C3 C4 H2 119.6 . .
N1 C5 P1 105.1(3) . .
N1 C5 H3 110.7 . .
P1 C5 H3 110.7 . .
N1 C5 H4 110.7 . .
P1 C5 H4 110.7 . .
H3 C5 H4 108.8 . .
C18 P1 C6 100.0(5) . .
C6 P1 C12 105.9(5) . .
C18 P1 C5 98.5(5) . .
C6 P1 C5 107.3(2) . .
C12 P1 C5 109.6(5) . .
C18 P1 Ir1 127.1(5) . .
C6 P1 Ir1 114.82(16) . .
C12 P1 Ir1 112.3(5) . .
C5 P1 Ir1 106.81(15) . .
C7 C6 C11 118.0(5) . .
C7 C6 P1 116.9(4) . .
C11 C6 P1 125.1(4) . .
C8 C7 C6 121.6(5) . .
C8 C7 H5 119.2 . .
C6 C7 H5 119.2 . .
C9 C8 C7 120.1(5) . .
C9 C8 H6 119.9 . .
C7 C8 H6 119.9 . .
C8 C9 C10 119.4(5) . .
C8 C9 H7 120.3 . .
C10 C9 H7 120.3 . .
C9 C10 C11 120.7(5) . .
C9 C10 H8 119.6 . .
C11 C10 H8 119.6 . .
C6 C11 C10 120.2(5) . .
C6 C11 H9 119.9 . .
C10 C11 H9 119.9 . .
C13 C12 C17 120.8(14) . .
C13 C12 P1 124.2(11) . .
C17 C12 P1 115.0(11) . .
C12 C13 C14 119.3(14) . .
C12 C13 H10 120.4 . .
C14 C13 H10 120.4 . .
C15 C14 C13 120.5(14) . .
C15 C14 H11 119.7 . .
C13 C14 H11 119.7 . .
C16 C15 C14 120.6(16) . .
C16 C15 H12 119.7 . .
C14 C15 H12 119.7 . .
C15 C16 C17 119.6(14) . .
C15 C16 H13 120.2 . .
C17 C16 H13 120.2 . .
C16 C17 C12 119.2(13) . .
C16 C17 H14 120.4 . .
C12 C17 H14 120.4 . .
C23 C18 C19 119.2(14) . .
C23 C18 P1 124.6(10) . .
C19 C18 P1 116.2(11) . .
C20 C19 C18 120.1(14) . .
C20 C19 H15 119.9 . .
C18 C19 H15 119.9 . .
C21 C20 C19 119.2(14) . .
C21 C20 H16 120.4 . .
C19 C20 H16 120.4 . .
C20 C21 C22 120.9(15) . .
C20 C21 H17 119.5 . .
C22 C21 H17 119.5 . .
C21 C22 C23 120.2(14) . .
C21 C22 H18 119.9 . .
C23 C22 H18 119.9 . .
C18 C23 C22 120.3(13) . .
C18 C23 H19 119.9 . .
C22 C23 H19 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ir1 C1 1.985(11) .
Ir1 C1 1.985(11) 2_656
Ir1 B1 2.010(8) .
Ir1 P1 2.313(2) .
Ir1 P1 2.313(2) 2_656
Ir1 Cl1 2.511(2) .
C1 O1 1.155(11) .
B1 N1 1.431(6) 2_656
B1 N1 1.431(6) .
N1 C2 1.402(6) .
N1 C5 1.433(6) .
C2 C3 1.376(6) .
C2 C2 1.416(9) 2_656
C3 C4 1.394(7) .
C3 H1 0.9500 .
C4 C4 1.381(11) 2_656
C4 H2 0.9500 .
C5 P1 1.883(5) .
C5 H3 0.9900 .
C5 H4 0.9900 .
P1 C18 1.813(16) .
P1 C6 1.822(5) .
P1 C12 1.855(17) .
C6 C7 1.379(7) .
C6 C11 1.381(7) .
C7 C8 1.378(7) .
C7 H5 0.9500 .
C8 C9 1.362(8) .
C8 H6 0.9500 .
C9 C10 1.370(8) .
C9 H7 0.9500 .
C10 C11 1.390(7) .
C10 H8 0.9500 .
C11 H9 0.9500 .
C12 C13 1.37(2) .
C12 C17 1.412(19) .
C13 C14 1.40(2) .
C13 H10 0.9500 .
C14 C15 1.39(2) .
C14 H11 0.9500 .
C15 C16 1.37(3) .
C15 H12 0.9500 .
C16 C17 1.41(2) .
C16 H13 0.9500 .
C17 H14 0.9500 .
C18 C23 1.380(18) .
C18 C19 1.40(2) .
C19 C20 1.40(2) .
C19 H15 0.9500 .
C20 C21 1.37(2) .
C20 H16 0.9500 .
C21 C22 1.38(2) .
C21 H17 0.9500 .
C22 C23 1.388(17) .
C22 H18 0.9500 .
C23 H19 0.9500 .
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
C1 Ir1 B1 N1 81.5(3) . 2_656
C1 Ir1 B1 N1 -98.5(3) 2_656 2_656
P1 Ir1 B1 N1 174.08(18) . 2_656
P1 Ir1 B1 N1 -5.92(18) 2_656 2_656
C1 Ir1 B1 N1 -98.5(3) . .
C1 Ir1 B1 N1 81.5(3) 2_656 .
P1 Ir1 B1 N1 -5.92(18) . .
P1 Ir1 B1 N1 174.08(18) 2_656 .
N1 B1 N1 C2 0.8(2) 2_656 .
Ir1 B1 N1 C2 -179.2(2) . .
N1 B1 N1 C5 175.3(4) 2_656 .
Ir1 B1 N1 C5 -4.7(4) . .
B1 N1 C2 C3 178.1(4) . .
C5 N1 C2 C3 4.4(8) . .
B1 N1 C2 C2 -2.1(6) . 2_656
C5 N1 C2 C2 -175.8(5) . 2_656
N1 C2 C3 C4 177.5(5) . .
C2 C2 C3 C4 -2.2(8) 2_656 .
C2 C3 C4 C4 2.4(10) . 2_656
C2 N1 C5 P1 -172.8(4) . .
B1 N1 C5 P1 14.2(5) . .
N1 C5 P1 C18 -149.5(6) . .
N1 C5 P1 C6 107.2(3) . .
N1 C5 P1 C12 -138.3(6) . .
N1 C5 P1 Ir1 -16.4(4) . .
C1 Ir1 P1 C18 -139.6(6) . .
C1 Ir1 P1 C18 31.4(6) 2_656 .
B1 Ir1 P1 C18 126.4(5) . .
P1 Ir1 P1 C18 126.4(5) 2_656 .
Cl1 Ir1 P1 C18 -53.6(5) . .
C1 Ir1 P1 C6 -13.4(3) . .
C1 Ir1 P1 C6 157.6(3) 2_656 .
B1 Ir1 P1 C6 -107.39(18) . .
P1 Ir1 P1 C6 -107.39(18) 2_656 .
Cl1 Ir1 P1 C6 72.61(18) . .
C1 Ir1 P1 C12 -134.5(5) . .
C1 Ir1 P1 C12 36.5(5) 2_656 .
B1 Ir1 P1 C12 131.5(5) . .
P1 Ir1 P1 C12 131.5(5) 2_656 .
Cl1 Ir1 P1 C12 -48.5(5) . .
C1 Ir1 P1 C5 105.4(3) . .
C1 Ir1 P1 C5 -83.6(3) 2_656 .
B1 Ir1 P1 C5 11.37(18) . .
P1 Ir1 P1 C5 11.37(18) 2_656 .
Cl1 Ir1 P1 C5 -168.63(18) . .
C18 P1 C6 C7 85.7(7) . .
C12 P1 C6 C7 71.0(7) . .
C5 P1 C6 C7 -172.1(4) . .
Ir1 P1 C6 C7 -53.5(5) . .
C18 P1 C6 C11 -95.9(7) . .
C12 P1 C6 C11 -110.6(7) . .
C5 P1 C6 C11 6.4(5) . .
Ir1 P1 C6 C11 124.9(4) . .
C11 C6 C7 C8 -0.7(9) . .
P1 C6 C7 C8 177.8(5) . .
C6 C7 C8 C9 -0.6(10) . .
C7 C8 C9 C10 1.2(10) . .
C8 C9 C10 C11 -0.5(10) . .
C7 C6 C11 C10 1.3(9) . .
P1 C6 C11 C10 -177.1(5) . .
C9 C10 C11 C6 -0.8(10) . .
C18 P1 C12 C13 160(4) . .
C6 P1 C12 C13 -130.8(13) . .
C5 P1 C12 C13 113.8(14) . .
Ir1 P1 C12 C13 -4.7(15) . .
C18 P1 C12 C17 -20(2) . .
C6 P1 C12 C17 49.1(11) . .
C5 P1 C12 C17 -66.3(11) . .
Ir1 P1 C12 C17 175.2(9) . .
C17 C12 C13 C14 1(2) . .
P1 C12 C13 C14 -178.7(11) . .
C12 C13 C14 C15 1(2) . .
C13 C14 C15 C16 -2(3) . .
C14 C15 C16 C17 2(3) . .
C15 C16 C17 C12 0(2) . .
C13 C12 C17 C16 -2(2) . .
P1 C12 C17 C16 178.2(10) . .
C6 P1 C18 C23 68.4(13) . .
C12 P1 C18 C23 -178(4) . .
C5 P1 C18 C23 -40.9(14) . .
Ir1 P1 C18 C23 -159.6(12) . .
C6 P1 C18 C19 -113.0(10) . .
C12 P1 C18 C19 1(2) . .
C5 P1 C18 C19 137.7(11) . .
Ir1 P1 C18 C19 19.0(13) . .
C23 C18 C19 C20 2(2) . .
P1 C18 C19 C20 -176.2(11) . .
C18 C19 C20 C21 -2(2) . .
C19 C20 C21 C22 1(2) . .
C20 C21 C22 C23 0(2) . .
C19 C18 C23 C22 -2(2) . .
P1 C18 C23 C22 177.0(10) . .
C21 C22 C23 C18 0(2) . .
