#------------------------------------------------------------------------------
#$Date: 2020-11-06 13:58:59 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258794 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/56/7705647.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_7705647
loop_
_publ_author_name
'Dutschke, Patrick D.'
'Bente, Stefanie'
'Daniliuc, Constantin G.'
'Kinas, Jenny'
'Hepp, Alexander'
'Hahn, F. Ekkehardt'
_publ_section_title
;
 Chemoselective synthesis of heterobimetallic bis-NHC complexes.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14388
_journal_page_last               14392
_journal_paper_doi               10.1039/d0dt03369c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C29 H33 I2 Ir N6 O2, 2(C2 H3 N)'
_chemical_formula_sum            'C33 H39 I2 Ir N8 O2'
_chemical_formula_weight         1025.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2019-09-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-06-05 deposited with the CCDC.	2020-10-09 downloaded from the CCDC.
;
_cell_angle_alpha                116.8130(10)
_cell_angle_beta                 105.4610(10)
_cell_angle_gamma                91.0970(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4757(2)
_cell_length_b                   15.2789(3)
_cell_length_c                   15.8657(3)
_cell_measurement_reflns_used    9943
_cell_measurement_temperature    100
_cell_measurement_theta_max      32.10
_cell_measurement_theta_min      2.67
_cell_volume                     1743.98(7)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      99.98
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'Omega and Phi scans'
_diffrn_radiation_monochromator  'Goebel mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0340
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.902
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33039
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.902
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.303
_diffrn_reflns_theta_min         1.512
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.641
_exptl_absorpt_correction_T_max  0.7464
_exptl_absorpt_correction_T_min  0.4897
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1281 before and 0.0403 after correction. The Ratio of minimum to maximum transmission is 0.6561. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_description       block
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.242
_exptl_crystal_size_mid          0.092
_exptl_crystal_size_min          0.085
_refine_diff_density_max         1.512
_refine_diff_density_min         -0.899
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         11192
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0200P)²+1.2400P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0513
_refine_ls_wR_factor_ref         0.0525
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10273
_reflns_number_total             11192
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt03369c2.cif
_cod_data_source_block           pd1
_cod_depositor_comments
'Adding full bibliography for 7705647--7705651.cif.'
_cod_original_cell_volume        1743.98(6)
_cod_database_code               7705647
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.646
_shelx_estimated_absorpt_t_min   0.342
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C17(H17A,H17B)
2.b Aromatic/amide H refined with riding coordinates:
 C12(H12), C13(H13), C16(H16), C21(H21), C22(H22)
2.c Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C31(H31A,H31B,
 H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C), C35(H35A,
 H35B,H35C), C38(H38A,H38B,H38C), C36(H36A,H36B,H36C)
;
_olex2_date_sample_data_collection 2019-09-09
_olex2_date_sample_submission    2019-09-09
_olex2_submission_original_sample_id pd190909
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.70020(2) 0.12857(2) 0.80420(2) 0.01123(3) Uani 1 1 d . . . . .
I1 I 0.91085(2) 0.00573(2) 0.72834(2) 0.01866(4) Uani 1 1 d . . . . .
I2 I 1.01058(2) 0.22737(2) 0.44443(2) 0.02472(4) Uani 1 1 d . . . . .
O1 O 0.5491(2) 0.66308(14) 0.50406(15) 0.0221(4) Uani 1 1 d . . . . .
O2 O 0.8743(2) 0.61308(14) 0.75484(14) 0.0227(4) Uani 1 1 d . . . . .
N1 N 0.7106(3) 0.63649(15) 0.62772(16) 0.0171(4) Uani 1 1 d . . . . .
N3 N 0.6684(3) 0.52395(15) 0.45860(16) 0.0169(4) Uani 1 1 d . . . . .
N7 N 0.9272(2) 0.42033(15) 0.58971(16) 0.0155(4) Uani 1 1 d . . . . .
N9 N 0.8088(3) 0.38100(16) 0.42950(16) 0.0183(4) Uani 1 1 d . . . . .
N18 N 0.4554(2) 0.12425(15) 0.62614(15) 0.0150(4) Uani 1 1 d . . . . .
N20 N 0.4350(2) -0.02168(16) 0.61257(16) 0.0173(4) Uani 1 1 d . . . . .
C2 C 0.6372(3) 0.61082(18) 0.52848(19) 0.0169(5) Uani 1 1 d . . . . .
C4 C 0.7675(3) 0.46742(18) 0.48950(19) 0.0158(4) Uani 1 1 d . . . . .
C5 C 0.8363(3) 0.49441(17) 0.58764(18) 0.0143(4) Uani 1 1 d . . . . .
C6 C 0.8152(3) 0.58319(18) 0.66576(19) 0.0166(5) Uani 1 1 d . . . . .
C8 C 0.9047(3) 0.35522(19) 0.4935(2) 0.0185(5) Uani 1 1 d . . . . .
C10 C 1.0243(3) 0.4150(2) 0.6781(2) 0.0192(5) Uani 1 1 d . . . . .
H10A H 1.056017 0.483018 0.734876 0.023 Uiso 1 1 calc R . . . .
H10B H 1.127853 0.390020 0.667051 0.023 Uiso 1 1 calc R . . . .
C11 C 0.9370(3) 0.34964(18) 0.70576(18) 0.0149(4) Uani 1 1 d . . . . .
C12 C 1.0344(3) 0.32041(19) 0.7712(2) 0.0190(5) Uani 1 1 d . . . . .
H12 H 1.150645 0.343021 0.797590 0.023 Uiso 1 1 calc R . . . .
C13 C 0.9632(3) 0.2584(2) 0.7985(2) 0.0196(5) Uani 1 1 d . . . . .
H13 H 1.032772 0.239171 0.842870 0.024 Uiso 1 1 calc R . . . .
C14 C 0.7915(3) 0.22327(17) 0.76239(18) 0.0141(4) Uani 1 1 d . . . . .
C15 C 0.6948(3) 0.25788(17) 0.70049(18) 0.0134(4) Uani 1 1 d . . . . .
C16 C 0.7667(3) 0.31885(17) 0.67120(18) 0.0144(4) Uani 1 1 d . . . . .
H16 H 0.698143 0.339144 0.627405 0.017 Uiso 1 1 calc R . . . .
C17 C 0.5081(3) 0.23023(18) 0.66451(19) 0.0151(4) Uani 1 1 d . . . . .
H17A H 0.463754 0.268564 0.720059 0.018 Uiso 1 1 calc R . . . .
H17B H 0.461217 0.248531 0.611548 0.018 Uiso 1 1 calc R . . . .
C19 C 0.5223(3) 0.07192(17) 0.67227(18) 0.0139(4) Uani 1 1 d . . . . .
C21 C 0.3175(3) -0.0270(2) 0.5304(2) 0.0221(5) Uani 1 1 d . . . . .
H21 H 0.242643 -0.084390 0.477923 0.027 Uiso 1 1 calc R . . . .
C22 C 0.3296(3) 0.0649(2) 0.53914(19) 0.0195(5) Uani 1 1 d . . . . .
H22 H 0.264454 0.085122 0.494250 0.023 Uiso 1 1 calc R . . . .
C23 C 0.4640(3) -0.10792(19) 0.6277(2) 0.0253(6) Uani 1 1 d . . . . .
H23A H 0.497001 -0.157764 0.572574 0.038 Uiso 1 1 calc GR . . . .
H23B H 0.361946 -0.136349 0.630357 0.038 Uiso 1 1 calc GR . . . .
H23C H 0.552442 -0.087692 0.690215 0.038 Uiso 1 1 calc GR . . . .
C24 C 0.6774(4) 0.7305(2) 0.6993(2) 0.0238(5) Uani 1 1 d . . . . .
H24A H 0.736270 0.785984 0.698744 0.036 Uiso 1 1 calc GR . . . .
H24B H 0.715761 0.736345 0.765849 0.036 Uiso 1 1 calc GR . . . .
H24C H 0.557922 0.731996 0.681032 0.036 Uiso 1 1 calc GR . . . .
C25 C 0.6020(3) 0.4959(2) 0.3532(2) 0.0224(5) Uani 1 1 d . . . . .
H25A H 0.495552 0.451439 0.324412 0.034 Uiso 1 1 calc GR . . . .
H25B H 0.680255 0.461758 0.318800 0.034 Uiso 1 1 calc GR . . . .
H25C H 0.585539 0.555704 0.345877 0.034 Uiso 1 1 calc GR . . . .
C26 C 0.5653(3) 0.20154(19) 0.90774(19) 0.0174(5) Uani 1 1 d . . . . .
C27 C 0.5558(3) 0.09966(19) 0.89210(19) 0.0172(5) Uani 1 1 d . . . . .
C28 C 0.7181(3) 0.08277(19) 0.92370(19) 0.0169(5) Uani 1 1 d . . . . .
C29 C 0.8328(3) 0.17404(19) 0.96266(18) 0.0164(4) Uani 1 1 d . . . . .
C30 C 0.7368(3) 0.24749(19) 0.95659(19) 0.0171(5) Uani 1 1 d . . . . .
C31 C 0.4177(3) 0.2514(2) 0.8943(2) 0.0259(6) Uani 1 1 d . . . . .
H31A H 0.450930 0.312764 0.893650 0.039 Uiso 1 1 calc GR . . . .
H31B H 0.371913 0.267179 0.949202 0.039 Uiso 1 1 calc GR . . . .
H31C H 0.333247 0.206823 0.831328 0.039 Uiso 1 1 calc GR . . . .
C32 C 0.3972(3) 0.0308(2) 0.8561(2) 0.0282(6) Uani 1 1 d . . . . .
H32A H 0.322508 0.031730 0.797609 0.042 Uiso 1 1 calc GR . . . .
H32B H 0.344522 0.052327 0.908673 0.042 Uiso 1 1 calc GR . . . .
H32C H 0.420540 -0.036796 0.838320 0.042 Uiso 1 1 calc GR . . . .
C33 C 0.7701(3) -0.0097(2) 0.9258(2) 0.0232(5) Uani 1 1 d . . . . .
H33A H 0.676014 -0.064270 0.886965 0.035 Uiso 1 1 calc GR . . . .
H33B H 0.807060 0.002027 0.994601 0.035 Uiso 1 1 calc GR . . . .
H33C H 0.861394 -0.027256 0.897260 0.035 Uiso 1 1 calc GR . . . .
C34 C 1.0172(3) 0.1881(2) 1.0090(2) 0.0206(5) Uani 1 1 d . . . . .
H34A H 1.062668 0.133810 0.964677 0.031 Uiso 1 1 calc GR . . . .
H34B H 1.040301 0.187866 1.072779 0.031 Uiso 1 1 calc GR . . . .
H34C H 1.068866 0.251667 1.019635 0.031 Uiso 1 1 calc GR . . . .
C35 C 0.8008(4) 0.3549(2) 0.9980(2) 0.0255(6) Uani 1 1 d . . . . .
H35A H 0.909021 0.361988 0.988531 0.038 Uiso 1 1 calc GR . . . .
H35B H 0.812575 0.389712 1.069040 0.038 Uiso 1 1 calc GR . . . .
H35C H 0.722784 0.383552 0.963642 0.038 Uiso 1 1 calc GR . . . .
N22 N 0.5685(4) 0.5288(2) 0.1533(2) 0.0384(6) Uani 1 1 d . . . . .
C38 C 0.2557(4) 0.4608(2) 0.0992(3) 0.0341(7) Uani 1 1 d . . . . .
H38A H 0.210672 0.426620 0.026642 0.051 Uiso 1 1 calc GR . . . .
H38B H 0.196609 0.516314 0.126833 0.051 Uiso 1 1 calc GR . . . .
H38C H 0.241620 0.414108 0.124352 0.051 Uiso 1 1 calc GR . . . .
C39 C 0.4318(4) 0.4985(2) 0.1289(2) 0.0289(6) Uani 1 1 d . . . . .
N21 N 0.4679(5) 0.2487(3) 1.1141(3) 0.0584(10) Uani 1 1 d . . . . .
C36 C 0.7740(5) 0.2354(3) 1.1841(3) 0.0445(9) Uani 1 1 d . . . . .
H36A H 0.790590 0.166146 1.150586 0.067 Uiso 1 1 calc GR . . . .
H36B H 0.800259 0.258030 1.255441 0.067 Uiso 1 1 calc GR . . . .
H36C H 0.846938 0.277108 1.173137 0.067 Uiso 1 1 calc GR . . . .
C37 C 0.6010(5) 0.2428(3) 1.1439(2) 0.0402(8) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 Ir1 I1 87.65(7) . . ?
C14 Ir1 C26 111.51(9) . . ?
C14 Ir1 C27 150.04(10) . . ?
C14 Ir1 C28 147.96(9) . . ?
C14 Ir1 C29 110.29(9) . . ?
C14 Ir1 C30 93.14(9) . . ?
C19 Ir1 I1 93.17(7) . . ?
C19 Ir1 C14 85.88(9) . . ?
C19 Ir1 C26 102.68(9) . . ?
C19 Ir1 C27 99.14(9) . . ?
C19 Ir1 C28 126.03(9) . . ?
C19 Ir1 C29 161.65(9) . . ?
C19 Ir1 C30 137.02(9) . . ?
C26 Ir1 I1 155.70(6) . . ?
C26 Ir1 C27 38.54(9) . . ?
C26 Ir1 C28 63.03(9) . . ?
C26 Ir1 C29 63.97(9) . . ?
C26 Ir1 C30 38.58(9) . . ?
C27 Ir1 I1 121.24(7) . . ?
C27 Ir1 C28 36.17(8) . . ?
C28 Ir1 I1 92.76(6) . . ?
C29 Ir1 I1 96.03(6) . . ?
C29 Ir1 C27 62.53(9) . . ?
C29 Ir1 C28 37.80(9) . . ?
C30 Ir1 I1 129.77(6) . . ?
C30 Ir1 C27 63.12(9) . . ?
C30 Ir1 C28 62.47(9) . . ?
C30 Ir1 C29 37.43(9) . . ?
C2 N1 C6 127.1(2) . . ?
C2 N1 C24 115.3(2) . . ?
C6 N1 C24 117.6(2) . . ?
C2 N3 C25 119.6(2) . . ?
C4 N3 C2 119.3(2) . . ?
C4 N3 C25 121.0(2) . . ?
C5 N7 C10 126.7(2) . . ?
C8 N7 C5 105.1(2) . . ?
C8 N7 C10 128.2(2) . . ?
C8 N9 C4 103.1(2) . . ?
C19 N18 C17 124.0(2) . . ?
C19 N18 C22 111.3(2) . . ?
C22 N18 C17 124.7(2) . . ?
C19 N20 C21 111.1(2) . . ?
C19 N20 C23 126.0(2) . . ?
C21 N20 C23 122.9(2) . . ?
O1 C2 N1 121.5(2) . . ?
O1 C2 N3 121.3(2) . . ?
N3 C2 N1 117.2(2) . . ?
N9 C4 N3 125.7(2) . . ?
N9 C4 C5 112.4(2) . . ?
C5 C4 N3 121.9(2) . . ?
N7 C5 C6 131.1(2) . . ?
C4 C5 N7 105.4(2) . . ?
C4 C5 C6 123.5(2) . . ?
O2 C6 N1 121.7(2) . . ?
O2 C6 C5 127.4(2) . . ?
N1 C6 C5 111.0(2) . . ?
N7 C8 I2 124.91(18) . . ?
N9 C8 I2 121.08(19) . . ?
N9 C8 N7 114.0(2) . . ?
N7 C10 C11 114.9(2) . . ?
C12 C11 C10 117.4(2) . . ?
C16 C11 C10 124.0(2) . . ?
C16 C11 C12 118.6(2) . . ?
C13 C12 C11 120.7(2) . . ?
C12 C13 C14 122.2(2) . . ?
C13 C14 Ir1 118.95(17) . . ?
C15 C14 Ir1 124.97(17) . . ?
C15 C14 C13 116.1(2) . . ?
C14 C15 C16 121.8(2) . . ?
C14 C15 C17 119.7(2) . . ?
C16 C15 C17 118.4(2) . . ?
C11 C16 C15 120.5(2) . . ?
N18 C17 C15 112.05(19) . . ?
N18 C19 Ir1 125.33(17) . . ?
N18 C19 N20 104.3(2) . . ?
N20 C19 Ir1 130.30(17) . . ?
C22 C21 N20 106.6(2) . . ?
C21 C22 N18 106.7(2) . . ?
C27 C26 Ir1 74.42(14) . . ?
C27 C26 C31 124.0(2) . . ?
C30 C26 Ir1 72.54(14) . . ?
C30 C26 C27 107.2(2) . . ?
C30 C26 C31 127.6(2) . . ?
C31 C26 Ir1 128.38(18) . . ?
C26 C27 Ir1 67.05(13) . . ?
C26 C27 C32 124.2(2) . . ?
C28 C27 Ir1 72.52(14) . . ?
C28 C27 C26 107.9(2) . . ?
C28 C27 C32 127.7(2) . . ?
C32 C27 Ir1 129.38(19) . . ?
C27 C28 Ir1 71.31(13) . . ?
C27 C28 C29 108.7(2) . . ?
C27 C28 C33 127.4(2) . . ?
C29 C28 Ir1 69.44(13) . . ?
C29 C28 C33 123.7(2) . . ?
C33 C28 Ir1 128.56(18) . . ?
C28 C29 Ir1 72.76(13) . . ?
C28 C29 C34 125.0(2) . . ?
C30 C29 Ir1 70.45(14) . . ?
C30 C29 C28 107.5(2) . . ?
C30 C29 C34 127.3(2) . . ?
C34 C29 Ir1 126.41(17) . . ?
C26 C30 Ir1 68.89(14) . . ?
C26 C30 C35 125.5(2) . . ?
C29 C30 Ir1 72.11(14) . . ?
C29 C30 C26 108.4(2) . . ?
C29 C30 C35 126.0(2) . . ?
C35 C30 Ir1 127.01(18) . . ?
N22 C39 C38 178.9(4) . . ?
N21 C37 C36 179.1(4) . . ?
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
Ir1 I1 2.71925(18) . ?
Ir1 C14 2.056(2) . ?
Ir1 C19 2.009(2) . ?
Ir1 C26 2.156(2) . ?
Ir1 C27 2.255(2) . ?
Ir1 C28 2.271(2) . ?
Ir1 C29 2.226(2) . ?
Ir1 C30 2.204(3) . ?
I2 C8 2.073(3) . ?
O1 C2 1.222(3) . ?
O2 C6 1.220(3) . ?
N1 C2 1.390(3) . ?
N1 C6 1.414(3) . ?
N1 C24 1.465(3) . ?
N3 C2 1.379(3) . ?
N3 C4 1.372(3) . ?
N3 C25 1.462(3) . ?
N7 C5 1.389(3) . ?
N7 C8 1.350(3) . ?
N7 C10 1.463(3) . ?
N9 C4 1.354(3) . ?
N9 C8 1.334(3) . ?
N18 C17 1.459(3) . ?
N18 C19 1.350(3) . ?
N18 C22 1.383(3) . ?
N20 C19 1.361(3) . ?
N20 C21 1.381(3) . ?
N20 C23 1.456(3) . ?
C4 C5 1.365(3) . ?
C5 C6 1.421(4) . ?
C10 C11 1.509(3) . ?
C11 C12 1.391(3) . ?
C11 C16 1.388(3) . ?
C12 C13 1.390(3) . ?
C13 C14 1.409(3) . ?
C14 C15 1.404(3) . ?
C15 C16 1.405(3) . ?
C15 C17 1.512(3) . ?
C21 C22 1.347(4) . ?
C26 C27 1.458(3) . ?
C26 C30 1.441(3) . ?
C26 C31 1.494(3) . ?
C27 C28 1.405(3) . ?
C27 C32 1.495(4) . ?
C28 C29 1.457(3) . ?
C28 C33 1.500(3) . ?
C29 C30 1.422(3) . ?
C29 C34 1.504(3) . ?
C30 C35 1.490(4) . ?
N22 C39 1.134(4) . ?
C38 C39 1.459(4) . ?
N21 C37 1.124(5) . ?
C36 C37 1.463(6) . ?
