#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/48/4114835.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_4114835
loop_
_publ_author_name
'Yoshiaki Tanabe'
'Shigeki Kuwata'
'Youichi Ishii'
_publ_contact_author_address
;
    Department of Chemistry and Biotechnology
    Graduate School of Engineering, The University of Tokyo
    Honogo 7-3-1, Bunkyo-ku, Tokyo 113-8656 Japan
;
_publ_contact_author_email       'ishii@chembio.t.u-tokyo.ac.jp '
_publ_contact_author_fax         +81-03-5841-7265
_publ_contact_author_name        'Prof. Youichi Ishii'
_publ_contact_author_phone       +81-03-5841-7264
_publ_section_title
;
 Syntheses and Skeletal Transformations of NCNH- and NCN-Bridged
 Tetrairidium(III) Cages
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6528
_journal_page_last               6529
_journal_paper_doi               10.1021/ja017436e
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C47.5 H64 Ir4 N8'
_chemical_formula_weight         1515.96
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Mon Oct 22 132546 2001'
_audit_creation_method           'by teXsan'
_audit_update_record             'Wed Oct 31 180000 2001'
_cell_angle_alpha                110.448(2)
_cell_angle_beta                 91.827(4)
_cell_angle_gamma                115.614(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8609(6)
_cell_length_b                   13.632(1)
_cell_length_c                   17.707(1)
_cell_measurement_reflns_used    15127
_cell_measurement_temperature    123.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.9
_cell_volume                     2361.6(3)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measured_fraction_theta_full 0.9906
_diffrn_measured_fraction_theta_max 0.9906
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            22730
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    11.307
_exptl_absorpt_correction_T_max  1.443
_exptl_absorpt_correction_T_min  0.431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.132
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.54
_refine_diff_density_min         -1.92
_refine_ls_extinction_coef       0.00017(9)
_refine_ls_extinction_method
;
    'Zachariasen(1967) type 2 gaussian isotropic'
;
_refine_ls_goodness_of_fit_ref   1.798
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     526
_refine_ls_number_reflns         9169
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.0008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00031|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0385
_reflns_number_gt                9169
_reflns_number_total             10701
_reflns_threshold_expression     F²>3.0σ(F²)
_cod_data_source_file            ja017436e_2.cif
_cod_data_source_block           '[Cp*Ir(NCN)3(IrCp*)3(NCN)]'
_cod_original_formula_sum        'C47.50 H64 Ir4 N8 '
_cod_database_code               4114835
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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_refinement_flags
Ir(1) Ir 0.63477(2) 0.78282(2) 0.32875(1) 0.01508(6) Uani 1.00 d .
Ir(2) Ir 0.18675(2) 0.47780(2) 0.15177(1) 0.01191(5) Uani 1.00 d .
Ir(3) Ir 0.32186(2) 0.32858(2) 0.19855(1) 0.01126(5) Uani 1.00 d .
Ir(4) Ir 0.20044(2) 0.46892(2) 0.33942(1) 0.01141(5) Uani 1.00 d .
N(1) N 0.5637(5) 0.6490(4) 0.2078(3) 0.018(1) Uani 1.00 d .
N(2) N 0.3567(4) 0.4659(4) 0.1600(3) 0.014(1) Uani 1.00 d .
N(3) N 0.4508(5) 0.7713(5) 0.3294(3) 0.020(1) Uani 1.00 d .
N(4) N 0.2514(4) 0.5834(4) 0.2784(3) 0.014(1) Uani 1.00 d .
N(5) N 0.5743(5) 0.6456(4) 0.3710(3) 0.019(1) Uani 1.00 d .
N(6) N 0.3698(4) 0.4602(4) 0.3185(3) 0.012(1) Uani 1.00 d .
N(7) N 0.1539(4) 0.3529(4) 0.2097(3) 0.011(1) Uani 1.00 d .
N(8) N -0.0612(5) 0.1757(5) 0.1579(3) 0.024(1) Uani 1.00 d .
C(1) C 0.4616(5) 0.5595(5) 0.1864(3) 0.014(1) Uani 1.00 d .
C(2) C 0.3547(5) 0.6776(5) 0.3046(3) 0.013(1) Uani 1.00 d .
C(3) C 0.4742(5) 0.5557(5) 0.3435(3) 0.011(1) Uani 1.00 d .
C(4) C 0.0407(5) 0.2599(5) 0.1827(3) 0.015(1) Uani 1.00 d .
C(5) C 0.8158(7) 0.8883(6) 0.4142(5) 0.040(2) Uani 1.00 d .
C(6) C 0.7451(6) 0.9531(6) 0.4283(4) 0.034(2) Uani 1.00 d .
C(7) C 0.7248(6) 0.9694(5) 0.3536(4) 0.025(2) Uani 1.00 d .
C(8) C 0.7801(6) 0.9136(6) 0.2961(4) 0.030(2) Uani 1.00 d .
C(9) C 0.8365(6) 0.8620(6) 0.3332(5) 0.033(2) Uani 1.00 d .
C(10) C 0.8567(9) 0.8517(9) 0.4757(7) 0.074(3) Uani 1.00 d .
C(11) C 0.706(1) 0.9993(9) 0.5068(7) 0.082(3) Uani 1.00 d .
C(12) C 0.6563(8) 1.0333(7) 0.3400(8) 0.062(3) Uani 1.00 d .
C(13) C 0.7774(9) 0.9089(9) 0.2084(6) 0.061(3) Uani 1.00 d .
C(14) C 0.9109(8) 0.8015(8) 0.2930(8) 0.070(3) Uani 1.00 d .
C(15) C 0.2025(5) 0.5855(5) 0.0849(3) 0.017(1) Uani 1.00 d .
C(16) C 0.1703(5) 0.4656(5) 0.0268(3) 0.018(1) Uani 1.00 d .
C(17) C 0.0492(5) 0.3835(5) 0.0341(4) 0.019(1) Uani 1.00 d .
C(18) C 0.0039(6) 0.4515(6) 0.0965(4) 0.024(2) Uani 1.00 d .
C(19) C 0.0964(5) 0.5742(6) 0.1266(4) 0.020(2) Uani 1.00 d .
C(20) C 0.3213(6) 0.6978(6) 0.0994(4) 0.026(2) Uani 1.00 d .
C(21) C 0.2531(6) 0.4343(6) -0.0293(4) 0.026(2) Uani 1.00 d .
C(22) C -0.0203(6) 0.2519(6) -0.0151(4) 0.026(2) Uani 1.00 d .
C(23) C -0.1216(6) 0.4000(7) 0.1206(4) 0.029(2) Uani 1.00 d .
C(24) C 0.0893(7) 0.6734(7) 0.1916(4) 0.031(2) Uani 1.00 d .
C(25) C 0.3708(6) 0.2091(6) 0.2290(4) 0.023(2) Uani 1.00 d .
C(26) C 0.2522(6) 0.1410(5) 0.1704(4) 0.018(1) Uani 1.00 d .
C(27) C 0.2743(5) 0.1635(5) 0.0962(4) 0.018(1) Uani 1.00 d .
C(28) C 0.4062(5) 0.2431(5) 0.1101(4) 0.019(1) Uani 1.00 d .
C(29) C 0.4677(5) 0.2761(5) 0.1931(4) 0.021(1) Uani 1.00 d .
C(30) C 0.3936(8) 0.2140(7) 0.3146(5) 0.036(2) Uani 1.00 d .
C(31) C 0.1286(6) 0.0553(6) 0.1799(4) 0.027(2) Uani 1.00 d .
C(32) C 0.1766(6) 0.1056(6) 0.0176(4) 0.029(2) Uani 1.00 d .
C(33) C 0.4736(7) 0.2885(7) 0.0507(5) 0.034(2) Uani 1.00 d .
C(34) C 0.6092(7) 0.3570(7) 0.2334(6) 0.043(2) Uani 1.00 d .
C(35) C 0.2245(6) 0.5708(6) 0.4671(4) 0.020(1) Uani 1.00 d .
C(36) C 0.1064(6) 0.5494(6) 0.4228(4) 0.021(2) Uani 1.00 d .
C(37) C 0.0249(5) 0.4265(6) 0.3841(4) 0.018(1) Uani 1.00 d .
C(38) C 0.0891(5) 0.3650(5) 0.4039(3) 0.016(1) Uani 1.00 d .
C(39) C 0.2099(5) 0.4552(5) 0.4570(3) 0.018(1) Uani 1.00 d .
C(40) C 0.3423(6) 0.6881(6) 0.5156(4) 0.029(2) Uani 1.00 d .
C(41) C 0.0779(8) 0.6441(7) 0.4167(5) 0.037(2) Uani 1.00 d .
C(42) C -0.1090(6) 0.3641(7) 0.3339(4) 0.030(2) Uani 1.00 d .
C(43) C 0.0341(6) 0.2348(6) 0.3772(4) 0.025(2) Uani 1.00 d .
C(44) C 0.3109(6) 0.4365(6) 0.4935(4) 0.025(2) Uani 1.00 d .
C(45) C 0.517(1) 0.019(1) 0.1279(8) 0.080(3) Uiso 1.00 d .
C(46) C 0.6176(8) 0.0457(9) 0.0108(6) 0.050(2) Uiso 1.00 d .
C(47) C 0.512(2) 0.012(2) 0.059(1) 0.042(4) Uiso 0.50 d P
C(48) C 0.621(1) 0.052(1) 0.0750(10) 0.036(3) Uiso 0.50 d P
C(49) C 0.613(2) 0.035(2) -0.057(1) 0.041(4) Uiso 0.50 d P
H(1) H 0.7836 0.8034 0.4907 0.0889 Uiso 1.00 calc .
H(2) H 0.9004 0.8081 0.4521 0.0889 Uiso 1.00 calc .
H(3) H 0.9124 0.9204 0.5233 0.0889 Uiso 1.00 calc .
H(4) H 0.7798 1.0520 0.5502 0.0988 Uiso 1.00 calc .
H(5) H 0.6616 1.0407 0.5004 0.0988 Uiso 1.00 calc .
H(6) H 0.6512 0.9348 0.5197 0.0988 Uiso 1.00 calc .
H(7) H 0.6278 1.0624 0.3884 0.0739 Uiso 1.00 calc .
H(8) H 0.7128 1.0981 0.3280 0.0739 Uiso 1.00 calc .
H(9) H 0.5847 0.9803 0.2950 0.0739 Uiso 1.00 calc .
H(10) H 0.6911 0.8677 0.1786 0.0737 Uiso 1.00 calc .
H(11) H 0.8170 0.9875 0.2108 0.0737 Uiso 1.00 calc .
H(12) H 0.8224 0.8685 0.1814 0.0737 Uiso 1.00 calc .
H(13) H 0.9384 0.7747 0.3291 0.0842 Uiso 1.00 calc .
H(14) H 0.8583 0.7355 0.2431 0.0842 Uiso 1.00 calc .
H(15) H 0.9835 0.8558 0.2811 0.0842 Uiso 1.00 calc .
H(16) H 0.3646 0.7344 0.1556 0.0309 Uiso 1.00 calc .
H(17) H 0.3757 0.6801 0.0650 0.0309 Uiso 1.00 calc .
H(18) H 0.2990 0.7502 0.0867 0.0309 Uiso 1.00 calc .
H(19) H 0.2758 0.3824 -0.0163 0.0315 Uiso 1.00 calc .
H(20) H 0.2074 0.3962 -0.0851 0.0315 Uiso 1.00 calc .
H(21) H 0.3286 0.5048 -0.0220 0.0315 Uiso 1.00 calc .
H(22) H -0.0995 0.2305 -0.0471 0.0312 Uiso 1.00 calc .
H(23) H 0.0304 0.2293 -0.0507 0.0312 Uiso 1.00 calc .
H(24) H -0.0359 0.2125 0.0213 0.0312 Uiso 1.00 calc .
H(25) H -0.1299 0.4617 0.1622 0.0347 Uiso 1.00 calc .
H(26) H -0.1895 0.3624 0.0737 0.0347 Uiso 1.00 calc .
H(27) H -0.1252 0.3433 0.1412 0.0347 Uiso 1.00 calc .
H(28) H 0.1593 0.7108 0.2371 0.0368 Uiso 1.00 calc .
H(29) H 0.0931 0.7296 0.1703 0.0368 Uiso 1.00 calc .
H(30) H 0.0111 0.6438 0.2091 0.0368 Uiso 1.00 calc .
H(31) H 0.3717 0.1367 0.3114 0.0434 Uiso 1.00 calc .
H(32) H 0.4813 0.2662 0.3407 0.0434 Uiso 1.00 calc .
H(33) H 0.3421 0.2424 0.3457 0.0434 Uiso 1.00 calc .
H(34) H 0.0637 0.0752 0.1698 0.0324 Uiso 1.00 calc .
H(35) H 0.1056 -0.0229 0.1415 0.0324 Uiso 1.00 calc .
H(36) H 0.1375 0.0589 0.2344 0.0324 Uiso 1.00 calc .
H(37) H 0.1075 0.1223 0.0283 0.0344 Uiso 1.00 calc .
H(38) H 0.2147 0.1356 -0.0213 0.0344 Uiso 1.00 calc .
H(39) H 0.1457 0.0221 -0.0042 0.0344 Uiso 1.00 calc .
H(40) H 0.5407 0.2682 0.0421 0.0413 Uiso 1.00 calc .
H(41) H 0.4147 0.2539 -0.0002 0.0413 Uiso 1.00 calc .
H(42) H 0.5084 0.3725 0.0724 0.0413 Uiso 1.00 calc .
H(43) H 0.6449 0.3126 0.2457 0.0515 Uiso 1.00 calc .
H(44) H 0.6524 0.3892 0.1967 0.0515 Uiso 1.00 calc .
H(45) H 0.6185 0.4198 0.2830 0.0515 Uiso 1.00 calc .
H(46) H 0.3575 0.6989 0.5716 0.0346 Uiso 1.00 calc .
H(47) H 0.4140 0.6885 0.4931 0.0346 Uiso 1.00 calc .
H(48) H 0.3294 0.7509 0.5126 0.0346 Uiso 1.00 calc .
H(49) H 0.1484 0.7202 0.4483 0.0439 Uiso 1.00 calc .
H(50) H 0.0638 0.6334 0.3606 0.0439 Uiso 1.00 calc .
H(51) H 0.0034 0.6386 0.4374 0.0439 Uiso 1.00 calc .
H(52) H -0.1310 0.4209 0.3285 0.0364 Uiso 1.00 calc .
H(53) H -0.1142 0.3104 0.2808 0.0364 Uiso 1.00 calc .
H(54) H -0.1667 0.3214 0.3608 0.0364 Uiso 1.00 calc .
H(55) H -0.0486 0.1961 0.3428 0.0294 Uiso 1.00 calc .
H(56) H 0.0880 0.2085 0.3475 0.0294 Uiso 1.00 calc .
H(57) H 0.0275 0.2161 0.4244 0.0294 Uiso 1.00 calc .
H(58) H 0.2802 0.3540 0.4790 0.0304 Uiso 1.00 calc .
H(59) H 0.3857 0.4668 0.4728 0.0304 Uiso 1.00 calc .
H(60) H 0.3308 0.4770 0.5519 0.0304 Uiso 1.00 calc .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Ir Ir -1.444 7.990
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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
_geom_angle_publ_flag
N(1) Ir(1) N(3) 89.2(2) . . yes
N(1) Ir(1) N(5) 87.2(2) . . yes
N(1) Ir(1) C(5) 135.7(3) . . yes
N(1) Ir(1) C(6) 159.9(2) . . yes
N(1) Ir(1) C(7) 122.6(2) . . yes
N(1) Ir(1) C(8) 95.0(2) . . yes
N(1) Ir(1) C(9) 100.9(2) . . yes
N(3) Ir(1) N(5) 88.0(2) . . yes
N(3) Ir(1) C(5) 135.1(3) . . yes
N(3) Ir(1) C(6) 99.0(3) . . yes
N(3) Ir(1) C(7) 92.6(2) . . yes
N(3) Ir(1) C(8) 120.8(3) . . yes
N(3) Ir(1) C(9) 157.8(2) . . yes
N(5) Ir(1) C(5) 94.0(2) . . yes
N(5) Ir(1) C(6) 111.2(3) . . yes
N(5) Ir(1) C(7) 150.2(2) . . yes
N(5) Ir(1) C(8) 151.1(3) . . yes
N(5) Ir(1) C(9) 112.1(3) . . yes
C(5) Ir(1) C(6) 39.1(3) . . yes
C(5) Ir(1) C(7) 65.1(3) . . yes
C(5) Ir(1) C(8) 64.6(3) . . yes
C(5) Ir(1) C(9) 38.5(3) . . yes
C(6) Ir(1) C(7) 39.4(3) . . yes
C(6) Ir(1) C(8) 65.1(3) . . yes
C(6) Ir(1) C(9) 65.5(3) . . yes
C(7) Ir(1) C(8) 38.2(3) . . yes
C(7) Ir(1) C(9) 65.2(3) . . yes
C(8) Ir(1) C(9) 39.2(3) . . yes
N(2) Ir(2) N(4) 85.5(2) . . yes
N(2) Ir(2) N(7) 75.1(2) . . yes
N(2) Ir(2) C(15) 107.7(2) . . yes
N(2) Ir(2) C(16) 96.7(2) . . yes
N(2) Ir(2) C(17) 120.0(2) . . yes
N(2) Ir(2) C(18) 159.1(2) . . yes
N(2) Ir(2) C(19) 145.2(2) . . yes
N(4) Ir(2) N(7) 75.1(2) . . yes
N(4) Ir(2) C(15) 110.1(2) . . yes
N(4) Ir(2) C(16) 149.0(2) . . yes
N(4) Ir(2) C(17) 154.4(2) . . yes
N(4) Ir(2) C(18) 115.4(2) . . yes
N(4) Ir(2) C(19) 95.3(2) . . yes
N(7) Ir(2) C(15) 174.1(2) . . yes
N(7) Ir(2) C(16) 135.5(2) . . yes
N(7) Ir(2) C(17) 108.1(2) . . yes
N(7) Ir(2) C(18) 109.7(2) . . yes
N(7) Ir(2) C(19) 138.8(2) . . yes
C(15) Ir(2) C(16) 39.8(2) . . yes
C(15) Ir(2) C(17) 65.9(2) . . yes
C(15) Ir(2) C(18) 65.8(2) . . yes
C(15) Ir(2) C(19) 39.6(2) . . yes
C(16) Ir(2) C(17) 38.6(2) . . yes
C(16) Ir(2) C(18) 65.2(2) . . yes
C(16) Ir(2) C(19) 65.6(2) . . yes
C(17) Ir(2) C(18) 39.1(2) . . yes
C(17) Ir(2) C(19) 65.1(2) . . yes
C(18) Ir(2) C(19) 38.4(2) . . yes
N(2) Ir(3) N(6) 85.0(2) . . yes
N(2) Ir(3) N(7) 75.7(2) . . yes
N(2) Ir(3) C(25) 154.5(2) . . yes
N(2) Ir(3) C(26) 150.4(2) . . yes
N(2) Ir(3) C(27) 111.9(2) . . yes
N(2) Ir(3) C(28) 96.5(2) . . yes
N(2) Ir(3) C(29) 115.2(2) . . yes
N(6) Ir(3) N(7) 75.9(2) . . yes
N(6) Ir(3) C(25) 98.5(2) . . yes
N(6) Ir(3) C(26) 124.2(2) . . yes
N(6) Ir(3) C(27) 162.9(2) . . yes
N(6) Ir(3) C(28) 141.1(2) . . yes
N(6) Ir(3) C(29) 105.5(2) . . yes
N(7) Ir(3) C(25) 129.8(2) . . yes
N(7) Ir(3) C(26) 104.5(2) . . yes
N(7) Ir(3) C(27) 109.9(2) . . yes
N(7) Ir(3) C(28) 142.2(2) . . yes
N(7) Ir(3) C(29) 169.1(2) . . yes
C(25) Ir(3) C(26) 38.2(2) . . yes
C(25) Ir(3) C(27) 65.1(2) . . yes
C(25) Ir(3) C(28) 65.0(2) . . yes
C(25) Ir(3) C(29) 39.5(2) . . yes
C(26) Ir(3) C(27) 39.3(2) . . yes
C(26) Ir(3) C(28) 64.8(2) . . yes
C(26) Ir(3) C(29) 65.5(2) . . yes
C(27) Ir(3) C(28) 38.3(2) . . yes
C(27) Ir(3) C(29) 65.8(2) . . yes
C(28) Ir(3) C(29) 39.3(2) . . yes
N(4) Ir(4) N(6) 85.6(2) . . yes
N(4) Ir(4) N(7) 75.4(2) . . yes
N(4) Ir(4) C(35) 108.3(2) . . yes
N(4) Ir(4) C(36) 97.0(2) . . yes
N(4) Ir(4) C(37) 119.1(2) . . yes
N(4) Ir(4) C(38) 158.7(2) . . yes
N(4) Ir(4) C(39) 146.0(2) . . yes
N(6) Ir(4) N(7) 75.8(2) . . yes
N(6) Ir(4) C(35) 109.4(2) . . yes
N(6) Ir(4) C(36) 147.8(2) . . yes
N(6) Ir(4) C(37) 155.4(2) . . yes
N(6) Ir(4) C(38) 115.8(2) . . yes
N(6) Ir(4) C(39) 95.4(2) . . yes
N(7) Ir(4) C(35) 173.6(2) . . yes
N(7) Ir(4) C(36) 136.0(2) . . yes
N(7) Ir(4) C(37) 108.4(2) . . yes
N(7) Ir(4) C(38) 108.4(2) . . yes
N(7) Ir(4) C(39) 137.8(2) . . yes
C(35) Ir(4) C(36) 39.3(2) . . yes
C(35) Ir(4) C(37) 65.3(2) . . yes
C(35) Ir(4) C(38) 66.3(2) . . yes
C(35) Ir(4) C(39) 39.6(2) . . yes
C(36) Ir(4) C(37) 37.9(2) . . yes
C(36) Ir(4) C(38) 65.4(2) . . yes
C(36) Ir(4) C(39) 65.0(2) . . yes
C(37) Ir(4) C(38) 39.6(2) . . yes
C(37) Ir(4) C(39) 64.8(2) . . yes
C(38) Ir(4) C(39) 38.6(2) . . yes
Ir(1) N(1) C(1) 123.6(4) . . yes
Ir(2) N(2) Ir(3) 106.7(2) . . yes
Ir(2) N(2) C(1) 118.9(4) . . yes
Ir(3) N(2) C(1) 121.5(4) . . yes
Ir(1) N(3) C(2) 122.1(4) . . yes
Ir(2) N(4) Ir(4) 107.3(2) . . yes
Ir(2) N(4) C(2) 120.0(4) . . yes
Ir(4) N(4) C(2) 121.1(4) . . yes
Ir(1) N(5) C(3) 125.3(4) . . yes
Ir(3) N(6) Ir(4) 105.7(2) . . yes
Ir(3) N(6) C(3) 120.9(4) . . yes
Ir(4) N(6) C(3) 118.8(4) . . yes
Ir(2) N(7) Ir(3) 101.4(2) . . yes
Ir(2) N(7) Ir(4) 101.3(2) . . yes
Ir(2) N(7) C(4) 114.8(4) . . yes
Ir(3) N(7) Ir(4) 101.4(2) . . yes
Ir(3) N(7) C(4) 119.3(4) . . yes
Ir(4) N(7) C(4) 115.9(4) . . yes
N(1) C(1) N(2) 176.7(6) . . yes
N(3) C(2) N(4) 176.7(6) . . yes
N(5) C(3) N(6) 176.5(6) . . yes
N(7) C(4) N(8) 179.6(6) . . yes
Ir(1) C(5) C(6) 70.5(4) . . yes
Ir(1) C(5) C(9) 70.9(4) . . yes
Ir(1) C(5) C(10) 123.4(5) . . yes
C(6) C(5) C(9) 109.4(6) . . yes
C(6) C(5) C(10) 124.5(9) . . yes
C(9) C(5) C(10) 126.0(9) . . yes
Ir(1) C(6) C(5) 70.4(4) . . yes
Ir(1) C(6) C(7) 70.9(4) . . yes
Ir(1) C(6) C(11) 125.8(5) . . yes
C(5) C(6) C(7) 106.8(6) . . yes
C(5) C(6) C(11) 126.1(9) . . yes
C(7) C(6) C(11) 127.1(9) . . yes
Ir(1) C(7) C(6) 69.8(3) . . yes
Ir(1) C(7) C(8) 70.6(3) . . yes
Ir(1) C(7) C(12) 124.8(5) . . yes
C(6) C(7) C(8) 107.9(6) . . yes
C(6) C(7) C(12) 125.9(8) . . yes
C(8) C(7) C(12) 126.2(8) . . yes
Ir(1) C(8) C(7) 71.2(3) . . yes
Ir(1) C(8) C(9) 70.2(4) . . yes
Ir(1) C(8) C(13) 124.0(5) . . yes
C(7) C(8) C(9) 108.9(6) . . yes
C(7) C(8) C(13) 124.3(8) . . yes
C(9) C(8) C(13) 126.8(8) . . yes
Ir(1) C(9) C(5) 70.6(4) . . yes
Ir(1) C(9) C(8) 70.6(3) . . yes
Ir(1) C(9) C(14) 127.6(5) . . yes
C(5) C(9) C(8) 107.0(6) . . yes
C(5) C(9) C(14) 128.2(9) . . yes
C(8) C(9) C(14) 124.6(9) . . yes
Ir(2) C(15) C(16) 70.7(3) . . yes
Ir(2) C(15) C(19) 71.0(3) . . yes
Ir(2) C(15) C(20) 123.0(4) . . yes
C(16) C(15) C(19) 106.6(5) . . yes
C(16) C(15) C(20) 126.9(5) . . yes
C(19) C(15) C(20) 126.6(6) . . yes
Ir(2) C(16) C(15) 69.5(3) . . yes
Ir(2) C(16) C(17) 71.6(3) . . yes
Ir(2) C(16) C(21) 123.4(4) . . yes
C(15) C(16) C(17) 108.7(5) . . yes
C(15) C(16) C(21) 125.2(5) . . yes
C(17) C(16) C(21) 126.1(6) . . yes
Ir(2) C(17) C(16) 69.8(3) . . yes
Ir(2) C(17) C(18) 70.3(3) . . yes
Ir(2) C(17) C(22) 126.6(4) . . yes
C(16) C(17) C(18) 107.8(5) . . yes
C(16) C(17) C(22) 126.3(6) . . yes
C(18) C(17) C(22) 125.9(6) . . yes
Ir(2) C(18) C(17) 70.6(3) . . yes
Ir(2) C(18) C(19) 70.2(3) . . yes
Ir(2) C(18) C(23) 127.2(4) . . yes
C(17) C(18) C(19) 108.2(5) . . yes
C(17) C(18) C(23) 124.9(6) . . yes
C(19) C(18) C(23) 126.8(6) . . yes
Ir(2) C(19) C(15) 69.4(3) . . yes
Ir(2) C(19) C(18) 71.4(3) . . yes
Ir(2) C(19) C(24) 123.3(4) . . yes
C(15) C(19) C(18) 108.8(5) . . yes
C(15) C(19) C(24) 125.1(6) . . yes
C(18) C(19) C(24) 126.1(6) . . yes
Ir(3) C(25) C(26) 71.2(3) . . yes
Ir(3) C(25) C(29) 69.0(3) . . yes
Ir(3) C(25) C(30) 124.7(5) . . yes
C(26) C(25) C(29) 108.5(5) . . yes
C(26) C(25) C(30) 126.6(6) . . yes
C(29) C(25) C(30) 125.0(6) . . yes
Ir(3) C(26) C(25) 70.6(3) . . yes
Ir(3) C(26) C(27) 69.8(3) . . yes
Ir(3) C(26) C(31) 128.3(4) . . yes
C(25) C(26) C(27) 107.9(5) . . yes
C(25) C(26) C(31) 126.6(6) . . yes
C(27) C(26) C(31) 125.3(6) . . yes
Ir(3) C(27) C(26) 70.9(3) . . yes
Ir(3) C(27) C(28) 70.7(3) . . yes
Ir(3) C(27) C(32) 127.1(4) . . yes
C(26) C(27) C(28) 107.6(5) . . yes
C(26) C(27) C(32) 125.8(5) . . yes
C(28) C(27) C(32) 126.5(6) . . yes
Ir(3) C(28) C(27) 70.9(3) . . yes
Ir(3) C(28) C(29) 69.5(3) . . yes
Ir(3) C(28) C(33) 125.1(5) . . yes
C(27) C(28) C(29) 109.2(5) . . yes
C(27) C(28) C(33) 126.8(6) . . yes
C(29) C(28) C(33) 124.1(6) . . yes
Ir(3) C(29) C(25) 71.5(3) . . yes
Ir(3) C(29) C(28) 71.2(3) . . yes
Ir(3) C(29) C(34) 126.3(5) . . yes
C(25) C(29) C(28) 106.8(5) . . yes
C(25) C(29) C(34) 126.0(6) . . yes
C(28) C(29) C(34) 127.0(6) . . yes
Ir(4) C(35) C(36) 71.4(3) . . yes
Ir(4) C(35) C(39) 71.2(3) . . yes
Ir(4) C(35) C(40) 122.7(4) . . yes
C(36) C(35) C(39) 106.6(5) . . yes
C(36) C(35) C(40) 128.5(6) . . yes
C(39) C(35) C(40) 125.0(6) . . yes
Ir(4) C(36) C(35) 69.3(3) . . yes
Ir(4) C(36) C(37) 71.2(3) . . yes
Ir(4) C(36) C(41) 123.8(4) . . yes
C(35) C(36) C(37) 109.1(6) . . yes
C(35) C(36) C(41) 125.1(6) . . yes
C(37) C(36) C(41) 125.8(6) . . yes
Ir(4) C(37) C(36) 70.9(3) . . yes
Ir(4) C(37) C(38) 70.1(3) . . yes
Ir(4) C(37) C(42) 127.4(4) . . yes
C(36) C(37) C(38) 108.8(5) . . yes
C(36) C(37) C(42) 127.4(6) . . yes
C(38) C(37) C(42) 123.7(6) . . yes
Ir(4) C(38) C(37) 70.3(3) . . yes
Ir(4) C(38) C(39) 70.7(3) . . yes
Ir(4) C(38) C(43) 126.5(4) . . yes
C(37) C(38) C(39) 106.4(5) . . yes
C(37) C(38) C(43) 125.9(5) . . yes
C(39) C(38) C(43) 127.6(6) . . yes
Ir(4) C(39) C(35) 69.2(3) . . yes
Ir(4) C(39) C(38) 70.7(3) . . yes
Ir(4) C(39) C(44) 123.5(4) . . yes
C(35) C(39) C(38) 109.1(5) . . yes
C(35) C(39) C(44) 124.3(5) . . yes
C(38) C(39) C(44) 126.6(6) . . yes
C(48) C(45) C(49) 98(1) . 2_655 yes
C(47) C(46) C(49) 131(1) . . yes
C(47) C(46) C(48) 125(1) 2_655 . yes
C(45) C(47) C(46) 131(1) . . yes
C(45) C(47) C(46) 126(1) . 2_655 yes
C(46) C(47) C(46) 102(1) . 2_655 yes
C(45) C(48) C(46) 134(1) . . yes
C(45) C(49) C(46) 127(1) 2_655 . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ir(1) N(1) 2.109(5) . yes
Ir(1) N(3) 2.120(5) . yes
Ir(1) N(5) 2.103(5) . yes
Ir(1) C(5) 2.138(7) . yes
Ir(1) C(6) 2.139(6) . yes
Ir(1) C(7) 2.155(6) . yes
Ir(1) C(8) 2.147(6) . yes
Ir(1) C(9) 2.143(6) . yes
Ir(2) N(2) 2.095(5) . yes
Ir(2) N(4) 2.090(5) . yes
Ir(2) N(7) 2.186(4) . yes
Ir(2) C(15) 2.141(6) . yes
Ir(2) C(16) 2.157(6) . yes
Ir(2) C(17) 2.181(6) . yes
Ir(2) C(18) 2.177(6) . yes
Ir(2) C(19) 2.162(6) . yes
Ir(3) N(2) 2.094(5) . yes
Ir(3) N(6) 2.105(5) . yes
Ir(3) N(7) 2.160(4) . yes
Ir(3) C(25) 2.166(6) . yes
Ir(3) C(26) 2.174(6) . yes
Ir(3) C(27) 2.158(6) . yes
Ir(3) C(28) 2.155(6) . yes
Ir(3) C(29) 2.132(6) . yes
Ir(4) N(4) 2.091(5) . yes
Ir(4) N(6) 2.100(4) . yes
Ir(4) N(7) 2.170(4) . yes
Ir(4) C(35) 2.131(6) . yes
Ir(4) C(36) 2.158(6) . yes
Ir(4) C(37) 2.162(5) . yes
Ir(4) C(38) 2.159(5) . yes
Ir(4) C(39) 2.159(6) . yes
N(1) C(1) 1.212(7) . yes
N(2) C(1) 1.252(7) . yes
N(3) C(2) 1.201(8) . yes
N(4) C(2) 1.245(7) . yes
N(5) C(3) 1.199(7) . yes
N(6) C(3) 1.262(7) . yes
N(7) C(4) 1.305(7) . yes
N(8) C(4) 1.177(7) . yes
C(5) C(6) 1.43(1) . yes
C(5) C(9) 1.41(1) . yes
C(5) C(10) 1.49(1) . yes
C(6) C(7) 1.45(1) . yes
C(6) C(11) 1.49(1) . yes
C(7) C(8) 1.407(10) . yes
C(7) C(12) 1.49(1) . yes
C(8) C(9) 1.44(1) . yes
C(8) C(13) 1.53(1) . yes
C(9) C(14) 1.49(1) . yes
C(15) C(16) 1.462(8) . yes
C(15) C(19) 1.458(8) . yes
C(15) C(20) 1.493(8) . yes
C(16) C(17) 1.433(8) . yes
C(16) C(21) 1.504(8) . yes
C(17) C(18) 1.457(9) . yes
C(17) C(22) 1.497(9) . yes
C(18) C(19) 1.428(9) . yes
C(18) C(23) 1.495(9) . yes
C(19) C(24) 1.475(10) . yes
C(25) C(26) 1.421(8) . yes
C(25) C(29) 1.451(9) . yes
C(25) C(30) 1.504(9) . yes
C(26) C(27) 1.457(8) . yes
C(26) C(31) 1.489(8) . yes
C(27) C(28) 1.416(8) . yes
C(27) C(32) 1.497(9) . yes
C(28) C(29) 1.442(9) . yes
C(28) C(33) 1.486(8) . yes
C(29) C(34) 1.522(9) . yes
C(35) C(36) 1.442(9) . yes
C(35) C(39) 1.453(9) . yes
C(35) C(40) 1.510(8) . yes
C(36) C(37) 1.401(9) . yes
C(36) C(41) 1.505(10) . yes
C(37) C(38) 1.465(9) . yes
C(37) C(42) 1.500(8) . yes
C(38) C(39) 1.426(8) . yes
C(38) C(43) 1.481(9) . yes
C(39) C(44) 1.499(9) . yes
C(45) C(47) 1.19(2) . yes
C(45) C(48) 1.58(2) . yes
C(45) C(49) 1.66(2) 2_655 yes
C(46) C(47) 1.53(2) . yes
C(46) C(47) 1.63(2) 2_655 yes
C(46) C(48) 1.11(2) . yes
C(46) C(49) 1.15(2) . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
N(5) C(44) 3.442(8) 2_666
N(8) C(48) 3.41(2) 1_455
C(14) C(24) 3.46(1) 1_655
C(26) C(49) 3.54(2) 2_655
C(27) C(49) 3.38(2) 2_655
C(27) C(46) 3.59(1) 2_655
C(28) C(49) 3.47(2) 2_655
C(29) C(45) 3.59(1) .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ir(1) N(1) C(1) N(2) 167(10) . . . yes
Ir(1) N(3) C(2) N(4) -159(10) . . . yes
Ir(1) N(5) C(3) N(6) -161(9) . . . yes
Ir(1) C(5) C(6) C(7) -62.0(4) . . . yes
Ir(1) C(5) C(6) C(11) 120.6(7) . . . yes
Ir(1) C(5) C(9) C(8) 61.5(4) . . . yes
Ir(1) C(5) C(9) C(14) -123.1(7) . . . yes
Ir(1) C(6) C(5) C(9) 60.6(5) . . . yes
Ir(1) C(6) C(5) C(10) -117.7(7) . . . yes
Ir(1) C(6) C(7) C(8) -60.6(4) . . . yes
Ir(1) C(6) C(7) C(12) 119.0(6) . . . yes
Ir(1) C(7) C(6) C(5) 61.7(4) . . . yes
Ir(1) C(7) C(6) C(11) -120.9(7) . . . yes
Ir(1) C(7) C(8) C(9) -60.4(4) . . . yes
Ir(1) C(7) C(8) C(13) 118.9(6) . . . yes
Ir(1) C(8) C(7) C(6) 60.1(4) . . . yes
Ir(1) C(8) C(7) C(12) -119.5(7) . . . yes
Ir(1) C(8) C(9) C(5) -61.5(4) . . . yes
Ir(1) C(8) C(9) C(14) 122.9(7) . . . yes
Ir(1) C(9) C(5) C(6) -60.3(5) . . . yes
Ir(1) C(9) C(5) C(10) 117.9(7) . . . yes
Ir(1) C(9) C(8) C(7) 61.0(4) . . . yes
Ir(1) C(9) C(8) C(13) -118.3(7) . . . yes
Ir(2) N(2) Ir(3) N(6) -85.1(2) . . . yes
Ir(2) N(2) Ir(3) N(7) -8.4(2) . . . yes
Ir(2) N(2) Ir(3) C(25) 175.6(4) . . . yes
Ir(2) N(2) Ir(3) C(26) 85.9(4) . . . yes
Ir(2) N(2) Ir(3) C(27) 97.6(2) . . . yes
Ir(2) N(2) Ir(3) C(28) 134.0(2) . . . yes
Ir(2) N(2) Ir(3) C(29) 170.2(2) . . . yes
Ir(2) N(2) C(1) N(1) -100(10) . . . yes
Ir(2) N(4) Ir(4) N(6) 84.2(2) . . . yes
Ir(2) N(4) Ir(4) N(7) 7.7(2) . . . yes
Ir(2) N(4) Ir(4) C(35) -166.8(2) . . . yes
Ir(2) N(4) Ir(4) C(36) -128.2(2) . . . yes
Ir(2) N(4) Ir(4) C(37) -95.5(3) . . . yes
Ir(2) N(4) Ir(4) C(38) -95.4(5) . . . yes
Ir(2) N(4) Ir(4) C(39) 177.2(3) . . . yes
Ir(2) N(4) C(2) N(3) 89(10) . . . yes
Ir(2) N(7) Ir(3) N(2) 7.9(2) . . . yes
Ir(2) N(7) Ir(3) N(6) 96.2(2) . . . yes
Ir(2) N(7) Ir(3) C(25) -174.4(2) . . . yes
Ir(2) N(7) Ir(3) C(26) -141.5(2) . . . yes
Ir(2) N(7) Ir(3) C(27) -100.7(2) . . . yes
Ir(2) N(7) Ir(3) C(28) -74.2(3) . . . yes
Ir(2) N(7) Ir(3) C(29) -165.2(10) . . . yes
Ir(2) N(7) Ir(4) N(4) -7.1(2) . . . yes
Ir(2) N(7) Ir(4) N(6) -96.2(2) . . . yes
Ir(2) N(7) Ir(4) C(35) 118(1) . . . yes
Ir(2) N(7) Ir(4) C(36) 77.7(3) . . . yes
Ir(2) N(7) Ir(4) C(37) 109.1(2) . . . yes
Ir(2) N(7) Ir(4) C(38) 151.0(2) . . . yes
Ir(2) N(7) Ir(4) C(39) -178.4(2) . . . yes
Ir(2) N(7) C(4) N(8) 71.7 . . . yes
Ir(2) C(15) C(16) C(17) 61.2(4) . . . yes
Ir(2) C(15) C(16) C(21) -117.2(6) . . . yes
Ir(2) C(15) C(19) C(18) -60.8(4) . . . yes
Ir(2) C(15) C(19) C(24) 116.9(6) . . . yes
Ir(2) C(16) C(15) C(19) -62.3(4) . . . yes
Ir(2) C(16) C(15) C(20) 117.3(6) . . . yes
Ir(2) C(16) C(17) C(18) 60.4(4) . . . yes
Ir(2) C(16) C(17) C(22) -121.2(6) . . . yes
Ir(2) C(17) C(16) C(15) -59.9(4) . . . yes
Ir(2) C(17) C(16) C(21) 118.5(6) . . . yes
Ir(2) C(17) C(18) C(19) 60.4(4) . . . yes
Ir(2) C(17) C(18) C(23) -122.5(6) . . . yes
Ir(2) C(18) C(17) C(16) -60.0(4) . . . yes
Ir(2) C(18) C(17) C(22) 121.5(6) . . . yes
Ir(2) C(18) C(19) C(15) 59.6(4) . . . yes
Ir(2) C(18) C(19) C(24) -118.1(6) . . . yes
Ir(2) C(19) C(15) C(16) 62.1(4) . . . yes
Ir(2) C(19) C(15) C(20) -117.5(6) . . . yes
Ir(2) C(19) C(18) C(17) -60.7(4) . . . yes
Ir(2) C(19) C(18) C(23) 122.3(6) . . . yes
Ir(3) N(2) Ir(2) N(4) 84.0(2) . . . yes
Ir(3) N(2) Ir(2) N(7) 8.3(2) . . . yes
Ir(3) N(2) Ir(2) C(15) -166.3(2) . . . yes
Ir(3) N(2) Ir(2) C(16) -127.0(2) . . . yes
Ir(3) N(2) Ir(2) C(17) -94.3(3) . . . yes
Ir(3) N(2) Ir(2) C(18) -97.9(6) . . . yes
Ir(3) N(2) Ir(2) C(19) 176.8(3) . . . yes
Ir(3) N(2) C(1) N(1) 123(10) . . . yes
Ir(3) N(6) Ir(4) N(4) -84.4(2) . . . yes
Ir(3) N(6) Ir(4) N(7) -8.4(2) . . . yes
Ir(3) N(6) Ir(4) C(35) 167.7(2) . . . yes
Ir(3) N(6) Ir(4) C(36) 179.5(3) . . . yes
Ir(3) N(6) Ir(4) C(37) 94.9(5) . . . yes
Ir(3) N(6) Ir(4) C(38) 95.4(2) . . . yes
Ir(3) N(6) Ir(4) C(39) 129.7(2) . . . yes
Ir(3) N(6) C(3) N(5) -133(9) . . . yes
Ir(3) N(7) Ir(2) N(2) -7.9(2) . . . yes
Ir(3) N(7) Ir(2) N(4) -97.1(2) . . . yes
Ir(3) N(7) Ir(2) C(15) 111(1) . . . yes
Ir(3) N(7) Ir(2) C(16) 76.6(3) . . . yes
Ir(3) N(7) Ir(2) C(17) 109.4(2) . . . yes
Ir(3) N(7) Ir(2) C(18) 150.8(2) . . . yes
Ir(3) N(7) Ir(2) C(19) -177.9(3) . . . yes
Ir(3) N(7) Ir(4) N(4) 97.1(2) . . . yes
Ir(3) N(7) Ir(4) N(6) 8.0(2) . . . yes
Ir(3) N(7) Ir(4) C(35) -137(1) . . . yes
Ir(3) N(7) Ir(4) C(36) -178.1(2) . . . yes
Ir(3) N(7) Ir(4) C(37) -146.7(2) . . . yes
Ir(3) N(7) Ir(4) C(38) -104.8(2) . . . yes
Ir(3) N(7) Ir(4) C(39) -74.2(3) . . . yes
Ir(3) N(7) C(4) N(8) -48.9 . . . yes
Ir(3) C(25) C(26) C(27) 60.0(4) . . . yes
Ir(3) C(25) C(26) C(31) -123.8(6) . . . yes
Ir(3) C(25) C(29) C(28) -62.9(4) . . . yes
Ir(3) C(25) C(29) C(34) 121.9(6) . . . yes
Ir(3) C(26) C(25) C(29) -59.1(4) . . . yes
Ir(3) C(26) C(25) C(30) 119.7(7) . . . yes
Ir(3) C(26) C(27) C(28) 61.6(4) . . . yes
Ir(3) C(26) C(27) C(32) -122.5(6) . . . yes
Ir(3) C(27) C(26) C(25) -60.5(4) . . . yes
Ir(3) C(27) C(26) C(31) 123.2(6) . . . yes
Ir(3) C(27) C(28) C(29) 59.1(4) . . . yes
Ir(3) C(27) C(28) C(33) -120.1(6) . . . yes
Ir(3) C(28) C(27) C(26) -61.7(4) . . . yes
Ir(3) C(28) C(27) C(32) 122.4(6) . . . yes
Ir(3) C(28) C(29) C(25) 63.1(4) . . . yes
Ir(3) C(28) C(29) C(34) -121.8(6) . . . yes
Ir(3) C(29) C(25) C(26) 60.5(4) . . . yes
Ir(3) C(29) C(25) C(30) -118.4(6) . . . yes
Ir(3) C(29) C(28) C(27) -60.0(4) . . . yes
Ir(3) C(29) C(28) C(33) 119.3(6) . . . yes
Ir(4) N(4) Ir(2) N(2) -83.4(2) . . . yes
Ir(4) N(4) Ir(2) N(7) -7.6(2) . . . yes
Ir(4) N(4) Ir(2) C(15) 169.4(2) . . . yes
Ir(4) N(4) Ir(2) C(16) -179.0(3) . . . yes
Ir(4) N(4) Ir(2) C(17) 93.2(5) . . . yes
Ir(4) N(4) Ir(2) C(18) 97.4(3) . . . yes
Ir(4) N(4) Ir(2) C(19) 131.6(2) . . . yes
Ir(4) N(4) C(2) N(3) -131(10) . . . yes
Ir(4) N(6) Ir(3) N(2) 84.9(2) . . . yes
Ir(4) N(6) Ir(3) N(7) 8.4(2) . . . yes
Ir(4) N(6) Ir(3) C(25) -120.6(2) . . . yes
Ir(4) N(6) Ir(3) C(26) -89.7(3) . . . yes
Ir(4) N(6) Ir(3) C(27) -103.7(6) . . . yes
Ir(4) N(6) Ir(3) C(28) 179.0(3) . . . yes
Ir(4) N(6) Ir(3) C(29) -160.4(2) . . . yes
Ir(4) N(6) C(3) N(5) 92(9) . . . yes
Ir(4) N(7) Ir(2) N(2) 96.4(2) . . . yes
Ir(4) N(7) Ir(2) N(4) 7.2(2) . . . yes
Ir(4) N(7) Ir(2) C(15) -144(1) . . . yes
Ir(4) N(7) Ir(2) C(16) -179.2(2) . . . yes
Ir(4) N(7) Ir(2) C(17) -146.3(2) . . . yes
Ir(4) N(7) Ir(2) C(18) -105.0(2) . . . yes
Ir(4) N(7) Ir(2) C(19) -73.7(3) . . . yes
Ir(4) N(7) Ir(3) N(2) -96.3(2) . . . yes
Ir(4) N(7) Ir(3) N(6) -8.0(2) . . . yes
Ir(4) N(7) Ir(3) C(25) 81.5(3) . . . yes
Ir(4) N(7) Ir(3) C(26) 114.3(2) . . . yes
Ir(4) N(7) Ir(3) C(27) 155.2(2) . . . yes
Ir(4) N(7) Ir(3) C(28) -178.3(3) . . . yes
Ir(4) N(7) Ir(3) C(29) 90(1) . . . yes
Ir(4) N(7) C(4) N(8) -170.6 . . . yes
Ir(4) C(35) C(36) C(37) 60.4(4) . . . yes
Ir(4) C(35) C(36) C(41) -117.5(6) . . . yes
Ir(4) C(35) C(39) C(38) -59.7(4) . . . yes
Ir(4) C(35) C(39) C(44) 117.0(5) . . . yes
Ir(4) C(36) C(35) C(39) -63.0(4) . . . yes
Ir(4) C(36) C(35) C(40) 117.4(6) . . . yes
Ir(4) C(36) C(37) C(38) 60.1(4) . . . yes
Ir(4) C(36) C(37) C(42) -123.0(6) . . . yes
Ir(4) C(37) C(36) C(35) -59.2(4) . . . yes
Ir(4) C(37) C(36) C(41) 118.6(6) . . . yes
Ir(4) C(37) C(38) C(39) 61.9(4) . . . yes
Ir(4) C(37) C(38) C(43) -121.4(6) . . . yes
Ir(4) C(38) C(37) C(36) -60.6(4) . . . yes
Ir(4) C(38) C(37) C(42) 122.4(5) . . . yes
Ir(4) C(38) C(39) C(35) 58.7(4) . . . yes
Ir(4) C(38) C(39) C(44) -117.9(6) . . . yes
Ir(4) C(39) C(35) C(36) 63.1(4) . . . yes
Ir(4) C(39) C(35) C(40) -117.3(6) . . . yes
Ir(4) C(39) C(38) C(37) -61.6(4) . . . yes
Ir(4) C(39) C(38) C(43) 121.8(6) . . . yes
N(1) Ir(1) N(3) C(2) 44.7(5) . . . yes
N(1) Ir(1) N(5) C(3) -43.1(5) . . . yes
N(1) Ir(1) C(5) C(6) 150.6(4) . . . yes
N(1) Ir(1) C(5) C(9) 31.0(6) . . . yes
N(1) Ir(1) C(5) C(10) -90.2(10) . . . yes
N(1) Ir(1) C(6) C(5) -86.5(9) . . . yes
N(1) Ir(1) C(6) C(7) 30.1(10) . . . yes
N(1) Ir(1) C(6) C(11) 152.5(9) . . . yes
N(1) Ir(1) C(7) C(6) -168.2(4) . . . yes
N(1) Ir(1) C(7) C(8) -49.7(5) . . . yes
N(1) Ir(1) C(7) C(12) 71.5(8) . . . yes
N(1) Ir(1) C(8) C(7) 139.8(4) . . . yes
N(1) Ir(1) C(8) C(9) -101.1(4) . . . yes
N(1) Ir(1) C(8) C(13) 20.6(8) . . . yes
N(1) Ir(1) C(9) C(5) -158.5(4) . . . yes
N(1) Ir(1) C(9) C(8) 84.5(4) . . . yes
N(1) Ir(1) C(9) C(14) -34.8(10) . . . yes
N(2) Ir(2) N(4) C(2) 60.3(5) . . . yes
N(2) Ir(2) N(7) C(4) -137.9(4) . . . yes
N(2) Ir(2) C(15) C(16) 79.0(3) . . . yes
N(2) Ir(2) C(15) C(19) -164.9(3) . . . yes
N(2) Ir(2) C(15) C(20) -43.1(5) . . . yes
N(2) Ir(2) C(16) C(15) -109.7(3) . . . yes
N(2) Ir(2) C(16) C(17) 131.3(3) . . . yes
N(2) Ir(2) C(16) C(21) 9.7(5) . . . yes
N(2) Ir(2) C(17) C(16) -59.5(4) . . . yes
N(2) Ir(2) C(17) C(18) -178.0(3) . . . yes
N(2) Ir(2) C(17) C(22) 61.4(6) . . . yes
N(2) Ir(2) C(18) C(17) 5.0(8) . . . yes
N(2) Ir(2) C(18) C(19) -113.7(6) . . . yes
N(2) Ir(2) C(18) C(23) 124.6(7) . . . yes
N(2) Ir(2) C(19) C(15) 25.8(6) . . . yes
N(2) Ir(2) C(19) C(18) 145.0(4) . . . yes
N(2) Ir(2) C(19) C(24) -93.5(6) . . . yes
N(2) Ir(3) N(6) C(3) -53.8(4) . . . yes
N(2) Ir(3) N(7) C(4) 135.0(4) . . . yes
N(2) Ir(3) C(25) C(26) -127.0(5) . . . yes
N(2) Ir(3) C(25) C(29) -7.7(7) . . . yes
N(2) Ir(3) C(25) C(30) 111.0(7) . . . yes
N(2) Ir(3) C(26) C(25) 135.8(4) . . . yes
N(2) Ir(3) C(26) C(27) 17.3(6) . . . yes
N(2) Ir(3) C(26) C(31) -102.3(6) . . . yes
N(2) Ir(3) C(27) C(26) -170.9(3) . . . yes
N(2) Ir(3) C(27) C(28) 71.8(4) . . . yes
N(2) Ir(3) C(27) C(32) -49.9(6) . . . yes
N(2) Ir(3) C(28) C(27) -117.5(4) . . . yes
N(2) Ir(3) C(28) C(29) 122.4(3) . . . yes
N(2) Ir(3) C(28) C(33) 4.6(6) . . . yes
N(2) Ir(3) C(29) C(25) 176.3(3) . . . yes
N(2) Ir(3) C(29) C(28) -67.9(4) . . . yes
N(2) Ir(3) C(29) C(34) 54.8(7) . . . yes
N(3) Ir(1) N(1) C(1) -44.2(5) . . . yes
N(3) Ir(1) N(5) C(3) 46.2(5) . . . yes
N(3) Ir(1) C(5) C(6) -28.0(6) . . . yes
N(3) Ir(1) C(5) C(9) -147.7(4) . . . yes
N(3) Ir(1) C(5) C(10) 91.1(10) . . . yes
N(3) Ir(1) C(6) C(5) 160.4(4) . . . yes
N(3) Ir(1) C(6) C(7) -83.1(4) . . . yes
N(3) Ir(1) C(6) C(11) 39.4(10) . . . yes
N(3) Ir(1) C(7) C(6) 101.1(4) . . . yes
N(3) Ir(1) C(7) C(8) -140.4(4) . . . yes
N(3) Ir(1) C(7) C(12) -19.2(8) . . . yes
N(3) Ir(1) C(8) C(7) 47.8(5) . . . yes
N(3) Ir(1) C(8) C(9) 166.9(4) . . . yes
N(3) Ir(1) C(8) C(13) -71.5(8) . . . yes
N(3) Ir(1) C(9) C(5) 86.0(8) . . . yes
N(3) Ir(1) C(9) C(8) -31.0(9) . . . yes
N(3) Ir(1) C(9) C(14) -150.3(8) . . . yes
N(4) Ir(2) N(2) C(1) -58.1(4) . . . yes
N(4) Ir(2) N(7) C(4) 132.8(4) . . . yes
N(4) Ir(2) C(15) C(16) 170.7(3) . . . yes
N(4) Ir(2) C(15) C(19) -73.2(4) . . . yes
N(4) Ir(2) C(15) C(20) 48.6(5) . . . yes
N(4) Ir(2) C(16) C(15) -17.2(6) . . . yes
N(4) Ir(2) C(16) C(17) -136.2(4) . . . yes
N(4) Ir(2) C(16) C(21) 102.1(6) . . . yes
N(4) Ir(2) C(17) C(16) 124.4(5) . . . yes
N(4) Ir(2) C(17) C(18) 5.9(7) . . . yes
N(4) Ir(2) C(17) C(22) -114.8(6) . . . yes
N(4) Ir(2) C(18) C(17) -177.2(3) . . . yes
N(4) Ir(2) C(18) C(19) 64.2(4) . . . yes
N(4) Ir(2) C(18) C(23) -57.5(7) . . . yes
N(4) Ir(2) C(19) C(15) 115.5(3) . . . yes
N(4) Ir(2) C(19) C(18) -125.2(4) . . . yes
N(4) Ir(2) C(19) C(24) -3.8(5) . . . yes
N(4) Ir(4) N(6) C(3) 55.3(4) . . . yes
N(4) Ir(4) N(7) C(4) -132.1(4) . . . yes
N(4) Ir(4) C(35) C(36) 78.4(4) . . . yes
N(4) Ir(4) C(35) C(39) -166.0(3) . . . yes
N(4) Ir(4) C(35) C(40) -46.0(6) . . . yes
N(4) Ir(4) C(36) C(35) -110.5(3) . . . yes
N(4) Ir(4) C(36) C(37) 129.7(4) . . . yes
N(4) Ir(4) C(36) C(41) 8.7(6) . . . yes
N(4) Ir(4) C(37) C(36) -60.8(4) . . . yes
N(4) Ir(4) C(37) C(38) 179.9(3) . . . yes
N(4) Ir(4) C(37) C(42) 62.2(7) . . . yes
N(4) Ir(4) C(38) C(37) -0.1(7) . . . yes
N(4) Ir(4) C(38) C(39) -116.4(6) . . . yes
N(4) Ir(4) C(38) C(43) 120.5(6) . . . yes
N(4) Ir(4) C(39) C(35) 24.2(5) . . . yes
N(4) Ir(4) C(39) C(38) 144.4(4) . . . yes
N(4) Ir(4) C(39) C(44) -93.9(6) . . . yes
N(5) Ir(1) N(1) C(1) 43.8(5) . . . yes
N(5) Ir(1) N(3) C(2) -42.5(5) . . . yes
N(5) Ir(1) C(5) C(6) -119.2(4) . . . yes
N(5) Ir(1) C(5) C(9) 121.1(4) . . . yes
N(5) Ir(1) C(5) C(10) -0.1(10) . . . yes
N(5) Ir(1) C(6) C(5) 69.0(5) . . . yes
N(5) Ir(1) C(6) C(7) -174.4(4) . . . yes
N(5) Ir(1) C(6) C(11) -51(1) . . . yes
N(5) Ir(1) C(7) C(6) 10.5(7) . . . yes
N(5) Ir(1) C(7) C(8) 129.0(5) . . . yes
N(5) Ir(1) C(7) C(12) -109.7(8) . . . yes
N(5) Ir(1) C(8) C(7) -127.0(5) . . . yes
N(5) Ir(1) C(8) C(9) -7.9(7) . . . yes
N(5) Ir(1) C(8) C(13) 113.8(8) . . . yes
N(5) Ir(1) C(9) C(5) -67.2(5) . . . yes
N(5) Ir(1) C(9) C(8) 175.9(4) . . . yes
N(5) Ir(1) C(9) C(14) 56.6(10) . . . yes
N(6) Ir(3) N(2) C(1) 55.9(5) . . . yes
N(6) Ir(3) N(7) C(4) -136.6(4) . . . yes
N(6) Ir(3) C(25) C(26) 136.7(3) . . . yes
N(6) Ir(3) C(25) C(29) -104.0(4) . . . yes
N(6) Ir(3) C(25) C(30) 14.8(6) . . . yes
N(6) Ir(3) C(26) C(25) -55.0(4) . . . yes
N(6) Ir(3) C(26) C(27) -173.6(3) . . . yes
N(6) Ir(3) C(26) C(31) 66.8(6) . . . yes
N(6) Ir(3) C(27) C(26) 18.3(8) . . . yes
N(6) Ir(3) C(27) C(28) -99.0(7) . . . yes
N(6) Ir(3) C(27) C(32) 139.3(6) . . . yes
N(6) Ir(3) C(28) C(27) 152.4(4) . . . yes
N(6) Ir(3) C(28) C(29) 32.4(5) . . . yes
N(6) Ir(3) C(28) C(33) -85.5(6) . . . yes
N(6) Ir(3) C(29) C(25) 84.6(4) . . . yes
N(6) Ir(3) C(29) C(28) -159.6(3) . . . yes
N(6) Ir(3) C(29) C(34) -36.9(7) . . . yes
N(6) Ir(4) N(4) C(2) -59.0(5) . . . yes
N(6) Ir(4) N(7) C(4) 138.8(4) . . . yes
N(6) Ir(4) C(35) C(36) 170.1(3) . . . yes
N(6) Ir(4) C(35) C(39) -74.3(3) . . . yes
N(6) Ir(4) C(35) C(40) 45.8(6) . . . yes
N(6) Ir(4) C(36) C(35) -17.7(6) . . . yes
N(6) Ir(4) C(36) C(37) -137.5(4) . . . yes
N(6) Ir(4) C(36) C(41) 101.5(6) . . . yes
N(6) Ir(4) C(37) C(36) 120.0(5) . . . yes
N(6) Ir(4) C(37) C(38) 0.8(7) . . . yes
N(6) Ir(4) C(37) C(42) -116.9(6) . . . yes
N(6) Ir(4) C(38) C(37) -179.6(3) . . . yes
N(6) Ir(4) C(38) C(39) 64.0(4) . . . yes
N(6) Ir(4) C(38) C(43) -59.0(6) . . . yes
N(6) Ir(4) C(39) C(35) 114.2(3) . . . yes
N(6) Ir(4) C(39) C(38) -125.6(4) . . . yes
N(6) Ir(4) C(39) C(44) -3.9(5) . . . yes
N(7) Ir(2) N(2) C(1) -133.8(5) . . . yes
N(7) Ir(2) N(4) C(2) 136.0(5) . . . yes
N(7) Ir(2) C(15) C(16) -38(1) . . . yes
N(7) Ir(2) C(15) C(19) 77(1) . . . yes
N(7) Ir(2) C(15) C(20) -160(1) . . . yes
N(7) Ir(2) C(16) C(15) 174.7(3) . . . yes
N(7) Ir(2) C(16) C(17) 55.7(4) . . . yes
N(7) Ir(2) C(16) C(21) -65.9(6) . . . yes
N(7) Ir(2) C(17) C(16) -142.4(3) . . . yes
N(7) Ir(2) C(17) C(18) 99.1(4) . . . yes
N(7) Ir(2) C(17) C(22) -21.6(6) . . . yes
N(7) Ir(2) C(18) C(17) -94.8(4) . . . yes
N(7) Ir(2) C(18) C(19) 146.6(3) . . . yes
N(7) Ir(2) C(18) C(23) 24.8(7) . . . yes
N(7) Ir(2) C(19) C(15) -171.2(3) . . . yes
N(7) Ir(2) C(19) C(18) -51.9(5) . . . yes
N(7) Ir(2) C(19) C(24) 69.5(6) . . . yes
N(7) Ir(3) N(2) C(1) 132.6(5) . . . yes
N(7) Ir(3) N(6) C(3) -130.3(5) . . . yes
N(7) Ir(3) C(25) C(26) 58.0(4) . . . yes
N(7) Ir(3) C(25) C(29) 177.3(3) . . . yes
N(7) Ir(3) C(25) C(30) -64.0(6) . . . yes
N(7) Ir(3) C(26) C(25) -137.7(3) . . . yes
N(7) Ir(3) C(26) C(27) 103.8(3) . . . yes
N(7) Ir(3) C(26) C(31) -15.8(6) . . . yes
N(7) Ir(3) C(27) C(26) -88.8(3) . . . yes
N(7) Ir(3) C(27) C(28) 153.8(3) . . . yes
N(7) Ir(3) C(27) C(32) 32.2(6) . . . yes
N(7) Ir(3) C(28) C(27) -42.6(5) . . . yes
N(7) Ir(3) C(28) C(29) -162.6(3) . . . yes
N(7) Ir(3) C(28) C(33) 79.5(6) . . . yes
N(7) Ir(3) C(29) C(25) -11(1) . . . yes
N(7) Ir(3) C(29) C(28) 104(1) . . . yes
N(7) Ir(3) C(29) C(34) -132.6(10) . . . yes
N(7) Ir(4) N(4) C(2) -135.5(5) . . . yes
N(7) Ir(4) N(6) C(3) 131.4(4) . . . yes
N(7) Ir(4) C(35) C(36) -45(2) . . . yes
N(7) Ir(4) C(35) C(39) 69(1) . . . yes
N(7) Ir(4) C(35) C(40) -170(1) . . . yes
N(7) Ir(4) C(36) C(35) 173.4(3) . . . yes
N(7) Ir(4) C(36) C(37) 53.6(5) . . . yes
N(7) Ir(4) C(36) C(41) -67.4(7) . . . yes
N(7) Ir(4) C(37) C(36) -143.9(3) . . . yes
N(7) Ir(4) C(37) C(38) 96.8(3) . . . yes
N(7) Ir(4) C(37) C(42) -20.9(7) . . . yes
N(7) Ir(4) C(38) C(37) -96.9(3) . . . yes
N(7) Ir(4) C(38) C(39) 146.8(3) . . . yes
N(7) Ir(4) C(38) C(43) 23.7(6) . . . yes
N(7) Ir(4) C(39) C(35) -171.0(3) . . . yes
N(7) Ir(4) C(39) C(38) -50.8(5) . . . yes
N(7) Ir(4) C(39) C(44) 70.9(6) . . . yes
C(1) N(1) Ir(1) C(5) 136.8(5) . . . yes
C(1) N(1) Ir(1) C(6) -158.9(7) . . . yes
C(1) N(1) Ir(1) C(7) -136.8(5) . . . yes
C(1) N(1) Ir(1) C(8) -165.0(5) . . . yes
C(1) N(1) Ir(1) C(9) 155.8(5) . . . yes
C(1) N(2) Ir(2) C(15) 51.6(5) . . . yes
C(1) N(2) Ir(2) C(16) 90.8(5) . . . yes
C(1) N(2) Ir(2) C(17) 123.6(4) . . . yes
C(1) N(2) Ir(2) C(18) 120.0(7) . . . yes
C(1) N(2) Ir(2) C(19) 34.7(6) . . . yes
C(1) N(2) Ir(3) C(25) -43.5(7) . . . yes
C(1) N(2) Ir(3) C(26) -133.2(5) . . . yes
C(1) N(2) Ir(3) C(27) -121.4(5) . . . yes
C(1) N(2) Ir(3) C(28) -85.1(5) . . . yes
C(1) N(2) Ir(3) C(29) -48.9(5) . . . yes
C(2) N(3) Ir(1) C(5) -136.2(5) . . . yes
C(2) N(3) Ir(1) C(6) -153.6(5) . . . yes
C(2) N(3) Ir(1) C(7) 167.3(5) . . . yes
C(2) N(3) Ir(1) C(8) 140.0(5) . . . yes
C(2) N(3) Ir(1) C(9) 162.3(7) . . . yes
C(2) N(4) Ir(2) C(15) -47.0(5) . . . yes
C(2) N(4) Ir(2) C(16) -35.3(7) . . . yes
C(2) N(4) Ir(2) C(17) -123.1(5) . . . yes
C(2) N(4) Ir(2) C(18) -119.0(5) . . . yes
C(2) N(4) Ir(2) C(19) -84.8(5) . . . yes
C(2) N(4) Ir(4) C(35) 50.0(5) . . . yes
C(2) N(4) Ir(4) C(36) 88.7(5) . . . yes
C(2) N(4) Ir(4) C(37) 121.3(5) . . . yes
C(2) N(4) Ir(4) C(38) 121.4(6) . . . yes
C(2) N(4) Ir(4) C(39) 34.0(6) . . . yes
C(3) N(5) Ir(1) C(5) -178.7(6) . . . yes
C(3) N(5) Ir(1) C(6) 145.1(5) . . . yes
C(3) N(5) Ir(1) C(7) 138.0(5) . . . yes
C(3) N(5) Ir(1) C(8) -138.3(6) . . . yes
C(3) N(5) Ir(1) C(9) -143.6(5) . . . yes
C(3) N(6) Ir(3) C(25) 100.7(5) . . . yes
C(3) N(6) Ir(3) C(26) 131.6(4) . . . yes
C(3) N(6) Ir(3) C(27) 117.7(7) . . . yes
C(3) N(6) Ir(3) C(28) 40.3(6) . . . yes
C(3) N(6) Ir(3) C(29) 60.9(5) . . . yes
C(3) N(6) Ir(4) C(35) -52.5(5) . . . yes
C(3) N(6) Ir(4) C(36) -40.7(6) . . . yes
C(3) N(6) Ir(4) C(37) -125.4(5) . . . yes
C(3) N(6) Ir(4) C(38) -124.8(4) . . . yes
C(3) N(6) Ir(4) C(39) -90.6(4) . . . yes
C(4) N(7) Ir(2) C(15) -18(2) . . . yes
C(4) N(7) Ir(2) C(16) -53.5(5) . . . yes
C(4) N(7) Ir(2) C(17) -20.7(4) . . . yes
C(4) N(7) Ir(2) C(18) 20.7(5) . . . yes
C(4) N(7) Ir(2) C(19) 52.0(5) . . . yes
C(4) N(7) Ir(3) C(25) -47.2(5) . . . yes
C(4) N(7) Ir(3) C(26) -14.4(4) . . . yes
C(4) N(7) Ir(3) C(27) 26.5(5) . . . yes
C(4) N(7) Ir(3) C(28) 53.0(5) . . . yes
C(4) N(7) Ir(3) C(29) -38(1) . . . yes
C(4) N(7) Ir(4) C(35) -6(2) . . . yes
C(4) N(7) Ir(4) C(36) -47.2(5) . . . yes
C(4) N(7) Ir(4) C(37) -15.9(5) . . . yes
C(4) N(7) Ir(4) C(38) 26.0(5) . . . yes
C(4) N(7) Ir(4) C(39) 56.6(5) . . . yes
C(5) Ir(1) C(6) C(7) 116.6(6) . . . yes
C(5) Ir(1) C(6) C(11) -120(1) . . . yes
C(5) Ir(1) C(7) C(6) -38.4(4) . . . yes
C(5) Ir(1) C(7) C(8) 80.1(5) . . . yes
C(5) Ir(1) C(7) C(12) -158.7(9) . . . yes
C(5) Ir(1) C(8) C(7) -81.2(5) . . . yes
C(5) Ir(1) C(8) C(9) 37.9(4) . . . yes
C(5) Ir(1) C(8) C(13) 159.5(9) . . . yes
C(5) Ir(1) C(9) C(8) -116.9(6) . . . yes
C(5) Ir(1) C(9) C(14) 123(1) . . . yes
C(5) C(6) Ir(1) C(7) -116.6(6) . . . yes
C(5) C(6) Ir(1) C(8) -79.8(5) . . . yes
C(5) C(6) Ir(1) C(9) -36.4(4) . . . yes
C(5) C(6) C(7) C(8) 1.0(7) . . . yes
C(5) C(6) C(7) C(12) -179.4(6) . . . yes
C(5) C(9) Ir(1) C(6) 37.0(4) . . . yes
C(5) C(9) Ir(1) C(7) 80.5(5) . . . yes
C(5) C(9) Ir(1) C(8) 116.9(6) . . . yes
C(5) C(9) C(8) C(7) -0.6(7) . . . yes
C(5) C(9) C(8) C(13) -179.8(6) . . . yes
C(6) Ir(1) C(5) C(9) -119.7(6) . . . yes
C(6) Ir(1) C(5) C(10) 119(1) . . . yes
C(6) Ir(1) C(7) C(8) 118.5(6) . . . yes
C(6) Ir(1) C(7) C(12) -120.3(9) . . . yes
C(6) Ir(1) C(8) C(7) -37.9(4) . . . yes
C(6) Ir(1) C(8) C(9) 81.2(5) . . . yes
C(6) Ir(1) C(8) C(13) -157.2(9) . . . yes
C(6) Ir(1) C(9) C(8) -80.0(4) . . . yes
C(6) Ir(1) C(9) C(14) 160(1) . . . yes
C(6) C(5) Ir(1) C(7) 38.7(4) . . . yes
C(6) C(5) Ir(1) C(8) 81.1(5) . . . yes
C(6) C(5) Ir(1) C(9) 119.7(6) . . . yes
C(6) C(5) C(9) C(8) 1.2(7) . . . yes
C(6) C(5) C(9) C(14) 176.6(7) . . . yes
C(6) C(7) Ir(1) C(8) -118.5(6) . . . yes
C(6) C(7) Ir(1) C(9) -81.0(5) . . . yes
C(6) C(7) C(8) C(9) -0.3(7) . . . yes
C(6) C(7) C(8) C(13) 179.0(6) . . . yes
C(7) Ir(1) C(5) C(9) -80.9(4) . . . yes
C(7) Ir(1) C(5) C(10) 157(1) . . . yes
C(7) Ir(1) C(6) C(11) 122(1) . . . yes
C(7) Ir(1) C(8) C(9) 119.1(6) . . . yes
C(7) Ir(1) C(8) C(13) -119.2(10) . . . yes
C(7) Ir(1) C(9) C(8) -36.5(4) . . . yes
C(7) Ir(1) C(9) C(14) -155(1) . . . yes
C(7) C(6) Ir(1) C(8) 36.8(4) . . . yes
C(7) C(6) Ir(1) C(9) 80.1(4) . . . yes
C(7) C(6) C(5) C(9) -1.4(7) . . . yes
C(7) C(6) C(5) C(10) -179.7(6) . . . yes
C(7) C(8) Ir(1) C(9) -119.1(6) . . . yes
C(7) C(8) C(9) C(14) -176.2(6) . . . yes
C(8) Ir(1) C(5) C(9) -38.6(4) . . . yes
C(8) Ir(1) C(5) C(10) -159(1) . . . yes
C(8) Ir(1) C(6) C(11) 159(1) . . . yes
C(8) Ir(1) C(7) C(12) 121.2(9) . . . yes
C(8) Ir(1) C(9) C(14) -119(1) . . . yes
C(8) C(7) Ir(1) C(9) 37.5(4) . . . yes
C(8) C(7) C(6) C(11) 178.4(7) . . . yes
C(8) C(9) C(5) C(10) 179.5(7) . . . yes
C(9) Ir(1) C(5) C(10) -121(1) . . . yes
C(9) Ir(1) C(6) C(11) -157(1) . . . yes
C(9) Ir(1) C(7) C(12) 158.7(9) . . . yes
C(9) Ir(1) C(8) C(13) 121.7(10) . . . yes
C(9) C(5) C(6) C(11) -178.8(7) . . . yes
C(9) C(8) C(7) C(12) -179.9(6) . . . yes
C(10) C(5) C(6) C(11) 2(1) . . . yes
C(10) C(5) C(9) C(14) -5(1) . . . yes
C(11) C(6) C(7) C(12) -1(1) . . . yes
C(12) C(7) C(8) C(13) -0.6(10) . . . yes
C(13) C(8) C(9) C(14) 4(1) . . . yes
C(15) Ir(2) C(16) C(17) -119.0(5) . . . yes
C(15) Ir(2) C(16) C(21) 119.3(6) . . . yes
C(15) Ir(2) C(17) C(16) 37.8(3) . . . yes
C(15) Ir(2) C(17) C(18) -80.7(4) . . . yes
C(15) Ir(2) C(17) C(22) 158.7(6) . . . yes
C(15) Ir(2) C(18) C(17) 81.0(4) . . . yes
C(15) Ir(2) C(18) C(19) -37.6(3) . . . yes
C(15) Ir(2) C(18) C(23) -159.3(7) . . . yes
C(15) Ir(2) C(19) C(18) 119.3(5) . . . yes
C(15) Ir(2) C(19) C(24) -119.3(7) . . . yes
C(15) C(16) Ir(2) C(17) 119.0(5) . . . yes
C(15) C(16) Ir(2) C(18) 81.4(4) . . . yes
C(15) C(16) Ir(2) C(19) 38.9(3) . . . yes
C(15) C(16) C(17) C(18) 0.5(6) . . . yes
C(15) C(16) C(17) C(22) 178.9(5) . . . yes
C(15) C(19) Ir(2) C(16) -39.1(3) . . . yes
C(15) C(19) Ir(2) C(17) -81.7(4) . . . yes
C(15) C(19) Ir(2) C(18) -119.3(5) . . . yes
C(15) C(19) C(18) C(17) -1.1(6) . . . yes
C(15) C(19) C(18) C(23) -178.1(6) . . . yes
C(16) Ir(2) C(15) C(19) 116.1(5) . . . yes
C(16) Ir(2) C(15) C(20) -122.0(6) . . . yes
C(16) Ir(2) C(17) C(18) -118.5(5) . . . yes
C(16) Ir(2) C(17) C(22) 120.9(7) . . . yes
C(16) Ir(2) C(18) C(17) 37.1(3) . . . yes
C(16) Ir(2) C(18) C(19) -81.5(4) . . . yes
C(16) Ir(2) C(18) C(23) 156.8(7) . . . yes
C(16) Ir(2) C(19) C(18) 80.2(4) . . . yes
C(16) Ir(2) C(19) C(24) -158.4(6) . . . yes
C(16) C(15) Ir(2) C(17) -36.7(3) . . . yes
C(16) C(15) Ir(2) C(18) -79.7(4) . . . yes
C(16) C(15) Ir(2) C(19) -116.1(5) . . . yes
C(16) C(15) C(19) C(18) 1.3(6) . . . yes
C(16) C(15) C(19) C(24) 179.0(6) . . . yes
C(16) C(17) Ir(2) C(18) 118.5(5) . . . yes
C(16) C(17) Ir(2) C(19) 81.5(4) . . . yes
C(16) C(17) C(18) C(19) 0.4(6) . . . yes
C(16) C(17) C(18) C(23) 177.5(5) . . . yes
C(17) Ir(2) C(15) C(19) 79.5(4) . . . yes
C(17) Ir(2) C(15) C(20) -158.7(6) . . . yes
C(17) Ir(2) C(16) C(21) -121.7(7) . . . yes
C(17) Ir(2) C(18) C(19) -118.6(5) . . . yes
C(17) Ir(2) C(18) C(23) 119.7(8) . . . yes
C(17) Ir(2) C(19) C(18) 37.6(4) . . . yes
C(17) Ir(2) C(19) C(24) 159.0(6) . . . yes
C(17) C(16) Ir(2) C(18) -37.6(4) . . . yes
C(17) C(16) Ir(2) C(19) -80.1(4) . . . yes
C(17) C(16) C(15) C(19) -1.1(6) . . . yes
C(17) C(16) C(15) C(20) 178.6(5) . . . yes
C(17) C(18) Ir(2) C(19) 118.6(5) . . . yes
C(17) C(18) C(19) C(24) -178.7(6) . . . yes
C(18) Ir(2) C(15) C(19) 36.5(4) . . . yes
C(18) Ir(2) C(15) C(20) 158.3(6) . . . yes
C(18) Ir(2) C(16) C(21) -159.3(6) . . . yes
C(18) Ir(2) C(17) C(22) -120.7(7) . . . yes
C(18) Ir(2) C(19) C(24) 121.4(7) . . . yes
C(18) C(17) Ir(2) C(19) -37.0(4) . . . yes
C(18) C(17) C(16) C(21) 178.8(5) . . . yes
C(18) C(19) C(15) C(20) -178.3(6) . . . yes
C(19) Ir(2) C(15) C(20) 121.8(7) . . . yes
C(19) Ir(2) C(16) C(21) 158.3(6) . . . yes
C(19) Ir(2) C(17) C(22) -157.6(6) . . . yes
C(19) Ir(2) C(18) C(23) -121.7(8) . . . yes
C(19) C(15) C(16) C(21) -179.5(5) . . . yes
C(19) C(18) C(17) C(22) -178.1(5) . . . yes
C(20) C(15) C(16) C(21) 0.2(9) . . . yes
C(20) C(15) C(19) C(24) -0.7(9) . . . yes
C(21) C(16) C(17) C(22) -2.7(9) . . . yes
C(22) C(17) C(18) C(23) -1.0(9) . . . yes
C(23) C(18) C(19) C(24) 4.2(10) . . . yes
C(25) Ir(3) C(26) C(27) -118.5(5) . . . yes
C(25) Ir(3) C(26) C(31) 121.9(7) . . . yes
C(25) Ir(3) C(27) C(26) 36.8(3) . . . yes
C(25) Ir(3) C(27) C(28) -80.5(4) . . . yes
C(25) Ir(3) C(27) C(32) 157.8(6) . . . yes
C(25) Ir(3) C(28) C(27) 80.9(4) . . . yes
C(25) Ir(3) C(28) C(29) -39.1(4) . . . yes
C(25) Ir(3) C(28) C(33) -157.0(6) . . . yes
C(25) Ir(3) C(29) C(28) 115.8(5) . . . yes
C(25) Ir(3) C(29) C(34) -121.5(8) . . . yes
C(25) C(26) Ir(3) C(27) 118.5(5) . . . yes
C(25) C(26) Ir(3) C(28) 81.0(4) . . . yes
C(25) C(26) Ir(3) C(29) 37.5(4) . . . yes
C(25) C(26) C(27) C(28) 1.0(7) . . . yes
C(25) C(26) C(27) C(32) 177.0(6) . . . yes
C(25) C(29) Ir(3) C(26) -36.4(3) . . . yes
C(25) C(29) Ir(3) C(27) -79.7(4) . . . yes
C(25) C(29) Ir(3) C(28) -115.8(5) . . . yes
C(25) C(29) C(28) C(27) 3.1(7) . . . yes
C(25) C(29) C(28) C(33) -177.6(6) . . . yes
C(26) Ir(3) C(25) C(29) 119.3(5) . . . yes
C(26) Ir(3) C(25) C(30) -122.0(7) . . . yes
C(26) Ir(3) C(27) C(28) -117.3(5) . . . yes
C(26) Ir(3) C(27) C(32) 121.0(6) . . . yes
C(26) Ir(3) C(28) C(27) 38.5(4) . . . yes
C(26) Ir(3) C(28) C(29) -81.5(4) . . . yes
C(26) Ir(3) C(28) C(33) 160.6(6) . . . yes
C(26) Ir(3) C(29) C(28) 79.4(4) . . . yes
C(26) Ir(3) C(29) C(34) -157.9(7) . . . yes
C(26) C(25) Ir(3) C(27) -37.8(3) . . . yes
C(26) C(25) Ir(3) C(28) -80.3(4) . . . yes
C(26) C(25) Ir(3) C(29) -119.3(5) . . . yes
C(26) C(25) C(29) C(28) -2.4(7) . . . yes
C(26) C(25) C(29) C(34) -177.6(6) . . . yes
C(26) C(27) Ir(3) C(28) 117.3(5) . . . yes
C(26) C(27) Ir(3) C(29) 80.4(4) . . . yes
C(26) C(27) C(28) C(29) -2.6(7) . . . yes
C(26) C(27) C(28) C(33) 178.1(6) . . . yes
C(27) Ir(3) C(25) C(29) 81.4(4) . . . yes
C(27) Ir(3) C(25) C(30) -159.8(6) . . . yes
C(27) Ir(3) C(26) C(31) -119.6(7) . . . yes
C(27) Ir(3) C(28) C(29) -120.0(5) . . . yes
C(27) Ir(3) C(28) C(33) 122.1(7) . . . yes
C(27) Ir(3) C(29) C(28) 36.1(3) . . . yes
C(27) Ir(3) C(29) C(34) 158.7(7) . . . yes
C(27) C(26) Ir(3) C(28) -37.5(3) . . . yes
C(27) C(26) Ir(3) C(29) -81.0(4) . . . yes
C(27) C(26) C(25) C(29) 0.9(7) . . . yes
C(27) C(26) C(25) C(30) 179.7(6) . . . yes
C(27) C(28) Ir(3) C(29) 120.0(5) . . . yes
C(27) C(28) C(29) C(34) 178.2(6) . . . yes
C(28) Ir(3) C(25) C(29) 39.0(3) . . . yes
C(28) Ir(3) C(25) C(30) 157.7(6) . . . yes
C(28) Ir(3) C(26) C(31) -157.1(6) . . . yes
C(28) Ir(3) C(27) C(32) -121.7(7) . . . yes
C(28) Ir(3) C(29) C(34) 122.7(8) . . . yes
C(28) C(27) Ir(3) C(29) -37.0(4) . . . yes
C(28) C(27) C(26) C(31) -175.2(5) . . . yes
C(28) C(29) C(25) C(30) 178.7(6) . . . yes
C(29) Ir(3) C(25) C(30) 118.8(7) . . . yes
C(29) Ir(3) C(26) C(31) 159.4(6) . . . yes
C(29) Ir(3) C(27) C(32) -158.7(6) . . . yes
C(29) Ir(3) C(28) C(33) -117.9(7) . . . yes
C(29) C(25) C(26) C(31) 177.1(6) . . . yes
C(29) C(28) C(27) C(32) -178.5(6) . . . yes
C(30) C(25) C(26) C(31) -4(1) . . . yes
C(30) C(25) C(29) C(34) 3(1) . . . yes
C(31) C(26) C(27) C(32) 0.7(9) . . . yes
C(32) C(27) C(28) C(33) 2(1) . . . yes
C(33) C(28) C(29) C(34) -2(1) . . . yes
C(35) Ir(4) C(36) C(37) -119.8(5) . . . yes
C(35) Ir(4) C(36) C(41) 119.2(7) . . . yes
C(35) Ir(4) C(37) C(36) 37.2(4) . . . yes
C(35) Ir(4) C(37) C(38) -82.0(4) . . . yes
C(35) Ir(4) C(37) C(42) 160.3(7) . . . yes
C(35) Ir(4) C(38) C(37) 79.3(4) . . . yes
C(35) Ir(4) C(38) C(39) -37.0(4) . . . yes
C(35) Ir(4) C(38) C(43) -160.0(6) . . . yes
C(35) Ir(4) C(39) C(38) 120.2(5) . . . yes
C(35) Ir(4) C(39) C(44) -118.1(6) . . . yes
C(35) C(36) Ir(4) C(37) 119.8(5) . . . yes
C(35) C(36) Ir(4) C(38) 82.0(4) . . . yes
C(35) C(36) Ir(4) C(39) 39.4(3) . . . yes
C(35) C(36) C(37) C(38) 0.8(6) . . . yes
C(35) C(36) C(37) C(42) 177.7(5) . . . yes
C(35) C(39) Ir(4) C(36) -39.0(3) . . . yes
C(35) C(39) Ir(4) C(37) -81.0(4) . . . yes
C(35) C(39) Ir(4) C(38) -120.2(5) . . . yes
C(35) C(39) C(38) C(37) -2.9(6) . . . yes
C(35) C(39) C(38) C(43) -179.5(5) . . . yes
C(36) Ir(4) C(35) C(39) 115.6(5) . . . yes
C(36) Ir(4) C(35) C(40) -124.3(7) . . . yes
C(36) Ir(4) C(37) C(38) -119.2(5) . . . yes
C(36) Ir(4) C(37) C(42) 123.0(8) . . . yes
C(36) Ir(4) C(38) C(37) 36.1(3) . . . yes
C(36) Ir(4) C(38) C(39) -80.2(4) . . . yes
C(36) Ir(4) C(38) C(43) 156.8(6) . . . yes
C(36) Ir(4) C(39) C(38) 81.2(4) . . . yes
C(36) Ir(4) C(39) C(44) -157.1(6) . . . yes
C(36) C(35) Ir(4) C(37) -35.9(3) . . . yes
C(36) C(35) Ir(4) C(38) -79.5(4) . . . yes
C(36) C(35) Ir(4) C(39) -115.6(5) . . . yes
C(36) C(35) C(39) C(38) 3.4(6) . . . yes
C(36) C(35) C(39) C(44) -179.9(5) . . . yes
C(36) C(37) Ir(4) C(38) 119.2(5) . . . yes
C(36) C(37) Ir(4) C(39) 81.1(4) . . . yes
C(36) C(37) C(38) C(39) 1.3(6) . . . yes
C(36) C(37) C(38) C(43) 178.0(5) . . . yes
C(37) Ir(4) C(35) C(39) 79.7(4) . . . yes
C(37) Ir(4) C(35) C(40) -160.2(6) . . . yes
C(37) Ir(4) C(36) C(41) -121.0(7) . . . yes
C(37) Ir(4) C(38) C(39) -116.3(5) . . . yes
C(37) Ir(4) C(38) C(43) 120.7(7) . . . yes
C(37) Ir(4) C(39) C(38) 39.2(4) . . . yes
C(37) Ir(4) C(39) C(44) 160.9(6) . . . yes
C(37) C(36) Ir(4) C(38) -37.8(3) . . . yes
C(37) C(36) Ir(4) C(39) -80.4(4) . . . yes
C(37) C(36) C(35) C(39) -2.6(6) . . . yes
C(37) C(36) C(35) C(40) 177.8(5) . . . yes
C(37) C(38) Ir(4) C(39) 116.3(5) . . . yes
C(37) C(38) C(39) C(44) -179.5(5) . . . yes
C(38) Ir(4) C(35) C(39) 36.1(3) . . . yes
C(38) Ir(4) C(35) C(40) 156.2(6) . . . yes
C(38) Ir(4) C(36) C(41) -158.8(6) . . . yes
C(38) Ir(4) C(37) C(42) -117.7(7) . . . yes
C(38) Ir(4) C(39) C(44) 121.7(7) . . . yes
C(38) C(37) Ir(4) C(39) -38.1(3) . . . yes
C(38) C(37) C(36) C(41) 178.7(5) . . . yes
C(38) C(39) C(35) C(40) -177.0(5) . . . yes
C(39) Ir(4) C(35) C(40) 120.1(7) . . . yes
C(39) Ir(4) C(36) C(41) 158.6(7) . . . yes
C(39) Ir(4) C(37) C(42) -155.9(7) . . . yes
C(39) Ir(4) C(38) C(43) -123.0(7) . . . yes
C(39) C(35) C(36) C(41) 179.6(5) . . . yes
C(39) C(38) C(37) C(42) -175.8(5) . . . yes
C(40) C(35) C(36) C(41) -0.1(9) . . . yes
C(40) C(35) C(39) C(44) -0.3(9) . . . yes
C(41) C(36) C(37) C(42) -4.4(9) . . . yes
C(42) C(37) C(38) C(43) 0.9(9) . . . yes
C(43) C(38) C(39) C(44) 3.9(9) . . . yes
C(45) C(47) C(46) C(49) 176(2) . . . yes
C(45) C(47) C(46) C(48) -179(1) . 2_655 2_655 yes
C(45) C(48) C(46) C(47) -2(2) . . 2_655 yes
C(45) C(49) C(46) C(47) -2(2) 2_655 2_655 2_655 yes
C(46) C(47) C(46) C(48) -2(1) . 2_655 2_655 yes
C(46) C(47) C(46) C(49) 0(1) 2_655 2_655 2_655 yes
C(46) C(48) C(45) C(49) 0(2) . . 2_655 yes
C(46) C(49) C(45) C(48) -2(2) . 2_655 2_655 yes
