#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/43/2224373.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2224373
loop_
_publ_author_name
'Wu, Fang-Hui'
'Lu, Lude'
'Duan, Taike'
'Zhang, Qian-Feng'
_publ_section_title
;
 Bis(η²-ethylene)[azanidediylbis(diisopropylphosphine
 selenide)-κ²Se,Se']iridium(III)
;
_journal_coeditor_code           NG2681
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1696
_journal_paper_doi               10.1107/S1600536809050156
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ir (C2 H4)2 (C12 H28 N P2 Se2)]'
_chemical_formula_moiety         'C16 H36 Ir N P2 Se2'
_chemical_formula_sum            'C16 H36 Ir N P2 Se2'
_chemical_formula_weight         654.52
_chemical_name_systematic
;
Bis(η²-ethylene)[azanidediylbis(diisopropylphosphine selenide)-
κ²Se,Se']iridium(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.5110(10)
_cell_angle_beta                 96.0550(10)
_cell_angle_gamma                107.2730(10)
_cell_formula_units_Z            2
_cell_length_a                   9.69650(10)
_cell_length_b                   10.39620(10)
_cell_length_c                   12.06200(10)
_cell_measurement_reflns_used    6523
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.79
_cell_measurement_theta_min      2.45
_cell_volume                     1133.84(2)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15331
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    9.237
_exptl_absorpt_correction_T_max  0.3196
_exptl_absorpt_correction_T_min  0.1681
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.391
_refine_diff_density_min         -1.033
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     207
_refine_ls_number_reflns         5170
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0281
_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)+(0.0339P)²+0.9430P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                4505
_reflns_number_total             5170
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ng2681.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2224373
_cod_database_fobs_code          2224373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir Ir1 0.183001(17) 0.291467(16) 0.217100(14) 0.03765(6) Uani d . 1 . .
Se Se1 0.07448(5) 0.45184(4) 0.31713(4) 0.04549(12) Uani d . 1 . .
Se Se2 0.39296(5) 0.45760(5) 0.16421(5) 0.04878(12) Uani d . 1 . .
P P1 0.24433(11) 0.65130(11) 0.37985(9) 0.0347(2) Uani d . 1 . .
P P2 0.35610(11) 0.65739(11) 0.16970(9) 0.0356(2) Uani d . 1 . .
N N1 0.3238(4) 0.7270(3) 0.2873(3) 0.0398(8) Uani d . 1 . .
C C1 0.3029(7) 0.1529(6) 0.1735(6) 0.0703(16) Uani d . 1 . .
H H1A 0.3089 0.2106 0.2419 0.084 Uiso calc R 1 . .
H H1B 0.3632 0.0982 0.1679 0.084 Uiso calc R 1 . .
C C2 0.2036(7) 0.1485(6) 0.0795(5) 0.0737(18) Uani d . 1 . .
H H2A 0.1433 0.2033 0.0852 0.088 Uiso calc R 1 . .
H H2B 0.1976 0.0909 0.0112 0.088 Uiso calc R 1 . .
C C3 0.0789(7) 0.1508(6) 0.3164(6) 0.0790(19) Uani d . 1 . .
H H3A 0.1740 0.2104 0.3255 0.095 Uiso calc R 1 . .
H H3B 0.0517 0.0953 0.3694 0.095 Uiso calc R 1 . .
C C4 -0.0233(6) 0.1446(6) 0.2229(6) 0.0764(19) Uani d . 1 . .
H H4A 0.0039 0.2000 0.1699 0.092 Uiso calc R 1 . .
H H4B -0.1184 0.0850 0.2138 0.092 Uiso calc R 1 . .
C C11 0.1481(5) 0.7590(5) 0.4494(4) 0.0475(11) Uani d . 1 . .
H H11A 0.1057 0.7149 0.5098 0.057 Uiso calc R 1 . .
C C12 0.0227(6) 0.7685(6) 0.3672(5) 0.0652(15) Uani d . 1 . .
H H12A -0.0331 0.8161 0.4079 0.098 Uiso calc R 1 . .
H H12B -0.0393 0.6778 0.3319 0.098 Uiso calc R 1 . .
H H12C 0.0613 0.8175 0.3100 0.098 Uiso calc R 1 . .
C C13 0.2494(7) 0.9012(6) 0.5043(6) 0.086(2) Uani d . 1 . .
H H13A 0.3119 0.9376 0.4521 0.129 Uiso calc R 1 . .
H H13B 0.3080 0.8959 0.5717 0.129 Uiso calc R 1 . .
H H13C 0.1924 0.9601 0.5237 0.129 Uiso calc R 1 . .
C C14 0.3761(5) 0.6209(5) 0.4850(4) 0.0490(11) Uani d . 1 . .
H H14A 0.4022 0.5431 0.4475 0.059 Uiso calc R 1 . .
C C15 0.5195(6) 0.7394(7) 0.5211(6) 0.080(2) Uani d . 1 . .
H H15A 0.5045 0.8113 0.5733 0.121 Uiso calc R 1 . .
H H15B 0.5513 0.7739 0.4554 0.121 Uiso calc R 1 . .
H H15C 0.5927 0.7074 0.5571 0.121 Uiso calc R 1 . .
C C16 0.3095(7) 0.5757(8) 0.5874(5) 0.084(2) Uani d . 1 . .
H H16A 0.3764 0.5451 0.6329 0.126 Uiso calc R 1 . .
H H16B 0.2194 0.5020 0.5619 0.126 Uiso calc R 1 . .
H H16C 0.2909 0.6515 0.6319 0.126 Uiso calc R 1 . .
C C21 0.5261(5) 0.7694(5) 0.1388(4) 0.0465(11) Uani d . 1 . .
H H21A 0.5384 0.7316 0.0624 0.056 Uiso calc R 1 . .
C C22 0.6584(5) 0.7730(6) 0.2205(5) 0.0679(16) Uani d . 1 . .
H H22A 0.7462 0.8198 0.1941 0.102 Uiso calc R 1 . .
H H22B 0.6563 0.6809 0.2245 0.102 Uiso calc R 1 . .
H H22C 0.6560 0.8204 0.2946 0.102 Uiso calc R 1 . .
C C23 0.5204(7) 0.9147(6) 0.1376(7) 0.085(2) Uani d . 1 . .
H H23A 0.4863 0.9469 0.2049 0.128 Uiso calc R 1 . .
H H23B 0.4548 0.9139 0.0719 0.128 Uiso calc R 1 . .
H H23C 0.6164 0.9746 0.1354 0.128 Uiso calc R 1 . .
C C24 0.2058(5) 0.6298(5) 0.0541(4) 0.0510(12) Uani d . 1 . .
H H24A 0.1274 0.5496 0.0641 0.061 Uiso calc R 1 . .
C C25 0.1402(7) 0.7457(7) 0.0570(6) 0.0793(18) Uani d . 1 . .
H H25A 0.2084 0.8238 0.0375 0.119 Uiso calc R 1 . .
H H25B 0.1196 0.7703 0.1319 0.119 Uiso calc R 1 . .
H H25C 0.0513 0.7164 0.0035 0.119 Uiso calc R 1 . .
C C26 0.2453(7) 0.5916(9) -0.0620(5) 0.092(2) Uani d . 1 . .
H H26A 0.1588 0.5617 -0.1182 0.138 Uiso calc R 1 . .
H H26B 0.2874 0.5190 -0.0616 0.138 Uiso calc R 1 . .
H H26C 0.3148 0.6702 -0.0798 0.138 Uiso calc R 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'
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'
Se Se -0.0929 2.2259 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C3 Ir1 C2 . . 98.6(3) ?
C3 Ir1 C4 . . 38.4(2) ?
C2 Ir1 C4 . . 86.8(2) ?
C3 Ir1 C1 . . 86.0(2) ?
C2 Ir1 C1 . . 38.1(2) ?
C4 Ir1 C1 . . 98.9(2) ?
C3 Ir1 Se2 . . 154.8(2) ?
C2 Ir1 Se2 . . 86.18(16) ?
C4 Ir1 Se2 . . 166.4(2) ?
C1 Ir1 Se2 . . 82.61(16) ?
C3 Ir1 Se1 . . 86.27(17) ?
C2 Ir1 Se1 . . 156.23(19) ?
C4 Ir1 Se1 . . 82.66(17) ?
C1 Ir1 Se1 . . 165.18(18) ?
Se2 Ir1 Se1 . . 99.332(16) ?
P1 Se1 Ir1 . . 109.29(3) ?
P2 Se2 Ir1 . . 110.38(3) ?
N1 P1 C11 . . 108.1(2) ?
N1 P1 C14 . . 111.3(2) ?
C11 P1 C14 . . 110.2(2) ?
N1 P1 Se1 . . 116.89(14) ?
C11 P1 Se1 . . 104.32(16) ?
C14 P1 Se1 . . 105.85(17) ?
N1 P2 C21 . . 108.2(2) ?
N1 P2 C24 . . 111.2(2) ?
C21 P2 C24 . . 110.3(2) ?
N1 P2 Se2 . . 116.88(13) ?
C21 P2 Se2 . . 104.26(16) ?
C24 P2 Se2 . . 105.67(17) ?
P1 N1 P2 . . 127.3(2) ?
C2 C1 Ir1 . . 70.2(3) ?
C2 C1 H1A . . 120.0 ?
Ir1 C1 H1A . . 49.8 ?
C2 C1 H1B . . 120.0 ?
Ir1 C1 H1B . . 169.8 ?
H1A C1 H1B . . 120.0 ?
C1 C2 Ir1 . . 71.7(3) ?
C1 C2 H2A . . 120.0 ?
Ir1 C2 H2A . . 48.3 ?
C1 C2 H2B . . 120.0 ?
Ir1 C2 H2B . . 168.3 ?
H2A C2 H2B . . 120.0 ?
C4 C3 Ir1 . . 71.7(3) ?
C4 C3 H3A . . 120.0 ?
Ir1 C3 H3A . . 48.3 ?
C4 C3 H3B . . 120.0 ?
Ir1 C3 H3B . . 168.3 ?
H3A C3 H3B . . 120.0 ?
C3 C4 Ir1 . . 69.9(3) ?
C3 C4 H4A . . 120.0 ?
Ir1 C4 H4A . . 50.1 ?
C3 C4 H4B . . 120.0 ?
Ir1 C4 H4B . . 170.1 ?
H4A C4 H4B . . 120.0 ?
C13 C11 C12 . . 110.4(5) ?
C13 C11 P1 . . 112.6(4) ?
C12 C11 P1 . . 111.3(3) ?
C13 C11 H11A . . 107.5 ?
C12 C11 H11A . . 107.5 ?
P1 C11 H11A . . 107.5 ?
C11 C12 H12A . . 109.5 ?
C11 C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C11 C12 H12C . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
C11 C13 H13A . . 109.5 ?
C11 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C11 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C16 C14 C15 . . 111.5(5) ?
C16 C14 P1 . . 112.6(4) ?
C15 C14 P1 . . 114.1(4) ?
C16 C14 H14A . . 105.9 ?
C15 C14 H14A . . 105.9 ?
P1 C14 H14A . . 105.9 ?
C14 C15 H15A . . 109.5 ?
C14 C15 H15B . . 109.5 ?
H15A C15 H15B . . 109.5 ?
C14 C15 H15C . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C14 C16 H16A . . 109.5 ?
C14 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C14 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C22 C21 C23 . . 110.5(5) ?
C22 C21 P2 . . 112.0(3) ?
C23 C21 P2 . . 111.8(3) ?
C22 C21 H21A . . 107.4 ?
C23 C21 H21A . . 107.4 ?
P2 C21 H21A . . 107.4 ?
C21 C22 H22A . . 109.5 ?
C21 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
C21 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
C21 C23 H23A . . 109.5 ?
C21 C23 H23B . . 109.5 ?
H23A C23 H23B . . 109.5 ?
C21 C23 H23C . . 109.5 ?
H23A C23 H23C . . 109.5 ?
H23B C23 H23C . . 109.5 ?
C26 C24 C25 . . 111.0(5) ?
C26 C24 P2 . . 112.6(4) ?
C25 C24 P2 . . 114.7(4) ?
C26 C24 H24A . . 105.9 ?
C25 C24 H24A . . 105.9 ?
P2 C24 H24A . . 105.9 ?
C24 C25 H25A . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
C24 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C24 C26 H26A . . 109.5 ?
C24 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C24 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ir1 C3 . 2.119(5) ?
Ir1 C2 . 2.125(5) ?
Ir1 C4 . 2.141(5) ?
Ir1 C1 . 2.145(5) ?
Ir1 Se2 . 2.4590(5) ?
Ir1 Se1 . 2.4611(5) ?
Se1 P1 . 2.1975(11) ?
Se2 P2 . 2.2026(12) ?
P1 N1 . 1.595(3) ?
P1 C11 . 1.826(5) ?
P1 C14 . 1.832(5) ?
P2 N1 . 1.599(4) ?
P2 C21 . 1.825(4) ?
P2 C24 . 1.832(5) ?
C1 C2 . 1.394(9) ?
C1 H1A . 0.9300 ?
C1 H1B . 0.9300 ?
C2 H2A . 0.9300 ?
C2 H2B . 0.9300 ?
C3 C4 . 1.401(9) ?
C3 H3A . 0.9300 ?
C3 H3B . 0.9300 ?
C4 H4A . 0.9300 ?
C4 H4B . 0.9300 ?
C11 C13 . 1.517(7) ?
C11 C12 . 1.522(7) ?
C11 H11A . 0.9800 ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
C14 C16 . 1.524(7) ?
C14 C15 . 1.529(7) ?
C14 H14A . 0.9800 ?
C15 H15A . 0.9600 ?
C15 H15B . 0.9600 ?
C15 H15C . 0.9600 ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
C21 C22 . 1.521(7) ?
C21 C23 . 1.530(7) ?
C21 H21A . 0.9800 ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
C23 H23A . 0.9600 ?
C23 H23B . 0.9600 ?
C23 H23C . 0.9600 ?
C24 C26 . 1.518(7) ?
C24 C25 . 1.519(8) ?
C24 H24A . 0.9800 ?
C25 H25A . 0.9600 ?
C25 H25B . 0.9600 ?
C25 H25C . 0.9600 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C3 Ir1 Se1 P1 . . . . 131.1(2) ?
C2 Ir1 Se1 P1 . . . . -126.0(4) ?
C4 Ir1 Se1 P1 . . . . 169.5(2) ?
C1 Ir1 Se1 P1 . . . . 72.3(6) ?
Se2 Ir1 Se1 P1 . . . . -24.11(4) ?
C3 Ir1 Se2 P2 . . . . -121.0(4) ?
C2 Ir1 Se2 P2 . . . . 136.9(2) ?
C4 Ir1 Se2 P2 . . . . 77.5(7) ?
C1 Ir1 Se2 P2 . . . . 175.02(19) ?
Se1 Ir1 Se2 P2 . . . . -19.84(4) ?
Ir1 Se1 P1 N1 . . . . 59.94(15) ?
Ir1 Se1 P1 C11 . . . . 179.16(16) ?
Ir1 Se1 P1 C14 . . . . -64.58(17) ?
Ir1 Se2 P2 N1 . . . . 56.66(15) ?
Ir1 Se2 P2 C21 . . . . 175.99(16) ?
Ir1 Se2 P2 C24 . . . . -67.67(17) ?
C11 P1 N1 P2 . . . . -148.8(3) ?
C14 P1 N1 P2 . . . . 90.1(3) ?
Se1 P1 N1 P2 . . . . -31.6(3) ?
C21 P2 N1 P1 . . . . -147.9(3) ?
C24 P2 N1 P1 . . . . 90.8(3) ?
Se2 P2 N1 P1 . . . . -30.7(3) ?
C3 Ir1 C1 C2 . . . . 109.3(4) ?
C4 Ir1 C1 C2 . . . . 73.1(4) ?
Se2 Ir1 C1 C2 . . . . -93.2(3) ?
Se1 Ir1 C1 C2 . . . . 168.2(5) ?
C3 Ir1 C2 C1 . . . . -72.2(4) ?
C4 Ir1 C2 C1 . . . . -108.8(4) ?
Se2 Ir1 C2 C1 . . . . 82.9(3) ?
Se1 Ir1 C2 C1 . . . . -172.5(3) ?
C2 Ir1 C3 C4 . . . . -73.7(4) ?
C1 Ir1 C3 C4 . . . . -109.8(4) ?
Se2 Ir1 C3 C4 . . . . -173.1(3) ?
Se1 Ir1 C3 C4 . . . . 82.9(4) ?
C2 Ir1 C4 C3 . . . . 108.1(4) ?
C1 Ir1 C4 C3 . . . . 71.8(4) ?
Se2 Ir1 C4 C3 . . . . 167.4(6) ?
Se1 Ir1 C4 C3 . . . . -93.3(4) ?
N1 P1 C11 C13 . . . . -57.8(5) ?
C14 P1 C11 C13 . . . . 63.9(5) ?
Se1 P1 C11 C13 . . . . 177.1(4) ?
N1 P1 C11 C12 . . . . 66.7(4) ?
C14 P1 C11 C12 . . . . -171.6(3) ?
Se1 P1 C11 C12 . . . . -58.3(4) ?
N1 P1 C14 C16 . . . . 168.3(4) ?
C11 P1 C14 C16 . . . . 48.5(5) ?
Se1 P1 C14 C16 . . . . -63.7(5) ?
N1 P1 C14 C15 . . . . 39.8(5) ?
C11 P1 C14 C15 . . . . -80.0(5) ?
Se1 P1 C14 C15 . . . . 167.8(4) ?
N1 P2 C21 C22 . . . . 69.1(4) ?
C24 P2 C21 C22 . . . . -169.0(4) ?
Se2 P2 C21 C22 . . . . -55.9(4) ?
N1 P2 C21 C23 . . . . -55.5(5) ?
C24 P2 C21 C23 . . . . 66.4(5) ?
Se2 P2 C21 C23 . . . . 179.4(4) ?
N1 P2 C24 C26 . . . . 168.1(5) ?
C21 P2 C24 C26 . . . . 48.1(5) ?
Se2 P2 C24 C26 . . . . -64.1(5) ?
N1 P2 C24 C25 . . . . 39.9(5) ?
C21 P2 C24 C25 . . . . -80.2(5) ?
Se2 P2 C24 C25 . . . . 167.7(4) ?
