#------------------------------------------------------------------------------
#$Date: 2020-04-06 01:17:37 +0300 (Mon, 06 Apr 2020) $
#$Revision: 250394 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/33/2243349.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_2243349
loop_
_publ_author_name
'M'hamedi, Ahmed'
'Batsanov, Andrei S.'
_publ_section_title
;
 Phosphorescent mono- and diiridium(III) complexes cyclometalated by
 fluorenyl- or phenyl-pyridino ligands with bulky substituents, as
 prospective OLED dopants
;
_journal_coeditor_code           HB7885
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              392
_journal_page_last               399
_journal_paper_doi               10.1107/S2056989020001784
_journal_volume                  76
_journal_year                    2020
_chemical_formula_iupac          '[Ir2 (C30 H35 F N)4 Cl2], 0.3C5 H12'
_chemical_formula_moiety         'C120 H140 Cl2 F4 Ir2 N4, 0.3(C5 H12)'
_chemical_formula_sum            'C121.5 H143.6 Cl2 F4 Ir2 N4'
_chemical_formula_weight         2191.30
_chemical_name_systematic
'Di-μ₂-chlorido-bis{bis[2-(5-fluoropyridin-2-yl)-9,9-dihexyl-9H-fluoren-3-yl]iridium} pentane 0.3-solvate'
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                105.119(2)
_cell_angle_beta                 93.787(2)
_cell_angle_gamma                90.779(2)
_cell_formula_units_Z            2
_cell_length_a                   12.2744(7)
_cell_length_b                   17.6132(10)
_cell_length_c                   25.3966(15)
_cell_measurement_reflns_used    5349
_cell_measurement_temperature    120
_cell_measurement_theta_max      25.25
_cell_measurement_theta_min      2.26
_cell_volume                     5286.2(5)
_computing_cell_refinement
;
SMART (Bruker, 2001)
;
_computing_data_collection
;
SMART (Bruker, 2001)
;
_computing_data_reduction
;
SAINT  (Bruker, 2001)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_structure_refinement
;
ShelXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
ShelXS (Sheldrick, 2008)
;
_diffrn_ambient_temperature      120
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 5.6
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART CCD 6000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0648
_diffrn_reflns_av_unetI/netI     0.0840
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            48264
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.198
_diffrn_source                   'sealed X-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.623
_exptl_absorpt_correction_T_max  0.9272
_exptl_absorpt_correction_T_min  0.7345
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
(SADABS; Krause et al.,  2015)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.377
_exptl_crystal_description       block
_exptl_crystal_F_000             2249
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.391
_refine_diff_density_min         -0.763
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1342
_refine_ls_number_reflns         18623
_refine_ls_number_restraints     2905
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0807
_refine_ls_R_factor_gt           0.0409
_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)+(0.0472P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.1029
_reflns_number_gt                12096
_reflns_number_total             18623
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            hb7885sup1.cif
_cod_data_source_block           II
_cod_database_code               2243349
_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.
;
loop_
_space_group_symop_operation_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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir Ir1 0.64404(2) 0.36376(2) 0.19910(2) 0.03102(8) Uani d 1 . .
Ir Ir2 0.54578(2) 0.24992(2) 0.29310(2) 0.03270(8) Uani d 1 . .
Cl Cl1 0.66078(13) 0.36958(9) 0.29922(6) 0.0346(4) Uani d 1 . .
Cl Cl2 0.54538(13) 0.23529(9) 0.19162(6) 0.0365(4) Uani d 1 . .
F F1 0.2878(3) 0.4982(2) 0.31979(15) 0.0502(10) Uani d 1 . .
F F2 0.8500(4) 0.0463(3) 0.21338(17) 0.0788(15) Uani d 1 . .
F F3 0.2160(3) 0.4031(2) 0.16942(16) 0.0569(11) Uani d 1 . .
F F4 0.9910(4) 0.2071(3) 0.24544(18) 0.0780(15) Uani d 1 . .
N N1 0.4023(4) 0.3079(3) 0.29679(19) 0.0318(12) Uani d 1 . .
N N2 0.6790(4) 0.1836(3) 0.2967(2) 0.0368(13) Uani d 1 . .
N N3 0.5051(4) 0.4258(3) 0.20334(18) 0.0293(11) Uani d 1 . .
N N4 0.7826(4) 0.3022(3) 0.1836(2) 0.0381(13) Uani d 1 . .
C C1 0.4431(5) 0.1584(4) 0.2827(3) 0.0372(15) Uani d 1 . .
C C2 0.4671(5) 0.0790(4) 0.2742(2) 0.0361(14) Uani d 1 . .
H H2 0.541059 0.063919 0.275666 0.043 Uiso calc 1 . .
C C3 0.3836(5) 0.0219(4) 0.2637(2) 0.0344(14) Uani d 1 . .
C C4 0.2739(5) 0.0420(4) 0.2615(3) 0.0373(14) Uani d 1 . .
C C5 0.2476(5) 0.1200(4) 0.2713(3) 0.0414(16) Uani d 1 . .
H H5 0.173341 0.134399 0.270668 0.050 Uiso calc 1 . .
C C6 0.3312(5) 0.1777(4) 0.2822(3) 0.0396(15) Uani d 1 . .
C C7 0.3116(5) 0.2606(4) 0.2912(3) 0.0396(15) Uani d 1 . .
C C8 0.2095(6) 0.2952(4) 0.2956(3) 0.0517(19) Uani d 1 . .
H H8 0.145714 0.262595 0.292166 0.062 Uiso calc 1 . .
C C9 0.1989(6) 0.3752(4) 0.3049(3) 0.0533(19) Uani d 1 . .
H H9 0.129545 0.398611 0.307147 0.064 Uiso calc 1 . .
C C10 0.2929(6) 0.4186(4) 0.3106(3) 0.0413(15) Uani d 1 . .
C C11 0.3940(5) 0.3859(4) 0.3079(2) 0.0345(14) Uani d 1 . .
H H11 0.458001 0.418823 0.314023 0.041 Uiso calc 1 . .
C C12 0.3874(5) -0.0641(4) 0.2533(2) 0.0374(14) Uani d 1 . .
C C13 0.4752(5) -0.1121(4) 0.2537(2) 0.0392(15) Uani d 1 . .
H H13 0.547919 -0.090953 0.259368 0.047 Uiso calc 1 . .
C C14 0.4542(6) -0.1921(4) 0.2454(3) 0.0469(17) Uani d 1 . .
H H14 0.513275 -0.226119 0.246359 0.056 Uiso calc 1 . .
C C15 0.3487(6) -0.2227(4) 0.2359(3) 0.0477(17) Uani d 1 . .
H H15 0.335952 -0.277579 0.230407 0.057 Uiso calc 1 . .
C C16 0.2621(6) -0.1752(4) 0.2341(3) 0.0486(18) Uani d 1 . .
H H16 0.189630 -0.196769 0.226386 0.058 Uiso calc 1 . .
C C17 0.2820(6) -0.0953(4) 0.2437(3) 0.0392(15) Uani d 1 . .
C C19 0.5649(5) 0.2663(4) 0.3739(2) 0.0361(15) Uani d 1 . .
C C20 0.5102(5) 0.3175(4) 0.4140(2) 0.0386(15) Uani d 1 . .
H H20 0.452150 0.346860 0.403475 0.046 Uiso calc 1 . .
C C21 0.5386(6) 0.3266(4) 0.4686(3) 0.0422(16) Uani d 1 . .
C C22 0.6223(6) 0.2841(4) 0.4854(3) 0.0506(18) Uani d 1 . .
C C23 0.6810(6) 0.2344(4) 0.4468(3) 0.054(2) Uani d 1 . .
H H23 0.739510 0.205897 0.457842 0.065 Uiso calc 1 . .
C C24 0.6537(6) 0.2267(4) 0.3920(3) 0.0466(18) Uani d 1 . .
C C25 0.7125(6) 0.1782(4) 0.3477(3) 0.0504(19) Uani d 1 . .
C C26 0.7959(7) 0.1282(5) 0.3542(3) 0.079(3) Uani d 1 . .
H H26 0.820772 0.125245 0.389775 0.095 Uiso calc 1 . .
C C27 0.8427(7) 0.0828(6) 0.3091(3) 0.081(3) Uani d 1 . .
H H27 0.898635 0.047501 0.313146 0.097 Uiso calc 1 . .
C C28 0.8065(6) 0.0897(5) 0.2580(3) 0.061(2) Uani d 1 . .
C C29 0.7246(5) 0.1386(4) 0.2518(3) 0.0452(17) Uani d 1 . .
H H29 0.699135 0.141554 0.216303 0.054 Uiso calc 1 . .
C C30 0.4935(6) 0.3753(4) 0.5176(3) 0.0455(16) Uani d 1 . .
C C31 0.4090(6) 0.4299(4) 0.5229(3) 0.0469(17) Uani d 1 . .
H H31 0.373580 0.442106 0.491830 0.056 Uiso calc 1 . .
C C32 0.3800(6) 0.4650(4) 0.5753(3) 0.0509(18) Uani d 1 . .
H H32 0.324773 0.503000 0.580377 0.061 Uiso calc 1 . .
C C33 0.4295(6) 0.4461(4) 0.6200(3) 0.0523(18) Uani d 1 . .
H H33 0.404521 0.468694 0.655171 0.063 Uiso calc 1 . .
C C34 0.5137(6) 0.3955(4) 0.6152(3) 0.0532(19) Uani d 1 . .
H H34 0.548834 0.384743 0.646842 0.064 Uiso calc 1 . .
C C35 0.5477(6) 0.3597(4) 0.5634(3) 0.0516(18) Uani d 1 . .
C C36 0.6384(7) 0.3026(4) 0.5477(3) 0.0606(19) Uani d 1 . .
C C37 0.7103(5) 0.4728(4) 0.2191(2) 0.0333(14) Uani d 1 . .
C C38 0.8207(5) 0.4959(4) 0.2298(2) 0.0333(14) Uani d 1 . .
H H38 0.875149 0.457545 0.221596 0.040 Uiso calc 1 . .
C C39 0.8513(5) 0.5744(4) 0.2522(2) 0.0321(13) Uani d 1 . .
C C40 0.7728(5) 0.6323(4) 0.2649(2) 0.0356(14) Uani d 1 . .
C C41 0.6632(5) 0.6111(4) 0.2538(2) 0.0353(14) Uani d 1 . .
H H41 0.609309 0.649774 0.262333 0.042 Uiso calc 1 . .
C C42 0.6322(5) 0.5325(4) 0.2301(2) 0.0323(13) Uani d 1 . .
C C43 0.5184(5) 0.5046(4) 0.2168(2) 0.0326(14) Uani d 1 . .
C C44 0.4306(5) 0.5511(4) 0.2123(3) 0.0402(16) Uani d 1 . .
H H44 0.441343 0.606625 0.220849 0.048 Uiso calc 1 . .
C C45 0.3274(5) 0.5182(4) 0.1955(3) 0.0457(17) Uani d 1 . .
H H45 0.266492 0.549695 0.192006 0.055 Uiso calc 1 . .
C C46 0.3170(5) 0.4387(4) 0.1842(3) 0.0425(15) Uani d 1 . .
C C47 0.4038(5) 0.3922(4) 0.1874(2) 0.0388(15) Uani d 1 . .
H H47 0.393614 0.336660 0.178452 0.047 Uiso calc 1 . .
C C48 0.9588(5) 0.6130(4) 0.2682(2) 0.0326(13) Uani d 1 . .
C C49 1.0619(5) 0.5829(4) 0.2650(3) 0.0369(15) Uani d 1 . .
H H49 1.071729 0.528367 0.249895 0.044 Uiso calc 1 . .
C C50 1.1525(5) 0.6350(4) 0.2846(3) 0.0404(15) Uani d 1 . .
H H50 1.224306 0.615586 0.282469 0.049 Uiso calc 1 . .
C C51 1.1375(5) 0.7138(4) 0.3069(3) 0.0410(15) Uani d 1 . .
H H51 1.199287 0.748038 0.320514 0.049 Uiso calc 1 . .
C C52 1.0339(5) 0.7441(4) 0.3097(3) 0.0407(15) Uani d 1 . .
H H52 1.024465 0.798821 0.324577 0.049 Uiso calc 1 . .
C C53 0.9449(5) 0.6939(4) 0.2907(2) 0.0362(14) Uani d 1 . .
C C54 0.8250(5) 0.7124(4) 0.2907(3) 0.0436(15) Uani d 1 . .
C C55 0.6405(5) 0.3491(4) 0.1176(2) 0.0361(15) Uani d 1 . .
C C56 0.5656(5) 0.3785(4) 0.0855(2) 0.0379(15) Uani d 1 . .
H H56 0.512315 0.413985 0.101879 0.045 Uiso calc 1 . .
C C57 0.5692(5) 0.3556(4) 0.0291(2) 0.0402(16) Uani d 1 . .
C C58 0.6478(6) 0.3044(4) 0.0041(3) 0.0525(19) Uani d 1 . .
C C59 0.7243(6) 0.2768(4) 0.0354(3) 0.055(2) Uani d 1 . .
H H59 0.778854 0.242764 0.018764 0.066 Uiso calc 1 . .
C C60 0.7212(5) 0.2993(4) 0.0923(3) 0.0443(17) Uani d 1 . .
C C61 0.8003(6) 0.2740(4) 0.1290(3) 0.0457(17) Uani d 1 . .
C C62 0.8878(7) 0.2270(5) 0.1139(3) 0.071(3) Uani d 1 . .
H H62 0.901631 0.209550 0.076366 0.085 Uiso calc 1 . .
C C63 0.9553(7) 0.2049(5) 0.1521(3) 0.073(3) Uani d 1 . .
H H63 1.015383 0.172193 0.141843 0.088 Uiso calc 1 . .
C C64 0.9326(6) 0.2316(5) 0.2055(3) 0.059(2) Uani d 1 . .
C C65 0.8486(5) 0.2816(4) 0.2216(3) 0.0467(17) Uani d 1 . .
H H65 0.837442 0.301309 0.259316 0.056 Uiso calc 1 . .
C C66 0.4987(5) 0.3764(4) -0.0136(2) 0.0394(15) Uani d 1 . .
C C67 0.4109(5) 0.4254(4) -0.0093(3) 0.0417(16) Uani d 1 . .
H H67 0.387171 0.451617 0.025496 0.050 Uiso calc 1 . .
C C68 0.3576(6) 0.4355(4) -0.0573(3) 0.0474(17) Uani d 1 . .
H H68 0.297780 0.469478 -0.055589 0.057 Uiso calc 1 . .
C C69 0.3930(6) 0.3954(4) -0.1076(3) 0.0492(18) Uani d 1 . .
H H69 0.356125 0.402447 -0.139937 0.059 Uiso calc 1 . .
C C70 0.4781(6) 0.3465(4) -0.1121(3) 0.0498(18) Uani d 1 . .
H H70 0.499715 0.319041 -0.147062 0.060 Uiso calc 1 . .
C C71 0.5330(6) 0.3373(4) -0.0649(3) 0.0451(16) Uani d 1 . .
C C72 0.6298(6) 0.2863(4) -0.0584(3) 0.0574(18) Uani d 1 . .
C C82 0.0930(10) -0.0673(7) 0.4255(4) 0.116(4) Uani d 1 . .
H H82C 0.027750 -0.086675 0.439677 0.139 Uiso calc 0.67 A 1
H H82D 0.141652 -0.111889 0.413186 0.139 Uiso calc 0.67 A 1
H H82A 0.020250 -0.051112 0.414048 0.139 Uiso calc 0.33 B -1
H H82B 0.107566 -0.119647 0.401457 0.139 Uiso calc 0.33 B -1
C C85 0.7518(7) 0.3415(5) 0.5686(3) 0.072(2) Uani d 1 . .
H H85A 0.757472 0.352184 0.608996 0.087 Uiso calc 1 . .
H H85B 0.807278 0.302461 0.554753 0.087 Uiso calc 1 . .
C C86 0.7833(6) 0.4178(5) 0.5545(3) 0.065(2) Uani d 1 . .
H H86A 0.778654 0.408744 0.514209 0.079 Uiso calc 1 . .
H H86B 0.730941 0.458795 0.569434 0.079 Uiso calc 1 . .
C C87 0.8986(6) 0.4468(5) 0.5775(3) 0.076(2) Uani d 1 . .
H H87A 0.904995 0.449300 0.616978 0.091 Uiso calc 1 . .
H H87B 0.950903 0.407959 0.559371 0.091 Uiso calc 1 . .
C C88 0.9306(6) 0.5260(6) 0.5706(3) 0.080(3) Uani d 1 . .
H H88A 0.877039 0.564918 0.587337 0.096 Uiso calc 1 . .
H H88B 0.928573 0.523296 0.531089 0.096 Uiso calc 1 . .
C C89 1.0455(7) 0.5534(6) 0.5971(4) 0.094(3) Uani d 1 . .
H H89A 1.048696 0.551810 0.635832 0.113 Uiso calc 1 . .
H H89B 1.099215 0.516193 0.578413 0.113 Uiso calc 1 . .
C C90 1.0773(8) 0.6353(7) 0.5946(4) 0.107(4) Uani d 1 . .
H H90A 1.071429 0.638003 0.556411 0.161 Uiso calc 1 . .
H H90B 1.152732 0.648095 0.609869 0.161 Uiso calc 1 . .
H H90C 1.028379 0.673165 0.615750 0.161 Uiso calc 1 . .
C C91 0.6265(8) 0.2301(5) 0.5705(3) 0.082(3) Uani d 1 . .
H H91A 0.686897 0.194476 0.558293 0.098 Uiso calc 1 . .
H H91B 0.634704 0.247767 0.610900 0.098 Uiso calc 1 . .
C C92 0.5211(8) 0.1849(5) 0.5537(4) 0.088(3) Uani d 1 . .
H H92A 0.522596 0.157612 0.514382 0.105 Uiso calc 0.5 C 1
H H92B 0.462821 0.223804 0.556654 0.105 Uiso calc 0.5 C 1
H H92C 0.508664 0.166734 0.513390 0.105 Uiso calc 0.5 D 2
H H92D 0.458686 0.216306 0.568849 0.105 Uiso calc 0.5 D 2
C C97 0.7927(6) 0.7465(4) 0.3500(3) 0.062(2) Uani d 1 . .
H H97A 0.825250 0.800349 0.363692 0.075 Uiso calc 1 . .
H H97B 0.712328 0.751005 0.348991 0.075 Uiso calc 1 . .
C C98 0.8263(6) 0.7003(5) 0.3903(3) 0.068(2) Uani d 1 . .
H H98A 0.906902 0.698104 0.393534 0.081 Uiso calc 1 . .
H H98B 0.796198 0.645730 0.376632 0.081 Uiso calc 1 . .
C C99 0.7857(8) 0.7372(7) 0.4468(3) 0.111(4) Uani d 1 . .
H H99A 0.804330 0.794232 0.457215 0.133 Uiso calc 1 . .
H H99B 0.705112 0.730912 0.444528 0.133 Uiso calc 1 . .
C C100 0.8326(9) 0.7022(8) 0.4909(3) 0.126(5) Uani d 1 . .
H H10C 0.907227 0.684879 0.482090 0.151 Uiso calc 0.25 E 2
H H10D 0.787935 0.654701 0.490350 0.151 Uiso calc 0.25 E 2
H H10A 0.911814 0.715805 0.496234 0.151 Uiso calc 0.75 F 1
H H10B 0.825266 0.644221 0.476801 0.151 Uiso calc 0.75 F 1
C C103 0.7993(6) 0.7717(4) 0.2570(3) 0.067(2) Uani d 1 . .
H H10E 0.719459 0.779000 0.255319 0.080 Uiso calc 1 . .
H H10F 0.834842 0.822967 0.276603 0.080 Uiso calc 1 . .
C C104 0.8352(8) 0.7492(5) 0.1991(3) 0.081(3) Uani d 1 . .
H H10G 0.795489 0.699281 0.179994 0.097 Uiso d 1 N .
H H10H 0.913409 0.736691 0.201994 0.097 Uiso d 1 . .
C C109 0.6047(7) 0.1989(4) -0.0844(3) 0.069(2) Uani d 1 . .
H H10I 0.597821 0.190047 -0.124604 0.082 Uiso calc 1 . .
H H10J 0.667859 0.168997 -0.075397 0.082 Uiso calc 1 . .
C C110 0.5023(8) 0.1651(4) -0.0672(3) 0.078(3) Uani d 1 . .
H H11A 0.439683 0.195456 -0.076171 0.094 Uiso calc 0.6 G 1
H H11B 0.509556 0.174610 -0.026970 0.094 Uiso calc 0.6 G 1
H H11C 0.435461 0.183672 -0.083310 0.094 Uiso calc 0.4 H 2
H H11D 0.500549 0.179057 -0.026943 0.094 Uiso calc 0.4 H 2
C C115 0.7326(6) 0.3095(5) -0.0835(3) 0.068(2) Uani d 1 . .
H H11E 0.794181 0.278972 -0.073624 0.081 Uiso calc 1 . .
H H11F 0.719449 0.292812 -0.123838 0.081 Uiso calc 1 . .
C C116 0.7680(6) 0.3947(5) -0.0675(3) 0.072(2) Uani d 1 . .
H H11G 0.775317 0.415974 -0.027245 0.086 Uiso calc 0.6 I 1
H H11H 0.716173 0.426711 -0.083429 0.086 Uiso calc 0.6 I 1
H H11I 0.776472 0.410602 -0.027028 0.086 Uiso calc 0.4 J 2
H H11J 0.705369 0.423726 -0.078153 0.086 Uiso calc 0.4 J 2
C C18 0.1972(7) -0.0316(5) 0.2410(4) 0.032(2) Uani d 0.67 K 1
C C73 0.1407(9) -0.0413(7) 0.1833(4) 0.046(3) Uani d 0.67 K 1
H H73A 0.110500 -0.095873 0.169647 0.055 Uiso calc 0.67 K 1
H H73B 0.078472 -0.005603 0.186409 0.055 Uiso calc 0.67 K 1
C C74 0.2141(10) -0.0245(7) 0.1410(4) 0.063(3) Uani d 0.67 K 1
H H74A 0.196198 -0.062957 0.105268 0.075 Uiso calc 0.67 K 1
H H74B 0.291419 -0.030717 0.152489 0.075 Uiso calc 0.67 K 1
C C75A 0.1979(11) 0.0630(8) 0.1348(6) 0.078(4) Uani d 0.67 K 1
H H75A 0.192894 0.098528 0.171807 0.093 Uiso calc 0.67 K 1
H H75B 0.126896 0.063752 0.114093 0.093 Uiso calc 0.67 K 1
C C76 0.2902(13) 0.0991(8) 0.1053(6) 0.091(4) Uani d 0.67 K 1
H H76A 0.361282 0.102279 0.126724 0.109 Uiso calc 0.67 K 1
H H76B 0.297749 0.064005 0.068421 0.109 Uiso calc 0.67 K 1
C C77 0.2610(13) 0.1803(8) 0.1004(6) 0.093(5) Uani d 0.67 K 1
H H77A 0.260904 0.216387 0.137566 0.112 Uiso calc 0.67 K 1
H H77B 0.186135 0.177800 0.082838 0.112 Uiso calc 0.67 K 1
C C78 0.3393(13) 0.2139(10) 0.0675(6) 0.099(6) Uani d 0.67 K 1
H H78A 0.316268 0.266339 0.065725 0.148 Uiso calc 0.67 K 1
H H78B 0.413315 0.217826 0.085110 0.148 Uiso calc 0.67 K 1
H H78C 0.338498 0.179215 0.030347 0.148 Uiso calc 0.67 K 1
C C79 0.1089(7) -0.0342(6) 0.2806(3) 0.031(2) Uani d 0.67 K 1
H H79A 0.061246 -0.081563 0.264753 0.037 Uiso calc 0.67 K 1
H H79B 0.063206 0.012301 0.283291 0.037 Uiso calc 0.67 K 1
C C80 0.1507(8) -0.0358(7) 0.3389(4) 0.044(3) Uani d 0.67 K 1
H H80A 0.189702 -0.085112 0.337086 0.052 Uiso calc 0.67 K 1
H H80B 0.203617 0.008758 0.353973 0.052 Uiso calc 0.67 K 1
C C81 0.0589(9) -0.0303(8) 0.3774(4) 0.070(4) Uani d 0.67 K 1
H H81A -0.007525 -0.058240 0.356789 0.084 Uiso calc 0.67 K 1
H H81B 0.041511 0.025594 0.392399 0.084 Uiso calc 0.67 K 1
C C83 0.1498(15) -0.0046(9) 0.4675(6) 0.112(6) Uani d 0.67 K 1
H H83A 0.104971 0.042356 0.479226 0.134 Uiso calc 0.67 K 1
H H83B 0.221265 0.010699 0.456761 0.134 Uiso calc 0.67 K 1
C C84 0.1615(19) -0.0535(17) 0.5115(9) 0.230(13) Uani d 0.67 K 1
H H84A 0.199547 -0.021065 0.545126 0.345 Uiso calc 0.67 K 1
H H84B 0.088734 -0.069302 0.519359 0.345 Uiso calc 0.67 K 1
H H84C 0.203336 -0.100498 0.497221 0.345 Uiso calc 0.67 K 1
C C93 0.4825(12) 0.1203(8) 0.5840(6) 0.084(4) Uiso d 0.67 L 1
H H93A 0.473968 0.147361 0.622845 0.101 Uiso calc 0.67 L 1
H H93B 0.409658 0.098578 0.567413 0.101 Uiso calc 0.67 L 1
C C94 0.5575(13) 0.0529(9) 0.5820(8) 0.120(5) Uiso d 0.67 L 1
H H94A 0.619080 0.069783 0.610031 0.144 Uiso calc 0.67 L 1
H H94B 0.587816 0.037092 0.545700 0.144 Uiso calc 0.67 L 1
C C95 0.4949(12) -0.0186(8) 0.5925(7) 0.096(4) Uiso d 0.67 L 1
H H95A 0.468081 -0.005052 0.629582 0.115 Uiso calc 0.67 L 1
H H95B 0.431870 -0.035707 0.565290 0.115 Uiso calc 0.67 L 1
C C96 0.5779(12) -0.0827(9) 0.5867(7) 0.110(5) Uiso d 0.67 L 1
H H96A 0.614493 -0.087680 0.552877 0.164 Uiso calc 0.67 L 1
H H96B 0.540716 -0.132809 0.585495 0.164 Uiso calc 0.67 L 1
H H96C 0.632181 -0.069131 0.618038 0.164 Uiso calc 0.67 L 1
C C101 0.7860(13) 0.7246(9) 0.5482(5) 0.115(5) Uani d 0.75 M 1
H H10K 0.705661 0.728350 0.544291 0.139 Uiso calc 0.75 M 1
H H10L 0.803316 0.683814 0.567665 0.139 Uiso calc 0.75 M 1
C C102 0.8367(15) 0.8019(8) 0.5797(5) 0.139(7) Uani d 0.75 M 1
H H10M 0.808271 0.817139 0.616031 0.208 Uiso calc 0.75 M 1
H H10N 0.916130 0.797571 0.583533 0.208 Uiso calc 0.75 M 1
H H10O 0.818814 0.841951 0.560240 0.208 Uiso calc 0.75 M 1
C C105 0.794(3) 0.8133(17) 0.1725(10) 0.111(7) Uani d 0.67 N 1
H H10P 0.713450 0.816360 0.173865 0.134 Uiso calc 0.67 N 1
H H10Q 0.826954 0.864942 0.192949 0.134 Uiso calc 0.67 N 1
C C106 0.8227(18) 0.7950(13) 0.1140(8) 0.143(7) Uiso d 0.67 N 1
H H10R 0.750720 0.788176 0.093022 0.171 Uiso calc 0.67 N 1
H H10S 0.853620 0.845663 0.110720 0.171 Uiso calc 0.67 N 1
C C107 0.890(2) 0.7356(15) 0.0790(10) 0.230(12) Uiso d 0.67 N 1
H H10T 0.867467 0.683541 0.083316 0.276 Uiso calc 0.67 N 1
H H10U 0.966718 0.745944 0.094436 0.276 Uiso calc 0.67 N 1
C C108 0.890(2) 0.7282(15) 0.0180(9) 0.203(10) Uiso d 0.67 N 1
H H10V 0.938834 0.686372 0.001511 0.305 Uiso calc 0.67 N 1
H H10W 0.815853 0.715352 0.001040 0.305 Uiso calc 0.67 N 1
H H10X 0.915748 0.778160 0.012233 0.305 Uiso calc 0.67 N 1
C C111 0.4737(16) 0.0780(7) -0.0919(9) 0.059(5) Uani d 0.6 O 1
H H11K 0.530236 0.048138 -0.076999 0.071 Uiso calc 0.6 O 1
H H11L 0.482060 0.066949 -0.131667 0.071 Uiso calc 0.6 O 1
C C112 0.3628(13) 0.0421(8) -0.0852(7) 0.071(4) Uani d 0.6 O 1
H H11M 0.346641 0.062715 -0.046504 0.086 Uiso calc 0.6 O 1
H H11N 0.307286 0.062984 -0.107385 0.086 Uiso calc 0.6 O 1
C C113 0.345(2) -0.0456(9) -0.0997(7) 0.081(6) Uani d 0.6 O 1
H H11O 0.380021 -0.069343 -0.133956 0.098 Uiso calc 0.6 O 1
H H11P 0.265705 -0.058441 -0.106427 0.098 Uiso calc 0.6 O 1
C C114 0.3912(18) -0.0812(11) -0.0551(6) 0.085(5) Uani d 0.6 O 1
H H11Q 0.378859 -0.138391 -0.066555 0.128 Uiso calc 0.6 O 1
H H11R 0.354792 -0.059350 -0.021462 0.128 Uiso calc 0.6 O 1
H H11S 0.469777 -0.068785 -0.048369 0.128 Uiso calc 0.6 O 1
C C117 0.8800(12) 0.3923(9) -0.0922(9) 0.064(5) Uani d 0.6 P 1
H H11T 0.930692 0.359371 -0.076474 0.077 Uiso calc 0.6 P 1
H H11U 0.871775 0.370432 -0.132406 0.077 Uiso calc 0.6 P 1
C C118 0.9217(11) 0.4759(9) -0.0777(8) 0.068(5) Uani d 0.6 P 1
H H11V 0.928766 0.496950 -0.037468 0.081 Uiso calc 0.6 P 1
H H11W 0.869132 0.508208 -0.092901 0.081 Uiso calc 0.6 P 1
C C119 1.0319(12) 0.4810(9) -0.1005(7) 0.081(5) Uani d 0.6 P 1
H H11X 1.025756 0.456671 -0.140440 0.097 Uiso calc 0.6 P 1
H H11Y 1.085543 0.451415 -0.083521 0.097 Uiso calc 0.6 P 1
C C120 1.0717(17) 0.5660(10) -0.0893(8) 0.088(5) Uani d 0.6 P 1
H H12A 1.033368 0.590737 -0.115241 0.132 Uiso calc 0.6 P 1
H H12B 1.150447 0.567901 -0.093412 0.132 Uiso calc 0.6 P 1
H H12C 1.057054 0.594365 -0.051892 0.132 Uiso calc 0.6 P 1
C C96B 0.422(3) -0.0451(19) 0.5954(18) 0.160(18) Uiso d 0.33 L 2
H H96D 0.385303 -0.077240 0.615511 0.240 Uiso calc 0.33 L 2
H H96E 0.422974 -0.074291 0.556922 0.240 Uiso calc 0.33 L 2
H H96F 0.497369 -0.032492 0.611182 0.240 Uiso calc 0.33 L 2
C C211 0.514(3) 0.0767(8) -0.0906(19) 0.080(11) Uani d 0.4 O 2
H H21A 0.501978 0.061528 -0.130926 0.096 Uiso calc 0.4 O 2
H H21B 0.587921 0.060241 -0.080354 0.096 Uiso calc 0.4 O 2
C C212 0.427(2) 0.0405(12) -0.0644(10) 0.074(6) Uani d 0.4 O 2
H H21C 0.448640 0.047594 -0.025221 0.089 Uiso calc 0.4 O 2
H H21D 0.357564 0.068251 -0.067001 0.089 Uiso calc 0.4 O 2
C C213 0.407(2) -0.0457(13) -0.0917(14) 0.091(10) Uani d 0.4 O 2
H H21E 0.473320 -0.074643 -0.085155 0.109 Uiso calc 0.4 O 2
H H21F 0.393822 -0.053597 -0.131616 0.109 Uiso calc 0.4 O 2
C C214 0.310(2) -0.0784(18) -0.0695(13) 0.098(9) Uani d 0.4 O 2
H H21G 0.242674 -0.070843 -0.090358 0.147 Uiso calc 0.4 O 2
H H21H 0.305539 -0.050746 -0.030895 0.147 Uiso calc 0.4 O 2
H H21I 0.318638 -0.134704 -0.073020 0.147 Uiso calc 0.4 O 2
C C93B 0.539(2) 0.1162(14) 0.5789(13) 0.084(4) Uiso d 0.33 L 2
H H93C 0.560997 0.134687 0.618558 0.101 Uiso calc 0.33 L 2
H H93D 0.595574 0.081073 0.560567 0.101 Uiso calc 0.33 L 2
C C94B 0.424(2) 0.0746(19) 0.5681(14) 0.120(5) Uiso d 0.33 L 2
H H94C 0.373085 0.116767 0.564848 0.144 Uiso calc 0.33 L 2
H H94D 0.423957 0.039076 0.530810 0.144 Uiso calc 0.33 L 2
C C95B 0.364(2) 0.0278(17) 0.5994(12) 0.096(4) Uiso d 0.33 L 2
H H95C 0.362354 0.057840 0.638175 0.115 Uiso calc 0.33 L 2
H H95D 0.287637 0.015861 0.583680 0.115 Uiso calc 0.33 L 2
C C201 0.839(3) 0.756(2) 0.5486(10) 0.115(5) Uani d 0.25 M 2
H H20A 0.838947 0.725519 0.576122 0.139 Uiso calc 0.25 M 2
H H20B 0.905632 0.790656 0.555732 0.139 Uiso calc 0.25 M 2
C C202 0.741(3) 0.803(3) 0.5503(19) 0.100(14) Uiso d 0.25 M 2
H H20C 0.738816 0.839751 0.586583 0.150 Uiso calc 0.25 M 2
H H20D 0.741941 0.832647 0.522586 0.150 Uiso calc 0.25 M 2
H H20E 0.675690 0.767934 0.542843 0.150 Uiso calc 0.25 M 2
C C217 0.871(2) 0.4282(12) -0.0873(17) 0.070(8) Uani d 0.4 P 2
H H21J 0.934923 0.405642 -0.071781 0.084 Uiso calc 0.4 P 2
H H21K 0.868407 0.406015 -0.127453 0.084 Uiso calc 0.4 P 2
C C218 0.8967(16) 0.5165(12) -0.0766(12) 0.067(6) Uani d 0.4 P 2
H H21L 0.911211 0.537771 -0.036562 0.080 Uiso calc 0.4 P 2
H H21M 0.829395 0.540899 -0.087127 0.080 Uiso calc 0.4 P 2
C C219 0.9906(15) 0.5457(17) -0.1038(10) 0.080(6) Uani d 0.4 P 2
H H21N 0.972985 0.532488 -0.143852 0.096 Uiso calc 0.4 P 2
H H21O 0.998720 0.603649 -0.090289 0.096 Uiso calc 0.4 P 2
C C220 1.096(2) 0.510(2) -0.0923(12) 0.092(10) Uani d 0.4 P 2
H H22A 1.153503 0.527465 -0.111753 0.138 Uiso calc 0.4 P 2
H H22B 1.087759 0.452138 -0.104578 0.138 Uiso calc 0.4 P 2
H H22C 1.116432 0.525538 -0.052862 0.138 Uiso calc 0.4 P 2
C C205 0.831(6) 0.800(4) 0.159(3) 0.111(7) Uani d 0.33 N 3
H H20F 0.757340 0.789503 0.139110 0.134 Uiso calc 0.33 N 3
H H20G 0.830100 0.855351 0.181608 0.134 Uiso calc 0.33 N 3
C C206 0.909(4) 0.802(3) 0.1147(18) 0.143(7) Uiso d 0.33 N 3
H H20H 0.981569 0.801510 0.133730 0.171 Uiso calc 0.33 N 3
H H20I 0.897487 0.749500 0.089005 0.171 Uiso calc 0.33 N 3
C C207 0.929(5) 0.854(3) 0.078(2) 0.230(12) Uiso d 0.33 N 3
H H20J 0.860036 0.857961 0.055880 0.276 Uiso calc 0.33 N 3
H H20K 0.951809 0.907378 0.099785 0.276 Uiso calc 0.33 N 3
C C208 1.015(4) 0.821(3) 0.040(2) 0.203(10) Uiso d 0.33 N 3
H H20L 1.027096 0.854746 0.016332 0.305 Uiso calc 0.33 N 3
H H20M 1.082702 0.817222 0.062086 0.305 Uiso calc 0.33 N 3
H H20N 0.991105 0.767900 0.018266 0.305 Uiso calc 0.33 N 3
C C75B 0.062(2) -0.0416(17) 0.1128(9) 0.081(8) Uiso d 0.33 K -1
H H75C 0.003189 -0.080944 0.111364 0.098 Uiso calc 0.33 K -1
H H75D 0.030889 0.010929 0.125062 0.098 Uiso calc 0.33 K -1
C C78B 0.065(2) -0.0100(18) -0.0212(11) 0.099(10) Uiso d 0.33 K -1
H H78D 0.016386 -0.003936 -0.052037 0.148 Uiso calc 0.33 K -1
H H78E 0.092714 0.041892 0.000482 0.148 Uiso calc 0.33 K -1
H H78F 0.125829 -0.042704 -0.034972 0.148 Uiso calc 0.33 K -1
C C76B 0.093(2) -0.051(2) 0.0573(9) 0.105(11) Uiso d 0.33 K -1
H H76C 0.128418 -0.101906 0.045581 0.126 Uiso calc 0.33 K -1
H H76D 0.148233 -0.009165 0.058092 0.126 Uiso calc 0.33 K -1
C C77B 0.0030(18) -0.0478(15) 0.0134(9) 0.065(7) Uiso d 0.33 K -1
H H77C -0.024925 -0.101109 -0.006919 0.079 Uiso calc 0.33 K -1
H H77D -0.058388 -0.015627 0.028907 0.079 Uiso calc 0.33 K -1
C C73B 0.1165(18) -0.0344(15) 0.2154(9) 0.055(6) Uiso d 0.33 K -1
H H73C 0.075511 0.014831 0.223475 0.066 Uiso calc 0.33 K -1
H H73D 0.064392 -0.077379 0.216273 0.066 Uiso calc 0.33 K -1
C C74B 0.149(2) -0.049(2) 0.1570(9) 0.068(9) Uiso d 0.33 K -1
H H74C 0.176644 -0.103082 0.146082 0.081 Uiso calc 0.33 K -1
H H74D 0.210155 -0.012378 0.156911 0.081 Uiso calc 0.33 K -1
C C79B 0.1465(19) -0.0258(16) 0.3146(9) 0.044(7) Uiso d 0.33 K -1
H H79C 0.091717 0.015738 0.320414 0.053 Uiso calc 0.33 K -1
H H79D 0.106866 -0.076752 0.309955 0.053 Uiso calc 0.33 K -1
C C80B 0.224(2) -0.0111(19) 0.3657(10) 0.090(9) Uiso d 0.33 K -1
H H80C 0.265158 0.038685 0.368447 0.108 Uiso calc 0.33 K -1
H H80D 0.277646 -0.053432 0.358958 0.108 Uiso calc 0.33 K -1
C C81B 0.183(3) -0.006(2) 0.4223(12) 0.109(11) Uiso d 0.33 K -1
H H81C 0.154924 0.047647 0.436378 0.131 Uiso calc 0.33 K -1
H H81D 0.246982 -0.010687 0.447107 0.131 Uiso calc 0.33 K -1
C C18B 0.2000(13) -0.0277(9) 0.2614(8) 0.040(7) Uiso d 0.33 K -1
C C83B 0.097(5) -0.070(3) 0.4842(9) 0.220(17) Uani d 0.33 K -1
H H83C 0.173621 -0.065669 0.499617 0.264 Uiso calc 0.33 K -1
H H83D 0.056737 -0.025869 0.505862 0.264 Uiso calc 0.33 K -1
C C84B 0.046(2) -0.1468(19) 0.4873(11) 0.112(11) Uani d 0.33 K -1
H H84D 0.048349 -0.148942 0.525555 0.167 Uiso calc 0.33 K -1
H H84E -0.030222 -0.150926 0.472325 0.167 Uiso calc 0.33 K -1
H H84F 0.086362 -0.190624 0.466095 0.167 Uiso calc 0.33 K -1
C C1S 0.1557(19) 0.3347(15) 0.0220(10) 0.055(7) Uiso d 0.3 Q 2
H H1SA 0.183661 0.367368 -0.000338 0.083 Uiso calc 0.3 Q 2
H H1SB 0.101026 0.296424 -0.000072 0.083 Uiso calc 0.3 Q 2
H H1SC 0.122049 0.368267 0.053413 0.083 Uiso calc 0.3 Q 2
C C2S 0.250(2) 0.2911(17) 0.0423(12) 0.080(9) Uiso d 0.3 Q 2
H H2SA 0.284880 0.257675 0.010666 0.096 Uiso calc 0.3 Q 2
H H2SB 0.305946 0.329665 0.064261 0.096 Uiso calc 0.3 Q 2
C C3S 0.208(3) 0.240(2) 0.0769(15) 0.107(12) Uiso d 0.3 Q 2
H H3SA 0.142194 0.208400 0.058969 0.128 Uiso calc 0.3 Q 2
H H3SB 0.191658 0.272115 0.113744 0.128 Uiso calc 0.3 Q 2
C C4S 0.308(4) 0.189(3) 0.079(2) 0.13(2) Uiso d 0.3 Q 2
H H4SA 0.313263 0.146002 0.045551 0.155 Uiso calc 0.3 Q 2
H H4SB 0.378179 0.220241 0.088549 0.155 Uiso calc 0.3 Q 2
C C5S 0.268(4) 0.161(3) 0.1272(16) 0.112(15) Uiso d 0.3 Q 2
H H5SA 0.320485 0.125298 0.137508 0.167 Uiso calc 0.3 Q 2
H H5SB 0.260611 0.206706 0.158421 0.167 Uiso calc 0.3 Q 2
H H5SC 0.196782 0.133710 0.116143 0.167 Uiso calc 0.3 Q 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0.00 1.00 0.00 0.0200
0.00 -1.00 0.00 0.0200
0.00 0.00 1.00 0.0600
-1.00 0.00 0.00 0.0500
1.00 0.00 0.00 0.0500
0.00 1.00 -1.00 0.0300
2.00 3.00 -5.00 0.0500
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
Cl2 Ir1 Cl1 . . 83.11(5) y
N3 Ir1 Cl1 . . 94.59(13) y
N3 Ir1 Cl2 . . 94.04(15) y
N3 Ir1 N4 . . 171.84(19) y
N4 Ir1 Cl1 . . 93.53(15) y
N4 Ir1 Cl2 . . 87.70(15) y
C37 Ir1 Cl1 . . 87.52(17) y
C37 Ir1 Cl2 . . 168.90(17) y
C37 Ir1 N3 . . 80.7(2) y
C37 Ir1 N4 . . 98.9(2) y
C37 Ir1 C55 . . 95.6(2) y
C55 Ir1 Cl1 . . 173.97(18) y
C55 Ir1 Cl2 . . 94.28(19) y
C55 Ir1 N3 . . 91.0(2) y
C55 Ir1 N4 . . 80.9(2) y
Cl1 Ir2 Cl2 . . 83.39(5) y
N1 Ir2 Cl1 . . 94.21(15) y
N1 Ir2 Cl2 . . 91.21(14) y
N2 Ir2 Cl1 . . 92.18(16) y
N2 Ir2 Cl2 . . 94.92(14) y
N2 Ir2 N1 . . 171.6(2) y
C1 Ir2 Cl1 . . 173.83(18) y
C1 Ir2 Cl2 . . 92.49(18) y
C1 Ir2 N1 . . 81.3(2) y
C1 Ir2 N2 . . 92.7(2) y
C1 Ir2 C19 . . 93.4(3) y
C19 Ir2 Cl1 . . 91.01(19) y
C19 Ir2 Cl2 . . 173.02(19) y
C19 Ir2 N1 . . 93.3(2) y
C19 Ir2 N2 . . 81.1(2) y
Ir2 Cl1 Ir1 . . 96.88(5) y
Ir1 Cl2 Ir2 . . 96.04(5) y
C7 N1 Ir2 . . 114.3(4) ?
C11 N1 Ir2 . . 125.1(4) ?
C11 N1 C7 . . 120.4(5) ?
C25 N2 Ir2 . . 114.9(4) ?
C25 N2 C29 . . 120.5(5) ?
C29 N2 Ir2 . . 124.0(4) ?
C43 N3 Ir1 . . 116.2(4) ?
C43 N3 C47 . . 119.6(5) ?
C47 N3 Ir1 . . 123.6(4) ?
C61 N4 Ir1 . . 115.1(4) ?
C65 N4 Ir1 . . 124.8(4) ?
C65 N4 C61 . . 119.7(6) ?
C2 C1 Ir2 . . 128.4(5) ?
C2 C1 C6 . . 117.3(6) ?
C6 C1 Ir2 . . 114.3(5) ?
C1 C2 H2 . . 119.8 ?
C3 C2 C1 . . 120.4(6) ?
C3 C2 H2 . . 119.8 ?
C2 C3 C4 . . 121.3(6) ?
C2 C3 C12 . . 130.8(6) ?
C4 C3 C12 . . 108.0(6) ?
C3 C4 C18 . . 111.6(6) ?
C3 C4 C18B . . 110.6(8) ?
C5 C4 C3 . . 119.6(6) ?
C5 C4 C18 . . 128.4(6) ?
C5 C4 C18B . . 128.1(8) ?
C18B C4 C18 . . 18.9(7) ?
C4 C5 H5 . . 120.3 ?
C4 C5 C6 . . 119.4(6) ?
C6 C5 H5 . . 120.3 ?
C1 C6 C7 . . 114.7(6) ?
C5 C6 C1 . . 122.0(6) ?
C5 C6 C7 . . 123.3(6) ?
N1 C7 C6 . . 115.5(5) ?
N1 C7 C8 . . 118.6(6) ?
C8 C7 C6 . . 125.9(6) ?
C7 C8 H8 . . 119.1 ?
C9 C8 C7 . . 121.8(7) ?
C9 C8 H8 . . 119.1 ?
C8 C9 H9 . . 121.9 ?
C10 C9 C8 . . 116.3(7) ?
C10 C9 H9 . . 121.9 ?
F1 C10 C11 . . 118.2(6) ?
C9 C10 F1 . . 119.0(6) ?
C9 C10 C11 . . 122.8(6) ?
N1 C11 C10 . . 120.0(6) ?
N1 C11 H11 . . 120.0 ?
C10 C11 H11 . . 120.0 ?
C13 C12 C3 . . 130.4(6) ?
C13 C12 C17 . . 120.8(6) ?
C17 C12 C3 . . 108.8(6) ?
C12 C13 H13 . . 120.9 ?
C12 C13 C14 . . 118.1(6) ?
C14 C13 H13 . . 120.9 ?
C13 C14 H14 . . 119.6 ?
C15 C14 C13 . . 120.7(6) ?
C15 C14 H14 . . 119.7 ?
C14 C15 H15 . . 119.5 ?
C16 C15 C14 . . 121.0(6) ?
C16 C15 H15 . . 119.5 ?
C15 C16 H16 . . 120.7 ?
C15 C16 C17 . . 118.7(7) ?
C17 C16 H16 . . 120.7 ?
C12 C17 C18 . . 111.9(6) ?
C12 C17 C18B . . 109.3(8) ?
C16 C17 C12 . . 120.7(6) ?
C16 C17 C18 . . 127.2(7) ?
C16 C17 C18B . . 127.8(8) ?
C18 C17 C18B . . 18.6(7) ?
C20 C19 Ir2 . . 128.1(5) ?
C20 C19 C24 . . 116.9(6) ?
C24 C19 Ir2 . . 114.6(4) ?
C19 C20 H20 . . 119.4 ?
C21 C20 C19 . . 121.2(6) ?
C21 C20 H20 . . 119.4 ?
C20 C21 C22 . . 120.9(6) ?
C20 C21 C30 . . 131.3(6) ?
C22 C21 C30 . . 107.8(6) ?
C21 C22 C36 . . 111.9(6) ?
C23 C22 C21 . . 119.7(6) ?
C23 C22 C36 . . 128.4(7) ?
C22 C23 H23 . . 120.4 ?
C24 C23 C22 . . 119.2(7) ?
C24 C23 H23 . . 120.4 ?
C19 C24 C25 . . 114.0(6) ?
C23 C24 C19 . . 122.0(6) ?
C23 C24 C25 . . 124.0(6) ?
N2 C25 C24 . . 115.1(6) ?
N2 C25 C26 . . 119.6(6) ?
C26 C25 C24 . . 125.3(6) ?
C25 C26 H26 . . 119.9 ?
C27 C26 C25 . . 120.3(7) ?
C27 C26 H26 . . 119.9 ?
C26 C27 H27 . . 120.8 ?
C26 C27 C28 . . 118.4(7) ?
C28 C27 H27 . . 120.8 ?
F2 C28 C27 . . 119.9(6) ?
F2 C28 C29 . . 119.0(7) ?
C29 C28 C27 . . 121.0(7) ?
N2 C29 H29 . . 120.0 ?
C28 C29 N2 . . 120.1(6) ?
C28 C29 H29 . . 120.0 ?
C31 C30 C21 . . 130.3(7) ?
C35 C30 C21 . . 108.6(6) ?
C35 C30 C31 . . 121.1(6) ?
C30 C31 H31 . . 121.4 ?
C32 C31 C30 . . 117.2(7) ?
C32 C31 H31 . . 121.4 ?
C31 C32 H32 . . 119.3 ?
C33 C32 C31 . . 121.4(7) ?
C33 C32 H32 . . 119.3 ?
C32 C33 H33 . . 119.2 ?
C34 C33 C32 . . 121.5(7) ?
C34 C33 H33 . . 119.2 ?
C33 C34 H34 . . 120.3 ?
C33 C34 C35 . . 119.4(7) ?
C35 C34 H34 . . 120.3 ?
C30 C35 C34 . . 119.3(7) ?
C30 C35 C36 . . 111.5(6) ?
C34 C35 C36 . . 129.2(7) ?
C22 C36 C85 . . 111.2(6) ?
C22 C36 C91 . . 114.1(6) ?
C35 C36 C22 . . 100.0(6) ?
C35 C36 C85 . . 111.7(6) ?
C35 C36 C91 . . 112.2(7) ?
C85 C36 C91 . . 107.6(7) ?
C38 C37 Ir1 . . 128.2(5) ?
C38 C37 C42 . . 117.7(6) ?
C42 C37 Ir1 . . 113.6(4) ?
C37 C38 H38 . . 119.8 ?
C39 C38 C37 . . 120.4(6) ?
C39 C38 H38 . . 119.8 ?
C38 C39 C40 . . 121.1(6) ?
C38 C39 C48 . . 131.1(6) ?
C40 C39 C48 . . 107.8(5) ?
C39 C40 C54 . . 111.6(5) ?
C41 C40 C39 . . 119.6(6) ?
C41 C40 C54 . . 128.9(6) ?
C40 C41 H41 . . 120.2 ?
C40 C41 C42 . . 119.5(6) ?
C42 C41 H41 . . 120.2 ?
C37 C42 C43 . . 114.9(5) ?
C41 C42 C37 . . 121.6(6) ?
C41 C42 C43 . . 123.4(6) ?
N3 C43 C42 . . 113.8(5) ?
N3 C43 C44 . . 120.3(6) ?
C44 C43 C42 . . 125.6(6) ?
C43 C44 H44 . . 119.5 ?
C43 C44 C45 . . 121.0(6) ?
C45 C44 H44 . . 119.5 ?
C44 C45 H45 . . 121.6 ?
C46 C45 C44 . . 116.8(6) ?
C46 C45 H45 . . 121.6 ?
C45 C46 F3 . . 119.3(6) ?
C45 C46 C47 . . 122.5(7) ?
C47 C46 F3 . . 118.1(6) ?
N3 C47 C46 . . 119.7(6) ?
N3 C47 H47 . . 120.2 ?
C46 C47 H47 . . 120.2 ?
C49 C48 C39 . . 130.9(6) ?
C49 C48 C53 . . 120.5(6) ?
C53 C48 C39 . . 108.6(5) ?
C48 C49 H49 . . 120.8 ?
C48 C49 C50 . . 118.4(6) ?
C50 C49 H49 . . 120.8 ?
C49 C50 H50 . . 119.8 ?
C51 C50 C49 . . 120.4(6) ?
C51 C50 H50 . . 119.8 ?
C50 C51 H51 . . 119.4 ?
C50 C51 C52 . . 121.1(6) ?
C52 C51 H51 . . 119.4 ?
C51 C52 H52 . . 120.5 ?
C53 C52 C51 . . 119.0(6) ?
C53 C52 H52 . . 120.5 ?
C48 C53 C54 . . 110.7(6) ?
C52 C53 C48 . . 120.5(6) ?
C52 C53 C54 . . 128.7(6) ?
C40 C54 C53 . . 101.4(5) ?
C40 C54 C97 . . 112.0(6) ?
C40 C54 C103 . . 112.8(5) ?
C53 C54 C97 . . 110.3(5) ?
C53 C54 C103 . . 110.6(6) ?
C103 C54 C97 . . 109.5(6) ?
C56 C55 Ir1 . . 127.3(4) ?
C56 C55 C60 . . 119.0(6) ?
C60 C55 Ir1 . . 113.6(5) ?
C55 C56 H56 . . 120.4 ?
C55 C56 C57 . . 119.2(6) ?
C57 C56 H56 . . 120.4 ?
C56 C57 C58 . . 121.4(6) ?
C56 C57 C66 . . 129.9(6) ?
C58 C57 C66 . . 108.6(6) ?
C57 C58 C72 . . 110.4(6) ?
C59 C58 C57 . . 119.9(6) ?
C59 C58 C72 . . 129.7(6) ?
C58 C59 H59 . . 120.4 ?
C58 C59 C60 . . 119.1(6) ?
C60 C59 H59 . . 120.4 ?
C55 C60 C61 . . 115.7(6) ?
C59 C60 C55 . . 121.2(6) ?
C59 C60 C61 . . 123.0(6) ?
N4 C61 C60 . . 114.0(5) ?
N4 C61 C62 . . 119.8(6) ?
C62 C61 C60 . . 126.2(6) ?
C61 C62 H62 . . 119.4 ?
C63 C62 C61 . . 121.1(7) ?
C63 C62 H62 . . 119.4 ?
C62 C63 H63 . . 121.3 ?
C64 C63 C62 . . 117.3(7) ?
C64 C63 H63 . . 121.3 ?
F4 C64 C65 . . 117.0(7) ?
C63 C64 F4 . . 120.6(7) ?
C63 C64 C65 . . 122.4(7) ?
N4 C65 C64 . . 119.6(6) ?
N4 C65 H65 . . 120.2 ?
C64 C65 H65 . . 120.2 ?
C67 C66 C57 . . 130.2(6) ?
C67 C66 C71 . . 120.7(6) ?
C71 C66 C57 . . 109.1(6) ?
C66 C67 H67 . . 120.8 ?
C66 C67 C68 . . 118.5(6) ?
C68 C67 H67 . . 120.8 ?
C67 C68 H68 . . 120.3 ?
C69 C68 C67 . . 119.4(7) ?
C69 C68 H68 . . 120.3 ?
C68 C69 H69 . . 118.8 ?
C70 C69 C68 . . 122.4(7) ?
C70 C69 H69 . . 118.8 ?
C69 C70 H70 . . 120.6 ?
C69 C70 C71 . . 118.8(6) ?
C71 C70 H70 . . 120.6 ?
C66 C71 C72 . . 110.3(6) ?
C70 C71 C66 . . 120.2(7) ?
C70 C71 C72 . . 129.5(6) ?
C58 C72 C115 . . 110.9(6) ?
C71 C72 C58 . . 101.5(5) ?
C71 C72 C109 . . 112.7(6) ?
C71 C72 C115 . . 112.5(6) ?
C109 C72 C58 . . 111.7(6) ?
C109 C72 C115 . . 107.6(6) ?
H82C C82 H82D . . 108.7 ?
H82C C82 H82A . . 61.7 ?
H82C C82 H82B . . 93.7 ?
H82D C82 H82A . . 137.4 ?
H82D C82 H82B . . 28.8 ?
H82A C82 H82B . . 108.7 ?
C81 C82 H82C . . 110.6 ?
C81 C82 H82D . . 110.6 ?
C81 C82 H82A . . 50.4 ?
C81 C82 H82B . . 94.7 ?
C81 C82 C81B . . 71.2(14) ?
C83 C82 H82C . . 110.6 ?
C83 C82 H82D . . 110.6 ?
C83 C82 H82A . . 111.5 ?
C83 C82 H82B . . 139.4 ?
C83 C82 C81 . . 105.7(11) ?
C83 C82 C81B . . 48.5(12) ?
C83 C82 C83B . . 60.4(16) ?
C81B C82 H82C . . 155.7 ?
C81B C82 H82D . . 92.3 ?
C81B C82 H82A . . 110.5 ?
C81B C82 H82B . . 110.5 ?
C83B C82 H82C . . 60.6 ?
C83B C82 H82D . . 96.0 ?
C83B C82 H82A . . 110.5 ?
C83B C82 H82B . . 110.5 ?
C83B C82 C81 . . 153(2) ?
C83B C82 C81B . . 106(2) ?
C36 C85 H85A . . 107.6 ?
C36 C85 H85B . . 107.6 ?
H85A C85 H85B . . 107.1 ?
C86 C85 C36 . . 118.8(6) ?
C86 C85 H85A . . 107.6 ?
C86 C85 H85B . . 107.6 ?
C85 C86 H86A . . 109.3 ?
C85 C86 H86B . . 109.3 ?
H86A C86 H86B . . 108.0 ?
C87 C86 C85 . . 111.5(7) ?
C87 C86 H86A . . 109.3 ?
C87 C86 H86B . . 109.3 ?
C86 C87 H87A . . 108.6 ?
C86 C87 H87B . . 108.6 ?
H87A C87 H87B . . 107.6 ?
C88 C87 C86 . . 114.5(7) ?
C88 C87 H87A . . 108.6 ?
C88 C87 H87B . . 108.6 ?
C87 C88 H88A . . 109.3 ?
C87 C88 H88B . . 109.3 ?
C87 C88 C89 . . 111.8(8) ?
H88A C88 H88B . . 107.9 ?
C89 C88 H88A . . 109.3 ?
C89 C88 H88B . . 109.3 ?
C88 C89 H89A . . 108.9 ?
C88 C89 H89B . . 108.9 ?
H89A C89 H89B . . 107.7 ?
C90 C89 C88 . . 113.3(8) ?
C90 C89 H89A . . 108.9 ?
C90 C89 H89B . . 108.9 ?
C89 C90 H90A . . 109.5 ?
C89 C90 H90B . . 109.5 ?
C89 C90 H90C . . 109.5 ?
H90A C90 H90B . . 109.5 ?
H90A C90 H90C . . 109.5 ?
H90B C90 H90C . . 109.5 ?
C36 C91 H91A . . 108.6 ?
C36 C91 H91B . . 108.6 ?
H91A C91 H91B . . 107.6 ?
C92 C91 C36 . . 114.7(7) ?
C92 C91 H91A . . 108.6 ?
C92 C91 H91B . . 108.6 ?
C91 C92 H92A . . 107.0 ?
C91 C92 H92B . . 107.0 ?
C91 C92 H92C . . 111.5 ?
C91 C92 H92D . . 111.5 ?
C91 C92 C93 . . 121.4(9) ?
C91 C92 C93B . . 101.2(12) ?
H92A C92 H92B . . 106.7 ?
H92C C92 H92D . . 109.3 ?
C93 C92 H92A . . 107.0 ?
C93 C92 H92B . . 107.0 ?
C93B C92 H92C . . 111.5 ?
C93B C92 H92D . . 111.5 ?
C54 C97 H97A . . 108.2 ?
C54 C97 H97B . . 108.2 ?
H97A C97 H97B . . 107.4 ?
C98 C97 C54 . . 116.2(6) ?
C98 C97 H97A . . 108.2 ?
C98 C97 H97B . . 108.2 ?
C97 C98 H98A . . 109.3 ?
C97 C98 H98B . . 109.3 ?
C97 C98 C99 . . 111.7(7) ?
H98A C98 H98B . . 107.9 ?
C99 C98 H98A . . 109.3 ?
C99 C98 H98B . . 109.3 ?
C98 C99 H99A . . 108.8 ?
C98 C99 H99B . . 108.8 ?
H99A C99 H99B . . 107.7 ?
C100 C99 C98 . . 114.0(8) ?
C100 C99 H99A . . 108.8 ?
C100 C99 H99B . . 108.8 ?
C99 C100 H10C . . 108.4 ?
C99 C100 H10D . . 108.4 ?
C99 C100 H10A . . 107.4 ?
C99 C100 H10B . . 107.4 ?
C99 C100 C101 . . 119.7(11) ?
C99 C100 C201 . . 116(2) ?
H10C C100 H10D . . 107.5 ?
H10A C100 H10B . . 106.9 ?
C101 C100 H10A . . 107.4 ?
C101 C100 H10B . . 107.4 ?
C201 C100 H10C . . 108.4 ?
C201 C100 H10D . . 108.4 ?
C54 C103 H10E . . 108.4 ?
C54 C103 H10F . . 108.4 ?
H10E C103 H10F . . 107.5 ?
C104 C103 C54 . . 115.5(6) ?
C104 C103 H10E . . 108.4 ?
C104 C103 H10F . . 108.4 ?
C103 C104 H10G . . 106.7 ?
C103 C104 H10H . . 106.4 ?
C103 C104 C105 . . 106.2(10) ?
C103 C104 C205 . . 127(2) ?
H10G C104 H10H . . 106.5 ?
C105 C104 H10G . . 107.7 ?
C105 C104 H10H . . 122.5 ?
C205 C104 H10G . . 106.0 ?
C205 C104 H10H . . 103.3 ?
C72 C109 H10I . . 108.3 ?
C72 C109 H10J . . 108.3 ?
H10I C109 H10J . . 107.4 ?
C110 C109 C72 . . 115.9(6) ?
C110 C109 H10I . . 108.3 ?
C110 C109 H10J . . 108.3 ?
C109 C110 H11A . . 107.8 ?
C109 C110 H11B . . 107.8 ?
C109 C110 H11C . . 111.3 ?
C109 C110 H11D . . 111.3 ?
C109 C110 C111 . . 118.0(9) ?
C109 C110 C211 . . 102.1(11) ?
H11A C110 H11B . . 107.1 ?
H11C C110 H11D . . 109.2 ?
C111 C110 H11A . . 107.8 ?
C111 C110 H11B . . 107.8 ?
C211 C110 H11C . . 111.3 ?
C211 C110 H11D . . 111.3 ?
C72 C115 H11E . . 108.0 ?
C72 C115 H11F . . 108.0 ?
H11E C115 H11F . . 107.2 ?
C116 C115 C72 . . 117.3(6) ?
C116 C115 H11E . . 108.0 ?
C116 C115 H11F . . 108.0 ?
C115 C116 H11G . . 111.4 ?
C115 C116 H11H . . 111.4 ?
C115 C116 H11I . . 106.2 ?
C115 C116 H11J . . 106.2 ?
C115 C116 C117 . . 101.9(8) ?
C115 C116 C217 . . 124.3(11) ?
H11G C116 H11H . . 109.2 ?
H11I C116 H11J . . 106.4 ?
C117 C116 H11G . . 111.4 ?
C117 C116 H11H . . 111.4 ?
C217 C116 H11I . . 106.2 ?
C217 C116 H11J . . 106.2 ?
C4 C18 C17 . . 98.5(6) ?
C4 C18 C73 . . 114.4(7) ?
C4 C18 C79B . . 94.0(9) ?
C17 C18 C79B . . 94.2(9) ?
C73 C18 C17 . . 113.7(8) ?
C73 C18 C79B . . 135.1(10) ?
C79 C18 C4 . . 112.2(7) ?
C79 C18 C17 . . 109.4(7) ?
C79 C18 C73 . . 108.4(7) ?
C79 C18 C79B . . 26.8(7) ?
C73B C18 C4 . . 125.1(15) ?
C73B C18 C17 . . 131.6(15) ?
C73B C18 C73 . . 33.5(11) ?
C73B C18 C79 . . 75.3(13) ?
C73B C18 C79B . . 101.8(14) ?
C18B C18 C4 . . 77(2) ?
C18B C18 C17 . . 82(2) ?
C18B C18 C73 . . 157(2) ?
C18B C18 C79 . . 49(2) ?
C18B C18 C73B . . 124(3) ?
C18B C18 C79B . . 22(2) ?
C18 C73 H73A . . 108.5 ?
C18 C73 H73B . . 108.5 ?
C18 C73 C75B . . 173.6(12) ?
C18 C73 C18B . . 5.5(6) ?
H73A C73 H73B . . 107.5 ?
C74 C73 C18 . . 115.2(9) ?
C74 C73 H73A . . 108.5 ?
C74 C73 H73B . . 108.5 ?
C74 C73 C75B . . 65.8(10) ?
C74 C73 C18B . . 120.3(9) ?
C75B C73 H73A . . 76.6 ?
C75B C73 H73B . . 65.7 ?
C75B C73 C18B . . 169.7(12) ?
C73B C73 C18 . . 46.7(16) ?
C73B C73 H73A . . 94.3 ?
C73B C73 H73B . . 71.1 ?
C73B C73 C74 . . 156(2) ?
C73B C73 C75B . . 130(2) ?
C73B C73 C18B . . 41.2(15) ?
C74B C73 C18 . . 144(3) ?
C74B C73 H73A . . 78.0 ?
C74B C73 H73B . . 102.2 ?
C74B C73 C74 . . 35(3) ?
C74B C73 C75B . . 39(3) ?
C74B C73 C73B . . 168(4) ?
C74B C73 C18B . . 150(3) ?
C18B C73 H73A . . 107.3 ?
C18B C73 H73B . . 104.1 ?
C73 C74 H74A . . 109.5 ?
C73 C74 H74B . . 109.5 ?
C73 C74 C75A . . 110.7(9) ?
C73 C74 C75B . . 68.2(9) ?
H74A C74 H74B . . 108.1 ?
C75A C74 H74A . . 109.5 ?
C75A C74 H74B . . 109.5 ?
C75A C74 C75B . . 84.4(11) ?
C75B C74 H74A . . 61.2 ?
C75B C74 H74B . . 165.3 ?
C74B C74 C73 . . 21.1(14) ?
C74B C74 H74A . . 88.9 ?
C74B C74 H74B . . 122.2 ?
C74B C74 C75A . . 116(2) ?
C74B C74 C75B . . 51.4(14) ?
C74 C75A H75A . . 108.0 ?
C74 C75A H75B . . 108.0 ?
C74 C75A C76 . . 117.2(10) ?
H75A C75A H75B . . 107.2 ?
C76 C75A H75A . . 108.0 ?
C76 C75A H75B . . 108.0 ?
C75A C76 H76A . . 109.5 ?
C75A C76 H76B . . 109.5 ?
H76A C76 H76B . . 108.0 ?
C77 C76 C75A . . 110.9(12) ?
C77 C76 H76A . . 109.5 ?
C77 C76 H76B . . 109.5 ?
C76 C77 H77A . . 108.9 ?
C76 C77 H77B . . 108.9 ?
C76 C77 C78 . . 113.2(14) ?
H77A C77 H77B . . 107.7 ?
C78 C77 H77A . . 108.9 ?
C78 C77 H77B . . 108.9 ?
C77 C78 H78A . . 109.5 ?
C77 C78 H78B . . 109.5 ?
C77 C78 H78C . . 109.5 ?
H78A C78 H78B . . 109.5 ?
H78A C78 H78C . . 109.5 ?
H78B C78 H78C . . 109.5 ?
C18 C79 H79A . . 108.3 ?
C18 C79 H79B . . 108.3 ?
C18 C79 C80 . . 115.8(7) ?
C18 C79 C73B . . 41.6(8) ?
H79A C79 H79B . . 107.4 ?
C80 C79 H79A . . 108.3 ?
C80 C79 H79B . . 108.3 ?
C80 C79 C73B . . 157.3(10) ?
C73B C79 H79A . . 83.2 ?
C73B C79 H79B . . 85.6 ?
C79B C79 C18 . . 104.9(15) ?
C79B C79 H79A . . 122.0 ?
C79B C79 H79B . . 105.2 ?
C79B C79 C80 . . 14.3(16) ?
C79B C79 C73B . . 145.9(17) ?
C79B C79 C18B . . 87.4(15) ?
C18B C79 C18 . . 17.6(9) ?
C18B C79 H79A . . 119.9 ?
C18B C79 H79B . . 113.4 ?
C18B C79 C80 . . 98.6(11) ?
C18B C79 C73B . . 58.9(9) ?
C79 C80 H80A . . 109.0 ?
C79 C80 H80B . . 109.0 ?
H80A C80 H80B . . 107.8 ?
C81 C80 C79 . . 112.8(8) ?
C81 C80 H80A . . 109.0 ?
C81 C80 H80B . . 109.0 ?
C79B C80 C79 . . 20(2) ?
C79B C80 H80A . . 113.4 ?
C79B C80 H80B . . 89.8 ?
C79B C80 C81 . . 125(2) ?
C79B C80 C80B . . 115(3) ?
C80B C80 C79 . . 134.1(17) ?
C80B C80 H80A . . 81.0 ?
C80B C80 H80B . . 30.8 ?
C80B C80 C81 . . 104.9(16) ?
C82 C81 H81A . . 109.5 ?
C82 C81 H81B . . 109.5 ?
C82 C81 C79B . . 127.0(11) ?
C82 C81 C81B . . 54.4(11) ?
C80 C81 C82 . . 110.8(9) ?
C80 C81 H81A . . 109.5 ?
C80 C81 H81B . . 109.5 ?
C80 C81 C79B . . 16.3(8) ?
C80 C81 C81B . . 75.1(10) ?
H81A C81 H81B . . 108.1 ?
C79B C81 H81A . . 99.1 ?
C79B C81 H81B . . 102.3 ?
C81B C81 H81A . . 162.8 ?
C81B C81 H81B . . 85.0 ?
C81B C81 C79B . . 88.6(11) ?
C82 C83 H83A . . 112.7 ?
C82 C83 H83B . . 112.7 ?
C82 C83 C84 . . 95.0(13) ?
C82 C83 C83B . . 61.4(11) ?
H83A C83 H83B . . 110.2 ?
C84 C83 H83A . . 112.7 ?
C84 C83 H83B . . 112.7 ?
C81B C83 C82 . . 70.5(18) ?
C81B C83 H83A . . 108.4 ?
C81B C83 H83B . . 47.9 ?
C81B C83 C84 . . 139(3) ?
C81B C83 C83B . . 128(2) ?
C83B C83 H83A . . 107.7 ?
C83B C83 H83B . . 140.1 ?
C83B C83 C84 . . 38.1(18) ?
C83 C84 H84A . . 109.5 ?
C83 C84 H84B . . 109.5 ?
C83 C84 H84C . . 109.5 ?
H84A C84 H84B . . 109.5 ?
H84A C84 H84C . . 109.5 ?
H84B C84 H84C . . 109.5 ?
C83B C84 C83 . . 66.1(19) ?
C83B C84 H84A . . 154.4 ?
C83B C84 H84B . . 53.9 ?
C83B C84 H84C . . 95.3 ?
C92 C93 H93A . . 108.3 ?
C92 C93 H93B . . 108.3 ?
H93A C93 H93B . . 107.4 ?
C94 C93 C92 . . 115.8(11) ?
C94 C93 H93A . . 108.3 ?
C94 C93 H93B . . 108.3 ?
C93 C94 H94A . . 109.5 ?
C93 C94 H94B . . 109.5 ?
C93 C94 C95 . . 110.7(12) ?
H94A C94 H94B . . 108.1 ?
C95 C94 H94A . . 109.5 ?
C95 C94 H94B . . 109.5 ?
C94 C95 H95A . . 110.7 ?
C94 C95 H95B . . 110.7 ?
H95A C95 H95B . . 108.8 ?
C96 C95 C94 . . 105.0(12) ?
C96 C95 H95A . . 110.7 ?
C96 C95 H95B . . 110.7 ?
C95 C96 H96A . . 109.5 ?
C95 C96 H96B . . 109.5 ?
C95 C96 H96C . . 109.5 ?
H96A C96 H96B . . 109.5 ?
H96A C96 H96C . . 109.5 ?
H96B C96 H96C . . 109.5 ?
C100 C101 H10K . . 110.1 ?
C100 C101 H10L . . 110.1 ?
H10K C101 H10L . . 108.4 ?
C102 C101 C100 . . 108.2(10) ?
C102 C101 H10K . . 110.1 ?
C102 C101 H10L . . 110.1 ?
C101 C102 H10M . . 109.5 ?
C101 C102 H10N . . 109.5 ?
C101 C102 H10O . . 109.5 ?
H10M C102 H10N . . 109.5 ?
H10M C102 H10O . . 109.5 ?
H10N C102 H10O . . 109.5 ?
C104 C105 H10P . . 109.6 ?
C104 C105 H10Q . . 109.6 ?
H10P C105 H10Q . . 108.1 ?
C106 C105 C104 . . 110.3(15) ?
C106 C105 H10P . . 109.6 ?
C106 C105 H10Q . . 109.6 ?
C105 C106 H10R . . 103.4 ?
C105 C106 H10S . . 103.4 ?
H10R C106 H10S . . 105.2 ?
C107 C106 C105 . . 135.1(19) ?
C107 C106 H10R . . 103.4 ?
C107 C106 H10S . . 103.4 ?
C106 C107 H10T . . 107.2 ?
C106 C107 H10U . . 107.2 ?
C106 C107 C108 . . 120.5(19) ?
H10T C107 H10U . . 106.8 ?
C108 C107 H10T . . 107.2 ?
C108 C107 H10U . . 107.2 ?
C107 C108 H10V . . 109.5 ?
C107 C108 H10W . . 109.5 ?
C107 C108 H10X . . 109.5 ?
H10V C108 H10W . . 109.5 ?
H10V C108 H10X . . 109.5 ?
H10W C108 H10X . . 109.5 ?
C110 C111 H11K . . 106.9 ?
C110 C111 H11L . . 106.9 ?
C110 C111 C112 . . 121.6(11) ?
H11K C111 H11L . . 106.7 ?
C112 C111 H11K . . 106.9 ?
C112 C111 H11L . . 106.9 ?
C111 C112 H11M . . 107.3 ?
C111 C112 H11N . . 107.3 ?
H11M C112 H11N . . 106.9 ?
C113 C112 C111 . . 120.2(14) ?
C113 C112 H11M . . 107.3 ?
C113 C112 H11N . . 107.3 ?
C112 C113 H11O . . 109.1 ?
C112 C113 H11P . . 109.1 ?
C112 C113 C114 . . 112.3(16) ?
H11O C113 H11P . . 107.9 ?
C114 C113 H11O . . 109.1 ?
C114 C113 H11P . . 109.1 ?
C113 C114 H11Q . . 109.5 ?
C113 C114 H11R . . 109.5 ?
C113 C114 H11S . . 109.5 ?
H11Q C114 H11R . . 109.5 ?
H11Q C114 H11S . . 109.5 ?
H11R C114 H11S . . 109.5 ?
C116 C117 H11T . . 110.7 ?
C116 C117 H11U . . 110.7 ?
H11T C117 H11U . . 108.8 ?
C118 C117 C116 . . 105.4(11) ?
C118 C117 H11T . . 110.7 ?
C118 C117 H11U . . 110.7 ?
C117 C118 H11V . . 109.6 ?
C117 C118 H11W . . 109.6 ?
C117 C118 C119 . . 110.2(12) ?
H11V C118 H11W . . 108.1 ?
C119 C118 H11V . . 109.6 ?
C119 C118 H11W . . 109.6 ?
C118 C119 H11X . . 109.5 ?
C118 C119 H11Y . . 109.5 ?
C118 C119 C120 . . 110.7(15) ?
H11X C119 H11Y . . 108.1 ?
C120 C119 H11X . . 109.5 ?
C120 C119 H11Y . . 109.5 ?
C119 C120 H12A . . 109.5 ?
C119 C120 H12B . . 109.5 ?
C119 C120 H12C . . 109.5 ?
H12A C120 H12B . . 109.5 ?
H12A C120 H12C . . 109.5 ?
H12B C120 H12C . . 109.5 ?
H96D C96B H96E . . 109.5 ?
H96D C96B H96F . . 109.5 ?
H96E C96B H96F . . 109.5 ?
C95B C96B H96D . . 109.5 ?
C95B C96B H96E . . 109.5 ?
C95B C96B H96F . . 109.5 ?
C110 C211 H21A . . 111.1 ?
C110 C211 H21B . . 111.1 ?
H21A C211 H21B . . 109.0 ?
C212 C211 C110 . . 103.4(16) ?
C212 C211 H21A . . 111.1 ?
C212 C211 H21B . . 111.1 ?
C211 C212 H21C . . 109.3 ?
C211 C212 H21D . . 109.3 ?
H21C C212 H21D . . 107.9 ?
C213 C212 C211 . . 111.8(17) ?
C213 C212 H21C . . 109.3 ?
C213 C212 H21D . . 109.3 ?
C212 C213 H21E . . 109.5 ?
C212 C213 H21F . . 109.5 ?
C212 C213 C214 . . 111(2) ?
H21E C213 H21F . . 108.1 ?
C214 C213 H21E . . 109.5 ?
C214 C213 H21F . . 109.5 ?
C213 C214 H21G . . 109.5 ?
C213 C214 H21H . . 109.5 ?
C213 C214 H21I . . 109.5 ?
H21G C214 H21H . . 109.5 ?
H21G C214 H21I . . 109.5 ?
H21H C214 H21I . . 109.5 ?
C92 C93B H93C . . 111.5 ?
C92 C93B H93D . . 111.5 ?
C92 C93B C94B . . 101.4(16) ?
H93C C93B H93D . . 109.3 ?
C94B C93B H93C . . 111.5 ?
C94B C93B H93D . . 111.5 ?
C93B C94B H94C . . 104.4 ?
C93B C94B H94D . . 104.4 ?
H94C C94B H94D . . 105.6 ?
C95B C94B C93B . . 132(3) ?
C95B C94B H94C . . 104.4 ?
C95B C94B H94D . . 104.4 ?
C96B C95B C94B . . 107(2) ?
C96B C95B H95C . . 110.3 ?
C96B C95B H95D . . 110.3 ?
C94B C95B H95C . . 110.3 ?
C94B C95B H95D . . 110.3 ?
H95C C95B H95D . . 108.5 ?
C100 C201 H20A . . 110.8 ?
C100 C201 H20B . . 110.8 ?
H20A C201 H20B . . 108.9 ?
C202 C201 C100 . . 105(3) ?
C202 C201 H20A . . 110.8 ?
C202 C201 H20B . . 110.8 ?
C201 C202 H20C . . 109.5 ?
C201 C202 H20D . . 109.5 ?
C201 C202 H20E . . 109.5 ?
H20C C202 H20D . . 109.5 ?
H20C C202 H20E . . 109.5 ?
H20D C202 H20E . . 109.5 ?
C116 C217 H21J . . 106.6 ?
C116 C217 H21K . . 106.6 ?
H21J C217 H21K . . 106.5 ?
C218 C217 C116 . . 123.1(15) ?
C218 C217 H21J . . 106.6 ?
C218 C217 H21K . . 106.6 ?
C217 C218 H21L . . 107.2 ?
C217 C218 H21M . . 107.2 ?
C217 C218 C219 . . 120(2) ?
H21L C218 H21M . . 106.9 ?
C219 C218 H21L . . 107.2 ?
C219 C218 H21M . . 107.2 ?
C218 C219 H21N . . 109.3 ?
C218 C219 H21O . . 109.3 ?
H21N C219 H21O . . 107.9 ?
C220 C219 C218 . . 112(2) ?
C220 C219 H21N . . 109.3 ?
C220 C219 H21O . . 109.3 ?
C219 C220 H22A . . 109.5 ?
C219 C220 H22B . . 109.5 ?
C219 C220 H22C . . 109.5 ?
H22A C220 H22B . . 109.5 ?
H22A C220 H22C . . 109.5 ?
H22B C220 H22C . . 109.5 ?
C104 C205 H20F . . 105.3 ?
C104 C205 H20G . . 105.3 ?
H20F C205 H20G . . 106.0 ?
C206 C205 C104 . . 128(4) ?
C206 C205 H20F . . 105.3 ?
C206 C205 H20G . . 105.3 ?
C205 C206 H20H . . 103.1 ?
C205 C206 H20I . . 103.1 ?
H20H C206 H20I . . 105.1 ?
C207 C206 C205 . . 136(4) ?
C207 C206 H20H . . 103.1 ?
C207 C206 H20I . . 103.1 ?
C206 C207 H20J . . 109.6 ?
C206 C207 H20K . . 109.6 ?
H20J C207 H20K . . 108.2 ?
C208 C207 C206 . . 110(5) ?
C208 C207 H20J . . 109.6 ?
C208 C207 H20K . . 109.6 ?
C207 C208 H20L . . 109.5 ?
C207 C208 H20M . . 109.5 ?
C207 C208 H20N . . 109.5 ?
H20L C208 H20M . . 109.5 ?
H20L C208 H20N . . 109.5 ?
H20M C208 H20N . . 109.5 ?
C73 C75B H75C . . 100.2 ?
C73 C75B H75D . . 96.7 ?
C74 C75B C73 . . 46.0(7) ?
C74 C75B H75C . . 136.6 ?
C74 C75B H75D . . 103.8 ?
H75C C75B H75D . . 106.9 ?
C76B C75B C73 . . 135.6(19) ?
C76B C75B C74 . . 91.5(16) ?
C76B C75B H75C . . 107.4 ?
C76B C75B H75D . . 107.4 ?
C76B C75B C74B . . 120(2) ?
C74B C75B C73 . . 16.0(11) ?
C74B C75B C74 . . 33.0(12) ?
C74B C75B H75C . . 107.4 ?
C74B C75B H75D . . 107.4 ?
H78D C78B H78E . . 109.5 ?
H78D C78B H78F . . 109.5 ?
H78E C78B H78F . . 109.5 ?
C77B C78B H78D . . 109.5 ?
C77B C78B H78E . . 109.5 ?
C77B C78B H78F . . 109.5 ?
C75B C76B H76C . . 107.7 ?
C75B C76B H76D . . 107.7 ?
C75B C76B C77B . . 118(2) ?
H76C C76B H76D . . 107.1 ?
C77B C76B H76C . . 107.7 ?
C77B C76B H76D . . 107.7 ?
C78B C77B C76B . . 100.0(17) ?
C78B C77B H77C . . 111.8 ?
C78B C77B H77D . . 111.8 ?
C76B C77B H77C . . 111.8 ?
C76B C77B H77D . . 111.8 ?
H77C C77B H77D . . 109.5 ?
C18 C73B C79 . . 63.1(10) ?
C18 C73B H73C . . 114.9 ?
C18 C73B H73D . . 115.8 ?
C18 C73B C74B . . 104.7(19) ?
C18 C73B C18B . . 16.4(8) ?
C73 C73B C18 . . 100(2) ?
C73 C73B C79 . . 161(2) ?
C73 C73B H73C . . 108.1 ?
C73 C73B H73D . . 111.1 ?
C73 C73B C74B . . 5.2(16) ?
C73 C73B C18B . . 116(2) ?
C79 C73B H73C . . 87.5 ?
C79 C73B H73D . . 72.7 ?
H73C C73B H73D . . 106.8 ?
C74B C73B C79 . . 165(2) ?
C74B C73B H73C . . 107.0 ?
C74B C73B H73D . . 107.0 ?
C18B C73B C79 . . 46.9(9) ?
C18B C73B H73C . . 107.0 ?
C18B C73B H73D . . 107.0 ?
C18B C73B C74B . . 121.2(19) ?
C73 C74B C74 . . 124(4) ?
C73 C74B C75B . . 125(4) ?
C73 C74B C73B . . 7(2) ?
C73 C74B H74C . . 107.2 ?
C73 C74B H74D . . 101.6 ?
C74 C74B C75B . . 96(2) ?
C74 C74B C73B . . 130(3) ?
C74 C74B H74C . . 93.2 ?
C74 C74B H74D . . 22.8 ?
C75B C74B H74C . . 107.6 ?
C75B C74B H74D . . 107.6 ?
C73B C74B C75B . . 119(2) ?
C73B C74B H74C . . 107.6 ?
C73B C74B H74D . . 107.6 ?
H74C C74B H74D . . 107.1 ?
C18 C79B C81 . . 165.1(15) ?
C18 C79B H79C . . 104.9 ?
C18 C79B H79D . . 104.1 ?
C79 C79B C18 . . 48.3(11) ?
C79 C79B C81 . . 117.0(19) ?
C79 C79B H79C . . 76.5 ?
C79 C79B H79D . . 76.5 ?
C79 C79B C80B . . 171(2) ?
C79 C79B C18B . . 55.5(13) ?
C80 C79B C18 . . 151(3) ?
C80 C79B C79 . . 146(4) ?
C80 C79B C81 . . 38.8(18) ?
C80 C79B H79C . . 103.5 ?
C80 C79B H79D . . 71.2 ?
C80 C79B C80B . . 41(2) ?
C80 C79B C18B . . 146(3) ?
C81 C79B H79C . . 69.6 ?
C81 C79B H79D . . 66.0 ?
H79C C79B H79D . . 107.4 ?
C80B C79B C18 . . 122.8(16) ?
C80B C79B C81 . . 71.9(14) ?
C80B C79B H79C . . 108.4 ?
C80B C79B H79D . . 108.4 ?
C80B C79B C18B . . 115.6(18) ?
C18B C79B C18 . . 7.2(7) ?
C18B C79B C81 . . 172.2(18) ?
C18B C79B H79C . . 108.4 ?
C18B C79B H79D . . 108.4 ?
C80 C80B C79B . . 24.1(11) ?
C80 C80B H80C . . 128.4 ?
C80 C80B H80D . . 105.3 ?
C80 C80B C81B . . 101(3) ?
C79B C80B H80C . . 106.8 ?
C79B C80B H80D . . 106.8 ?
C79B C80B C81B . . 122(2) ?
H80C C80B H80D . . 106.6 ?
C81B C80B H80C . . 106.8 ?
C81B C80B H80D . . 106.8 ?
C82 C81B C81 . . 54.4(12) ?
C82 C81B H81C . . 108.1 ?
C82 C81B H81D . . 108.1 ?
C81 C81B H81C . . 87.9 ?
C81 C81B H81D . . 160.6 ?
C83 C81B C82 . . 61.1(14) ?
C83 C81B C81 . . 102(2) ?
C83 C81B C80B . . 177(3) ?
C83 C81B H81C . . 74.3 ?
C83 C81B H81D . . 71.9 ?
C80B C81B C82 . . 117(3) ?
C80B C81B C81 . . 77.2(19) ?
C80B C81B H81C . . 108.1 ?
C80B C81B H81D . . 108.1 ?
H81C C81B H81D . . 107.3 ?
C18 C18B C4 . . 84(2) ?
C18 C18B C79 . . 113(3) ?
C18 C18B C73B . . 40(2) ?
C79 C18B C4 . . 133.6(13) ?
C79 C18B C73B . . 74.1(13) ?
C73B C18B C4 . . 105.8(15) ?
C82 C83B H83C . . 109.8 ?
C82 C83B H83D . . 109.8 ?
C83 C83B C82 . . 58.2(9) ?
C83 C83B H83C . . 73.2 ?
C83 C83B H83D . . 80.7 ?
C83 C83B C84B . . 167(3) ?
C84 C83B C82 . . 125(4) ?
C84 C83B C83 . . 76(3) ?
C84 C83B H83C . . 21.0 ?
C84 C83B H83D . . 88.5 ?
C84 C83B C84B . . 112(3) ?
H83C C83B H83D . . 108.3 ?
C84B C83B C82 . . 109(2) ?
C84B C83B H83C . . 109.8 ?
C84B C83B H83D . . 109.8 ?
C83B C84B H84D . . 109.5 ?
C83B C84B H84E . . 109.5 ?
C83B C84B H84F . . 109.5 ?
H84D C84B H84E . . 109.5 ?
H84D C84B H84F . . 109.5 ?
H84E C84B H84F . . 109.5 ?
H1SA C1S H1SB . . 109.5 ?
H1SA C1S H1SC . . 109.5 ?
H1SB C1S H1SC . . 109.5 ?
C2S C1S H1SA . . 109.5 ?
C2S C1S H1SB . . 109.5 ?
C2S C1S H1SC . . 109.5 ?
C1S C2S H2SA . . 109.7 ?
C1S C2S H2SB . . 109.7 ?
H2SA C2S H2SB . . 108.2 ?
C3S C2S C1S . . 110(3) ?
C3S C2S H2SA . . 109.7 ?
C3S C2S H2SB . . 109.7 ?
C2S C3S H3SA . . 111.9 ?
C2S C3S H3SB . . 111.9 ?
C2S C3S C4S . . 99(3) ?
H3SA C3S H3SB . . 109.6 ?
C4S C3S H3SA . . 111.9 ?
C4S C3S H3SB . . 111.9 ?
C3S C4S H4SA . . 113.2 ?
C3S C4S H4SB . . 113.2 ?
H4SA C4S H4SB . . 110.6 ?
C5S C4S C3S . . 92(3) ?
C5S C4S H4SA . . 113.2 ?
C5S C4S H4SB . . 113.2 ?
C4S C5S H5SA . . 109.5 ?
C4S C5S H5SB . . 109.5 ?
C4S C5S H5SC . . 109.5 ?
H5SA C5S H5SB . . 109.5 ?
H5SA C5S H5SC . . 109.5 ?
H5SB C5S H5SC . . 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 Cl1 . 2.5123(15) y
Ir1 Cl2 . 2.5088(16) y
Ir1 N3 . 2.031(5) y
Ir1 N4 . 2.034(5) y
Ir1 C37 . 2.001(6) y
Ir1 C55 . 2.015(6) y
Ir2 Cl1 . 2.4854(16) y
Ir2 Cl2 . 2.5218(15) y
Ir2 N1 . 2.043(5) y
Ir2 N2 . 2.034(5) y
Ir2 C1 . 1.983(7) y
Ir2 C19 . 1.994(6) y
F1 C10 . 1.364(7) ?
F2 C28 . 1.339(7) ?
F3 C46 . 1.365(7) ?
F4 C64 . 1.368(8) ?
N1 C7 . 1.358(8) ?
N1 C11 . 1.335(7) ?
N2 C25 . 1.359(8) ?
N2 C29 . 1.366(7) ?
N3 C43 . 1.345(7) ?
N3 C47 . 1.360(7) ?
N4 C61 . 1.377(8) ?
N4 C65 . 1.345(8) ?
C1 C2 . 1.398(8) ?
C1 C6 . 1.419(8) ?
C2 H2 . 0.9500 ?
C2 C3 . 1.389(8) ?
C3 C4 . 1.399(8) ?
C3 C12 . 1.470(8) ?
C4 C5 . 1.377(8) ?
C4 C18 . 1.545(10) ?
C4 C18B . 1.516(16) ?
C5 H5 . 0.9500 ?
C5 C6 . 1.396(9) ?
C6 C7 . 1.445(9) ?
C7 C8 . 1.400(9) ?
C8 H8 . 0.9500 ?
C8 C9 . 1.375(9) ?
C9 H9 . 0.9500 ?
C9 C10 . 1.354(9) ?
C10 C11 . 1.373(9) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.379(8) ?
C12 C17 . 1.380(9) ?
C13 H13 . 0.9500 ?
C13 C14 . 1.387(9) ?
C14 H14 . 0.9500 ?
C14 C15 . 1.378(10) ?
C15 H15 . 0.9500 ?
C15 C16 . 1.368(9) ?
C16 H16 . 0.9500 ?
C16 C17 . 1.380(9) ?
C17 C18 . 1.551(10) ?
C17 C18B . 1.563(16) ?
C19 C20 . 1.388(8) ?
C19 C24 . 1.417(9) ?
C20 H20 . 0.9500 ?
C20 C21 . 1.375(9) ?
C21 C22 . 1.388(9) ?
C21 C30 . 1.461(8) ?
C22 C23 . 1.383(9) ?
C22 C36 . 1.527(9) ?
C23 H23 . 0.9500 ?
C23 C24 . 1.382(9) ?
C24 C25 . 1.462(9) ?
C25 C26 . 1.389(9) ?
C26 H26 . 0.9500 ?
C26 C27 . 1.379(10) ?
C27 H27 . 0.9500 ?
C27 C28 . 1.382(10) ?
C28 C29 . 1.359(9) ?
C29 H29 . 0.9500 ?
C30 C31 . 1.414(9) ?
C30 C35 . 1.393(10) ?
C31 H31 . 0.9500 ?
C31 C32 . 1.386(9) ?
C32 H32 . 0.9500 ?
C32 C33 . 1.372(10) ?
C33 H33 . 0.9500 ?
C33 C34 . 1.364(10) ?
C34 H34 . 0.9500 ?
C34 C35 . 1.398(9) ?
C35 C36 . 1.513(10) ?
C36 C85 . 1.542(9) ?
C36 C91 . 1.542(9) ?
C37 C38 . 1.399(8) ?
C37 C42 . 1.418(8) ?
C38 H38 . 0.9500 ?
C38 C39 . 1.387(8) ?
C39 C40 . 1.403(8) ?
C39 C48 . 1.460(8) ?
C40 C41 . 1.382(8) ?
C40 C54 . 1.506(9) ?
C41 H41 . 0.9500 ?
C41 C42 . 1.394(8) ?
C42 C43 . 1.463(8) ?
C43 C44 . 1.379(8) ?
C44 H44 . 0.9500 ?
C44 C45 . 1.379(9) ?
C45 H45 . 0.9500 ?
C45 C46 . 1.356(9) ?
C46 C47 . 1.363(9) ?
C47 H47 . 0.9500 ?
C48 C49 . 1.378(8) ?
C48 C53 . 1.407(8) ?
C49 H49 . 0.9500 ?
C49 C50 . 1.409(8) ?
C50 H50 . 0.9500 ?
C50 C51 . 1.375(9) ?
C51 H51 . 0.9500 ?
C51 C52 . 1.385(9) ?
C52 H52 . 0.9500 ?
C52 C53 . 1.375(9) ?
C53 C54 . 1.512(9) ?
C54 C97 . 1.549(8) ?
C54 C103 . 1.535(8) ?
C55 C56 . 1.383(8) ?
C55 C60 . 1.406(8) ?
C56 H56 . 0.9500 ?
C56 C57 . 1.388(8) ?
C57 C58 . 1.398(9) ?
C57 C66 . 1.465(9) ?
C58 C59 . 1.366(9) ?
C58 C72 . 1.535(9) ?
C59 H59 . 0.9500 ?
C59 C60 . 1.398(9) ?
C60 C61 . 1.457(9) ?
C61 C62 . 1.379(9) ?
C62 H62 . 0.9500 ?
C62 C63 . 1.371(10) ?
C63 H63 . 0.9500 ?
C63 C64 . 1.361(10) ?
C64 C65 . 1.378(9) ?
C65 H65 . 0.9500 ?
C66 C67 . 1.383(9) ?
C66 C71 . 1.401(8) ?
C67 H67 . 0.9500 ?
C67 C68 . 1.400(9) ?
C68 H68 . 0.9500 ?
C68 C69 . 1.388(9) ?
C69 H69 . 0.9500 ?
C69 C70 . 1.354(10) ?
C70 H70 . 0.9500 ?
C70 C71 . 1.383(9) ?
C71 C72 . 1.525(10) ?
C72 C109 . 1.526(8) ?
C72 C115 . 1.548(8) ?
C82 H82C . 0.9900 ?
C82 H82D . 0.9900 ?
C82 H82A . 0.9900 ?
C82 H82B . 0.9900 ?
C82 C81 . 1.565(11) ?
C82 C83 . 1.453(12) ?
C82 C81B . 1.57(3) ?
C82 C83B . 1.502(14) ?
C85 H85A . 0.9900 ?
C85 H85B . 0.9900 ?
C85 C86 . 1.530(9) ?
C86 H86A . 0.9900 ?
C86 H86B . 0.9900 ?
C86 C87 . 1.523(9) ?
C87 H87A . 0.9900 ?
C87 H87B . 0.9900 ?
C87 C88 . 1.500(9) ?
C88 H88A . 0.9900 ?
C88 H88B . 0.9900 ?
C88 C89 . 1.537(9) ?
C89 H89A . 0.9900 ?
C89 H89B . 0.9900 ?
C89 C90 . 1.509(10) ?
C90 H90A . 0.9800 ?
C90 H90B . 0.9800 ?
C90 H90C . 0.9800 ?
C91 H91A . 0.9900 ?
C91 H91B . 0.9900 ?
C91 C92 . 1.488(9) ?
C92 H92A . 0.9900 ?
C92 H92B . 0.9900 ?
C92 H92C . 0.9900 ?
C92 H92D . 0.9900 ?
C92 C93 . 1.613(11) ?
C92 C93B . 1.522(13) ?
C97 H97A . 0.9900 ?
C97 H97B . 0.9900 ?
C97 C98 . 1.507(9) ?
C98 H98A . 0.9900 ?
C98 H98B . 0.9900 ?
C98 C99 . 1.532(8) ?
C99 H99A . 0.9900 ?
C99 H99B . 0.9900 ?
C99 C100 . 1.499(11) ?
C100 H10C . 0.9900 ?
C100 H10D . 0.9900 ?
C100 H10A . 0.9900 ?
C100 H10B . 0.9900 ?
C100 C101 . 1.555(12) ?
C100 C201 . 1.523(12) ?
C103 H10E . 0.9900 ?
C103 H10F . 0.9900 ?
C103 C104 . 1.516(9) ?
C104 H10G . 0.9903 ?
C104 H10H . 0.9900 ?
C104 C105 . 1.537(12) ?
C104 C205 . 1.534(14) ?
C109 H10I . 0.9900 ?
C109 H10J . 0.9900 ?
C109 C110 . 1.520(9) ?
C110 H11A . 0.9900 ?
C110 H11B . 0.9900 ?
C110 H11C . 0.9900 ?
C110 H11D . 0.9900 ?
C110 C111 . 1.526(11) ?
C110 C211 . 1.528(14) ?
C115 H11E . 0.9900 ?
C115 H11F . 0.9900 ?
C115 C116 . 1.499(9) ?
C116 H11G . 0.9900 ?
C116 H11H . 0.9900 ?
C116 H11I . 0.9900 ?
C116 H11J . 0.9900 ?
C116 C117 . 1.545(11) ?
C116 C217 . 1.555(13) ?
C18 C73 . 1.546(10) ?
C18 C79 . 1.536(9) ?
C18 C73B . 1.14(2) ?
C18 C79B . 1.99(2) ?
C18 C18B . 0.504(19) ?
C73 H73A . 0.9900 ?
C73 H73B . 0.9900 ?
C73 C74 . 1.529(11) ?
C73 C75B . 1.97(2) ?
C73 C73B . 0.86(2) ?
C73 C74B . 0.66(2) ?
C73 C18B . 2.02(2) ?
C74 H74A . 0.9900 ?
C74 H74B . 0.9900 ?
C74 C75A . 1.604(16) ?
C74 C75B . 1.94(3) ?
C74 C74B . 1.06(3) ?
C75A H75A . 0.9900 ?
C75A H75B . 0.9900 ?
C75A C76 . 1.609(18) ?
C76 H76A . 0.9900 ?
C76 H76B . 0.9900 ?
C76 C77 . 1.513(12) ?
C77 H77A . 0.9900 ?
C77 H77B . 0.9900 ?
C77 C78 . 1.525(13) ?
C78 H78A . 0.9800 ?
C78 H78B . 0.9800 ?
C78 H78C . 0.9800 ?
C79 H79A . 0.9900 ?
C79 H79B . 0.9900 ?
C79 C80 . 1.540(9) ?
C79 C73B . 1.66(2) ?
C79 C79B . 0.93(2) ?
C79 C18B . 1.265(17) ?
C80 H80A . 0.9900 ?
C80 H80B . 0.9900 ?
C80 C81 . 1.528(10) ?
C80 C79B . 0.68(2) ?
C80 C80B . 1.10(3) ?
C81 H81A . 0.9900 ?
C81 H81B . 0.9900 ?
C81 C79B . 2.00(2) ?
C81 C81B . 1.82(4) ?
C83 H83A . 0.9900 ?
C83 H83B . 0.9900 ?
C83 C84 . 1.579(12) ?
C83 C81B . 1.24(3) ?
C83 C83B . 1.49(4) ?
C84 H84A . 0.9800 ?
C84 H84B . 0.9800 ?
C84 H84C . 0.9800 ?
C84 C83B . 1.01(5) ?
C93 H93A . 0.9900 ?
C93 H93B . 0.9900 ?
C93 C94 . 1.505(12) ?
C94 H94A . 0.9900 ?
C94 H94B . 0.9900 ?
C94 C95 . 1.556(12) ?
C95 H95A . 0.9900 ?
C95 H95B . 0.9900 ?
C95 C96 . 1.516(12) ?
C96 H96A . 0.9800 ?
C96 H96B . 0.9800 ?
C96 H96C . 0.9800 ?
C101 H10K . 0.9900 ?
C101 H10L . 0.9900 ?
C101 C102 . 1.492(12) ?
C102 H10M . 0.9800 ?
C102 H10N . 0.9800 ?
C102 H10O . 0.9800 ?
C105 H10P . 0.9900 ?
C105 H10Q . 0.9900 ?
C105 C106 . 1.504(13) ?
C106 H10R . 0.9900 ?
C106 H10S . 0.9900 ?
C106 C107 . 1.484(11) ?
C107 H10T . 0.9900 ?
C107 H10U . 0.9900 ?
C107 C108 . 1.520(11) ?
C108 H10V . 0.9800 ?
C108 H10W . 0.9800 ?
C108 H10X . 0.9800 ?
C111 H11K . 0.9900 ?
C111 H11L . 0.9900 ?
C111 C112 . 1.530(12) ?
C112 H11M . 0.9900 ?
C112 H11N . 0.9900 ?
C112 C113 . 1.501(12) ?
C113 H11O . 0.9900 ?
C113 H11P . 0.9900 ?
C113 C114 . 1.514(12) ?
C114 H11Q . 0.9800 ?
C114 H11R . 0.9800 ?
C114 H11S . 0.9800 ?
C117 H11T . 0.9900 ?
C117 H11U . 0.9900 ?
C117 C118 . 1.497(12) ?
C118 H11V . 0.9900 ?
C118 H11W . 0.9900 ?
C118 C119 . 1.516(12) ?
C119 H11X . 0.9900 ?
C119 H11Y . 0.9900 ?
C119 C120 . 1.517(13) ?
C120 H12A . 0.9800 ?
C120 H12B . 0.9800 ?
C120 H12C . 0.9800 ?
C96B H96D . 0.9800 ?
C96B H96E . 0.9800 ?
C96B H96F . 0.9800 ?
C96B C95B . 1.461(14) ?
C211 H21A . 0.9900 ?
C211 H21B . 0.9900 ?
C211 C212 . 1.519(14) ?
C212 H21C . 0.9900 ?
C212 H21D . 0.9900 ?
C212 C213 . 1.504(14) ?
C213 H21E . 0.9900 ?
C213 H21F . 0.9900 ?
C213 C214 . 1.522(14) ?
C214 H21G . 0.9800 ?
C214 H21H . 0.9800 ?
C214 H21I . 0.9800 ?
C93B H93C . 0.9900 ?
C93B H93D . 0.9900 ?
C93B C94B . 1.566(14) ?
C94B H94C . 0.9900 ?
C94B H94D . 0.9900 ?
C94B C95B . 1.500(14) ?
C95B H95C . 0.9900 ?
C95B H95D . 0.9900 ?
C201 H20A . 0.9900 ?
C201 H20B . 0.9900 ?
C201 C202 . 1.46(2) ?
C202 H20C . 0.9800 ?
C202 H20D . 0.9800 ?
C202 H20E . 0.9800 ?
C217 H21J . 0.9900 ?
C217 H21K . 0.9900 ?
C217 C218 . 1.530(13) ?
C218 H21L . 0.9900 ?
C218 H21M . 0.9900 ?
C218 C219 . 1.533(13) ?
C219 H21N . 0.9900 ?
C219 H21O . 0.9900 ?
C219 C220 . 1.496(14) ?
C220 H22A . 0.9800 ?
C220 H22B . 0.9800 ?
C220 H22C . 0.9800 ?
C205 H20F . 0.9900 ?
C205 H20G . 0.9900 ?
C205 C206 . 1.527(15) ?
C206 H20H . 0.9900 ?
C206 H20I . 0.9900 ?
C206 C207 . 1.49(6) ?
C207 H20J . 0.9900 ?
C207 H20K . 0.9900 ?
C207 C208 . 1.49(2) ?
C208 H20L . 0.9800 ?
C208 H20M . 0.9800 ?
C208 H20N . 0.9800 ?
C75B H75C . 0.9900 ?
C75B H75D . 0.9900 ?
C75B C76B . 1.450(18) ?
C75B C74B . 1.523(18) ?
C78B H78D . 0.9800 ?
C78B H78E . 0.9800 ?
C78B H78F . 0.9800 ?
C78B C77B . 1.471(8) ?
C76B H76C . 0.9900 ?
C76B H76D . 0.9900 ?
C76B C77B . 1.525(13) ?
C77B H77C . 0.9900 ?
C77B H77D . 0.9900 ?
C73B H73C . 0.9900 ?
C73B H73D . 0.9900 ?
C73B C74B . 1.517(18) ?
C73B C18B . 1.483(17) ?
C74B H74C . 0.9900 ?
C74B H74D . 0.9900 ?
C79B H79C . 0.9900 ?
C79B H79D . 0.9900 ?
C79B C80B . 1.521(18) ?
C79B C18B . 1.533(17) ?
C80B H80C . 0.9900 ?
C80B H80D . 0.9900 ?
C80B C81B . 1.530(18) ?
C81B H81C . 0.9900 ?
C81B H81D . 0.9900 ?
C83B H83C . 0.9900 ?
C83B H83D . 0.9900 ?
C83B C84B . 1.501(15) ?
C84B H84D . 0.9800 ?
C84B H84E . 0.9800 ?
C84B H84F . 0.9800 ?
C1S H1SA . 0.9800 ?
C1S H1SB . 0.9800 ?
C1S H1SC . 0.9800 ?
C1S C2S . 1.53(2) ?
C2S H2SA . 0.9900 ?
C2S H2SB . 0.9900 ?
C2S C3S . 1.52(3) ?
C3S H3SA . 0.9900 ?
C3S H3SB . 0.9900 ?
C3S C4S . 1.55(3) ?
C4S H4SA . 0.9900 ?
C4S H4SB . 0.9900 ?
C4S C5S . 1.54(3) ?
C5S H5SA . 0.9800 ?
C5S H5SB . 0.9800 ?
C5S H5SC . 0.9800 ?
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
Ir1 N3 C43 C42 . . . . -4.3(6) ?
Ir1 N3 C43 C44 . . . . 169.7(5) ?
Ir1 N3 C47 C46 . . . . -170.6(5) ?
Ir1 N4 C61 C60 . . . . 5.1(8) ?
Ir1 N4 C61 C62 . . . . -175.5(6) ?
Ir1 N4 C65 C64 . . . . 171.9(6) ?
Ir1 C37 C38 C39 . . . . -168.8(4) ?
Ir1 C37 C42 C41 . . . . 168.5(5) ?
Ir1 C37 C42 C43 . . . . -9.1(7) ?
Ir1 C55 C56 C57 . . . . -173.3(5) ?
Ir1 C55 C60 C59 . . . . 174.0(6) ?
Ir1 C55 C60 C61 . . . . -6.6(8) ?
Ir2 N1 C7 C6 . . . . -1.5(7) ?
Ir2 N1 C7 C8 . . . . 177.1(5) ?
Ir2 N1 C11 C10 . . . . -178.4(4) ?
Ir2 N2 C25 C24 . . . . -5.5(8) ?
Ir2 N2 C25 C26 . . . . 173.7(7) ?
Ir2 N2 C29 C28 . . . . -173.1(6) ?
Ir2 C1 C2 C3 . . . . -175.3(5) ?
Ir2 C1 C6 C5 . . . . 175.1(5) ?
Ir2 C1 C6 C7 . . . . -1.9(8) ?
Ir2 C19 C20 C21 . . . . -174.9(5) ?
Ir2 C19 C24 C23 . . . . 177.3(6) ?
Ir2 C19 C24 C25 . . . . -2.4(8) ?
F1 C10 C11 N1 . . . . -177.2(5) ?
F2 C28 C29 N2 . . . . -179.9(7) ?
F3 C46 C47 N3 . . . . -178.3(5) ?
F4 C64 C65 N4 . . . . -174.4(6) ?
N1 C7 C8 C9 . . . . 0.7(11) ?
N2 C25 C26 C27 . . . . -1.6(14) ?
N3 C43 C44 C45 . . . . 1.8(10) ?
N4 C61 C62 C63 . . . . 2.8(13) ?
C1 C2 C3 C4 . . . . -0.2(9) ?
C1 C2 C3 C12 . . . . 179.7(6) ?
C1 C6 C7 N1 . . . . 2.2(9) ?
C1 C6 C7 C8 . . . . -176.2(7) ?
C2 C1 C6 C5 . . . . -2.9(10) ?
C2 C1 C6 C7 . . . . -180.0(6) ?
C2 C3 C4 C5 . . . . -1.8(10) ?
C2 C3 C4 C18 . . . . 171.7(6) ?
C2 C3 C4 C18B . . . . -168.1(9) ?
C2 C3 C12 C13 . . . . 3.5(11) ?
C2 C3 C12 C17 . . . . -178.5(6) ?
C3 C4 C5 C6 . . . . 1.4(10) ?
C3 C4 C18 C17 . . . . 10.8(8) ?
C3 C4 C18 C73 . . . . -110.1(8) ?
C3 C4 C18 C79 . . . . 125.9(7) ?
C3 C4 C18 C73B . . . . -146.9(16) ?
C3 C4 C18 C79B . . . . 105.6(9) ?
C3 C4 C18 C18B . . . . 91(2) ?
C3 C4 C18B C18 . . . . -97(2) ?
C3 C4 C18B C79 . . . . 146.8(17) ?
C3 C4 C18B C73B . . . . -130.3(12) ?
C3 C12 C13 C14 . . . . 176.3(6) ?
C3 C12 C17 C16 . . . . -178.4(6) ?
C3 C12 C17 C18 . . . . 6.0(8) ?
C3 C12 C17 C18B . . . . -13.7(10) ?
C4 C3 C12 C13 . . . . -176.6(6) ?
C4 C3 C12 C17 . . . . 1.4(7) ?
C4 C5 C6 C1 . . . . 1.0(10) ?
C4 C5 C6 C7 . . . . 177.8(6) ?
C4 C18 C73 C74 . . . . 42.8(12) ?
C4 C18 C73 C73B . . . . -117(3) ?
C4 C18 C73 C74B . . . . 69(7) ?
C4 C18 C73 C18B . . . . -117(6) ?
C4 C18 C79 C80 . . . . -59.9(10) ?
C4 C18 C79 C73B . . . . 122.3(16) ?
C4 C18 C79 C79B . . . . -50(2) ?
C4 C18 C79 C18B . . . . -48(2) ?
C4 C18 C73B C73 . . . . 82(3) ?
C4 C18 C73B C79 . . . . -107.0(12) ?
C4 C18 C73B C74B . . . . 83(2) ?
C4 C18 C73B C18B . . . . -98(3) ?
C4 C18 C18B C79 . . . . 135.1(19) ?
C4 C18 C18B C73B . . . . 124(2) ?
C5 C4 C18 C17 . . . . -176.4(7) ?
C5 C4 C18 C73 . . . . 62.6(11) ?
C5 C4 C18 C79 . . . . -61.4(10) ?
C5 C4 C18 C73B . . . . 25.8(18) ?
C5 C4 C18 C79B . . . . -81.6(11) ?
C5 C4 C18 C18B . . . . -97(2) ?
C5 C4 C18B C18 . . . . 98(2) ?
C5 C4 C18B C79 . . . . -18(3) ?
C5 C4 C18B C73B . . . . 64.9(17) ?
C5 C6 C7 N1 . . . . -174.8(6) ?
C5 C6 C7 C8 . . . . 6.8(11) ?
C6 C1 C2 C3 . . . . 2.5(9) ?
C6 C7 C8 C9 . . . . 179.1(7) ?
C7 N1 C11 C10 . . . . -3.8(9) ?
C7 C8 C9 C10 . . . . -1.4(11) ?
C8 C9 C10 F1 . . . . 179.8(6) ?
C8 C9 C10 C11 . . . . -0.5(11) ?
C9 C10 C11 N1 . . . . 3.1(10) ?
C11 N1 C7 C6 . . . . -176.6(6) ?
C11 N1 C7 C8 . . . . 2.0(9) ?
C12 C3 C4 C5 . . . . 178.3(6) ?
C12 C3 C4 C18 . . . . -8.2(8) ?
C12 C3 C4 C18B . . . . 12.0(10) ?
C12 C13 C14 C15 . . . . 1.5(10) ?
C12 C17 C18 C4 . . . . -10.0(8) ?
C12 C17 C18 C73 . . . . 111.5(8) ?
C12 C17 C18 C79 . . . . -127.2(7) ?
C12 C17 C18 C73B . . . . 145.5(18) ?
C12 C17 C18 C79B . . . . -104.6(9) ?
C12 C17 C18 C18B . . . . -86(2) ?
C13 C12 C17 C16 . . . . -0.2(10) ?
C13 C12 C17 C18 . . . . -175.8(6) ?
C13 C12 C17 C18B . . . . 164.5(9) ?
C13 C14 C15 C16 . . . . 0.2(11) ?
C14 C15 C16 C17 . . . . -1.9(11) ?
C15 C16 C17 C12 . . . . 2.0(10) ?
C15 C16 C17 C18 . . . . 176.8(7) ?
C15 C16 C17 C18B . . . . -159.7(11) ?
C16 C17 C18 C4 . . . . 174.8(6) ?
C16 C17 C18 C73 . . . . -63.7(10) ?
C16 C17 C18 C79 . . . . 57.6(10) ?
C16 C17 C18 C73B . . . . -30(2) ?
C16 C17 C18 C79B . . . . 80.2(10) ?
C16 C17 C18 C18B . . . . 99(2) ?
C17 C12 C13 C14 . . . . -1.5(9) ?
C17 C18 C73 C74 . . . . -69.3(11) ?
C17 C18 C73 C73B . . . . 131(3) ?
C17 C18 C73 C74B . . . . -43(7) ?
C17 C18 C73 C18B . . . . 131(6) ?
C17 C18 C79 C80 . . . . 48.3(10) ?
C17 C18 C79 C73B . . . . -129.4(16) ?
C17 C18 C79 C79B . . . . 58(2) ?
C17 C18 C79 C18B . . . . 60(2) ?
C17 C18 C73B C73 . . . . -68(3) ?
C17 C18 C73B C79 . . . . 103.1(14) ?
C17 C18 C73B C74B . . . . -67(3) ?
C17 C18 C73B C18B . . . . 112(3) ?
C17 C18 C18B C4 . . . . 100.6(7) ?
C17 C18 C18B C79 . . . . -124.3(18) ?
C17 C18 C18B C73B . . . . -135(2) ?
C19 C20 C21 C22 . . . . -0.6(11) ?
C19 C20 C21 C30 . . . . -179.3(7) ?
C19 C24 C25 N2 . . . . 5.2(10) ?
C19 C24 C25 C26 . . . . -173.9(8) ?
C20 C19 C24 C23 . . . . 3.9(11) ?
C20 C19 C24 C25 . . . . -175.8(6) ?
C20 C21 C22 C23 . . . . 2.6(12) ?
C20 C21 C22 C36 . . . . -179.1(7) ?
C20 C21 C30 C31 . . . . -2.5(13) ?
C20 C21 C30 C35 . . . . 176.7(8) ?
C21 C22 C23 C24 . . . . -1.3(12) ?
C21 C22 C36 C35 . . . . 2.1(8) ?
C21 C22 C36 C85 . . . . -116.0(7) ?
C21 C22 C36 C91 . . . . 122.1(8) ?
C21 C30 C31 C32 . . . . 176.9(7) ?
C21 C30 C35 C34 . . . . -175.7(7) ?
C21 C30 C35 C36 . . . . 3.6(9) ?
C22 C21 C30 C31 . . . . 178.7(7) ?
C22 C21 C30 C35 . . . . -2.1(9) ?
C22 C23 C24 C19 . . . . -2.0(12) ?
C22 C23 C24 C25 . . . . 177.7(7) ?
C22 C36 C85 C86 . . . . 57.4(9) ?
C22 C36 C91 C92 . . . . -55.7(10) ?
C23 C22 C36 C35 . . . . -179.9(8) ?
C23 C22 C36 C85 . . . . 62.0(11) ?
C23 C22 C36 C91 . . . . -59.9(11) ?
C23 C24 C25 N2 . . . . -174.5(7) ?
C23 C24 C25 C26 . . . . 6.4(14) ?
C24 C19 C20 C21 . . . . -2.6(10) ?
C24 C25 C26 C27 . . . . 177.4(9) ?
C25 N2 C29 C28 . . . . -2.0(11) ?
C25 C26 C27 C28 . . . . 1.5(16) ?
C26 C27 C28 F2 . . . . -179.8(9) ?
C26 C27 C28 C29 . . . . -1.6(15) ?
C27 C28 C29 N2 . . . . 1.9(13) ?
C29 N2 C25 C24 . . . . -177.3(6) ?
C29 N2 C25 C26 . . . . 1.9(11) ?
C30 C21 C22 C23 . . . . -178.4(7) ?
C30 C21 C22 C36 . . . . -0.2(9) ?
C30 C31 C32 C33 . . . . -1.5(11) ?
C30 C35 C36 C22 . . . . -3.4(8) ?
C30 C35 C36 C85 . . . . 114.4(7) ?
C30 C35 C36 C91 . . . . -124.7(7) ?
C31 C30 C35 C34 . . . . 3.7(11) ?
C31 C30 C35 C36 . . . . -177.1(7) ?
C31 C32 C33 C34 . . . . 4.0(12) ?
C32 C33 C34 C35 . . . . -2.5(11) ?
C33 C34 C35 C30 . . . . -1.3(11) ?
C33 C34 C35 C36 . . . . 179.6(7) ?
C34 C35 C36 C22 . . . . 175.7(8) ?
C34 C35 C36 C85 . . . . -66.5(10) ?
C34 C35 C36 C91 . . . . 54.4(11) ?
C35 C30 C31 C32 . . . . -2.3(11) ?
C35 C36 C85 C86 . . . . -53.4(9) ?
C35 C36 C91 C92 . . . . 57.2(9) ?
C36 C22 C23 C24 . . . . -179.2(8) ?
C36 C85 C86 C87 . . . . -178.8(6) ?
C36 C91 C92 C93 . . . . -165.7(9) ?
C36 C91 C92 C93B . . . . 176.1(15) ?
C37 C38 C39 C40 . . . . 0.4(9) ?
C37 C38 C39 C48 . . . . 178.2(6) ?
C37 C42 C43 N3 . . . . 8.8(8) ?
C37 C42 C43 C44 . . . . -164.9(6) ?
C38 C37 C42 C41 . . . . -3.8(9) ?
C38 C37 C42 C43 . . . . 178.5(5) ?
C38 C39 C40 C41 . . . . -1.6(9) ?
C38 C39 C40 C54 . . . . 177.9(5) ?
C38 C39 C48 C49 . . . . 1.3(11) ?
C38 C39 C48 C53 . . . . -178.0(6) ?
C39 C40 C41 C42 . . . . 0.0(9) ?
C39 C40 C54 C53 . . . . 0.6(7) ?
C39 C40 C54 C97 . . . . -117.0(6) ?
C39 C40 C54 C103 . . . . 118.9(6) ?
C39 C48 C49 C50 . . . . -179.2(6) ?
C39 C48 C53 C52 . . . . 179.4(5) ?
C39 C48 C53 C54 . . . . 0.3(7) ?
C40 C39 C48 C49 . . . . 179.3(6) ?
C40 C39 C48 C53 . . . . 0.1(7) ?
C40 C41 C42 C37 . . . . 2.7(9) ?
C40 C41 C42 C43 . . . . -179.8(6) ?
C40 C54 C97 C98 . . . . 61.8(8) ?
C40 C54 C103 C104 . . . . -59.3(8) ?
C41 C40 C54 C53 . . . . 180.0(6) ?
C41 C40 C54 C97 . . . . 62.4(9) ?
C41 C40 C54 C103 . . . . -61.7(9) ?
C41 C42 C43 N3 . . . . -168.8(5) ?
C41 C42 C43 C44 . . . . 17.5(10) ?
C42 C37 C38 C39 . . . . 2.2(9) ?
C42 C43 C44 C45 . . . . 175.1(6) ?
C43 N3 C47 C46 . . . . 1.1(9) ?
C43 C44 C45 C46 . . . . 0.5(10) ?
C44 C45 C46 F3 . . . . 177.5(6) ?
C44 C45 C46 C47 . . . . -2.0(10) ?
C45 C46 C47 N3 . . . . 1.2(10) ?
C47 N3 C43 C42 . . . . -176.7(5) ?
C47 N3 C43 C44 . . . . -2.6(9) ?
C48 C39 C40 C41 . . . . -179.9(5) ?
C48 C39 C40 C54 . . . . -0.4(7) ?
C48 C49 C50 C51 . . . . 0.6(9) ?
C48 C53 C54 C40 . . . . -0.6(7) ?
C48 C53 C54 C97 . . . . 118.3(6) ?
C48 C53 C54 C103 . . . . -120.5(6) ?
C49 C48 C53 C52 . . . . 0.0(9) ?
C49 C48 C53 C54 . . . . -179.0(5) ?
C49 C50 C51 C52 . . . . -1.1(10) ?
C50 C51 C52 C53 . . . . 1.1(10) ?
C51 C52 C53 C48 . . . . -0.5(9) ?
C51 C52 C53 C54 . . . . 178.3(6) ?
C52 C53 C54 C40 . . . . -179.5(6) ?
C52 C53 C54 C97 . . . . -60.6(9) ?
C52 C53 C54 C103 . . . . 60.6(9) ?
C53 C48 C49 C50 . . . . 0.0(9) ?
C53 C54 C97 C98 . . . . -50.3(8) ?
C53 C54 C103 C104 . . . . 53.5(8) ?
C54 C40 C41 C42 . . . . -179.3(6) ?
C54 C97 C98 C99 . . . . -177.4(7) ?
C54 C103 C104 C105 . . . . 175.9(18) ?
C54 C103 C104 C205 . . . . -173(4) ?
C55 C56 C57 C58 . . . . -0.9(11) ?
C55 C56 C57 C66 . . . . 178.4(7) ?
C55 C60 C61 N4 . . . . 1.0(10) ?
C55 C60 C61 C62 . . . . -178.3(8) ?
C56 C55 C60 C59 . . . . -2.4(11) ?
C56 C55 C60 C61 . . . . 177.0(6) ?
C56 C57 C58 C59 . . . . -1.0(12) ?
C56 C57 C58 C72 . . . . 177.5(6) ?
C56 C57 C66 C67 . . . . 1.3(13) ?
C56 C57 C66 C71 . . . . -178.7(7) ?
C57 C58 C59 C60 . . . . 1.2(12) ?
C57 C58 C72 C71 . . . . 2.4(8) ?
C57 C58 C72 C109 . . . . -118.0(7) ?
C57 C58 C72 C115 . . . . 122.1(7) ?
C57 C66 C67 C68 . . . . 179.5(7) ?
C57 C66 C71 C70 . . . . 179.1(6) ?
C57 C66 C71 C72 . . . . 1.0(8) ?
C58 C57 C66 C67 . . . . -179.3(7) ?
C58 C57 C66 C71 . . . . 0.6(8) ?
C58 C59 C60 C55 . . . . 0.5(12) ?
C58 C59 C60 C61 . . . . -178.9(7) ?
C58 C72 C109 C110 . . . . 61.2(9) ?
C58 C72 C115 C116 . . . . -62.4(9) ?
C59 C58 C72 C71 . . . . -179.3(8) ?
C59 C58 C72 C109 . . . . 60.4(11) ?
C59 C58 C72 C115 . . . . -59.6(11) ?
C59 C60 C61 N4 . . . . -179.6(7) ?
C59 C60 C61 C62 . . . . 1.1(13) ?
C60 C55 C56 C57 . . . . 2.6(10) ?
C60 C61 C62 C63 . . . . -177.9(8) ?
C61 N4 C65 C64 . . . . -0.7(10) ?
C61 C62 C63 C64 . . . . -0.4(14) ?
C62 C63 C64 F4 . . . . 174.9(8) ?
C62 C63 C64 C65 . . . . -2.7(14) ?
C63 C64 C65 N4 . . . . 3.3(13) ?
C65 N4 C61 C60 . . . . 178.4(6) ?
C65 N4 C61 C62 . . . . -2.2(11) ?
C66 C57 C58 C59 . . . . 179.6(7) ?
C66 C57 C58 C72 . . . . -1.9(9) ?
C66 C67 C68 C69 . . . . 1.0(10) ?
C66 C71 C72 C58 . . . . -2.0(8) ?
C66 C71 C72 C109 . . . . 117.6(7) ?
C66 C71 C72 C115 . . . . -120.5(6) ?
C67 C66 C71 C70 . . . . -1.0(11) ?
C67 C66 C71 C72 . . . . -179.1(6) ?
C67 C68 C69 C70 . . . . -0.2(11) ?
C68 C69 C70 C71 . . . . -1.2(11) ?
C69 C70 C71 C66 . . . . 1.8(11) ?
C69 C70 C71 C72 . . . . 179.5(7) ?
C70 C71 C72 C58 . . . . -179.9(7) ?
C70 C71 C72 C109 . . . . -60.3(10) ?
C70 C71 C72 C115 . . . . 61.6(10) ?
C71 C66 C67 C68 . . . . -0.4(10) ?
C71 C72 C109 C110 . . . . -52.4(9) ?
C71 C72 C115 C116 . . . . 50.5(9) ?
C72 C58 C59 C60 . . . . -177.0(8) ?
C72 C109 C110 C111 . . . . -179.9(13) ?
C72 C109 C110 C211 . . . . -169(2) ?
C72 C115 C116 C117 . . . . 171.1(11) ?
C72 C115 C116 C217 . . . . 178(2) ?
C82 C81 C81B C83 . . . . -40.6(17) ?
C82 C81 C81B C80B . . . . 137(2) ?
C82 C83 C84 C83B . . . . -27(4) ?
C82 C83 C81B C81 . . . . 37.3(14) ?
C82 C83 C83B C84 . . . . 149(5) ?
C82 C83 C83B C84B . . . . 2E1(2) ?
C85 C36 C91 C92 . . . . -179.6(7) ?
C85 C86 C87 C88 . . . . -173.5(7) ?
C86 C87 C88 C89 . . . . 177.3(7) ?
C87 C88 C89 C90 . . . . -175.8(8) ?
C91 C36 C85 C86 . . . . -177.0(7) ?
C91 C92 C93 C94 . . . . -59.9(17) ?
C91 C92 C93B C94B . . . . 173(2) ?
C92 C93 C94 C95 . . . . -159.0(13) ?
C92 C93B C94B C95B . . . . -149(3) ?
C97 C54 C103 C104 . . . . 175.2(6) ?
C97 C98 C99 C100 . . . . -170.0(8) ?
C98 C99 C100 C101 . . . . -170.8(9) ?
C98 C99 C100 C201 . . . . 153(2) ?
C99 C100 C101 C102 . . . . -81.1(17) ?
C99 C100 C201 C202 . . . . 36(4) ?
C103 C54 C97 C98 . . . . -172.2(6) ?
C103 C104 C105 C106 . . . . -178(2) ?
C103 C104 C205 C206 . . . . 147(6) ?
C104 C105 C106 C107 . . . . -8(6) ?
C104 C205 C206 C207 . . . . -169(6) ?
C109 C72 C115 C116 . . . . 175.2(7) ?
C109 C110 C111 C112 . . . . -168.9(15) ?
C109 C110 C211 C212 . . . . 169(2) ?
C110 C111 C112 C113 . . . . -167.5(17) ?
C110 C211 C212 C213 . . . . 167(3) ?
C115 C72 C109 C110 . . . . -177.0(7) ?
C115 C116 C117 C118 . . . . -179.8(13) ?
C115 C116 C217 C218 . . . . 172(2) ?
C116 C117 C118 C119 . . . . -179.5(14) ?
C116 C217 C218 C219 . . . . -172(3) ?
C18 C4 C5 C6 . . . . -170.9(7) ?
C18 C4 C18B C79 . . . . -116(3) ?
C18 C4 C18B C73B . . . . -33.6(19) ?
C18 C73 C74 C75A . . . . -98.3(11) ?
C18 C73 C74 C75B . . . . -173.0(13) ?
C18 C73 C74 C74B . . . . 153(6) ?
C18 C73 C73B C79 . . . . -24(7) ?
C18 C73 C73B C74B . . . . -16E1(2) ?
C18 C73 C73B C18B . . . . 0.0(9) ?
C18 C73 C74B C74 . . . . -44(9) ?
C18 C73 C74B C75B . . . . -172(2) ?
C18 C73 C74B C73B . . . . 16E1(3) ?
C18 C79 C80 C81 . . . . 174.4(9) ?
C18 C79 C80 C79B . . . . 42(7) ?
C18 C79 C80 C80B . . . . 32(3) ?
C18 C79 C73B C73 . . . . 27(8) ?
C18 C79 C73B C74B . . . . 41(8) ?
C18 C79 C73B C18B . . . . -3.4(11) ?
C18 C79 C79B C80 . . . . -141(6) ?
C18 C79 C79B C81 . . . . -177.1(14) ?
C18 C79 C79B C18B . . . . 0.6(9) ?
C18 C79 C18B C4 . . . . 104(3) ?
C18 C79 C18B C73B . . . . 7(2) ?
C18 C73B C74B C73 . . . . -2E1(2) ?
C18 C73B C74B C74 . . . . -42(5) ?
C18 C73B C74B C75B . . . . -169(2) ?
C18 C73B C18B C4 . . . . 59(3) ?
C18 C73B C18B C79 . . . . -169(3) ?
C18 C79B C80B C80 . . . . -148(4) ?
C18 C79B C80B C81B . . . . 179(2) ?
C73 C18 C79 C80 . . . . 172.7(9) ?
C73 C18 C79 C73B . . . . -5.0(15) ?
C73 C18 C79 C79B . . . . -177(2) ?
C73 C18 C79 C18B . . . . -175(3) ?
C73 C18 C73B C79 . . . . 171(3) ?
C73 C18 C73B C74B . . . . 1.7(19) ?
C73 C18 C73B C18B . . . . -180(3) ?
C73 C18 C18B C4 . . . . -124(5) ?
C73 C18 C18B C79 . . . . 11(7) ?
C73 C18 C18B C73B . . . . 0(4) ?
C73 C74 C75A C76 . . . . 163.6(11) ?
C73 C74 C74B C75B . . . . 139(6) ?
C73 C74 C74B C73B . . . . 3(3) ?
C73 C75B C76B C77B . . . . 179(2) ?
C73 C75B C74B C74 . . . . -138(7) ?
C73 C75B C74B C73B . . . . 4(3) ?
C73 C73B C74B C74 . . . . -22(19) ?
C73 C73B C74B C75B . . . . -15E1(2) ?
C73 C73B C18B C4 . . . . 59(3) ?
C73 C73B C18B C18 . . . . 0(3) ?
C73 C73B C18B C79 . . . . -169(3) ?
C74 C73 C73B C18 . . . . -48(6) ?
C74 C73 C73B C79 . . . . -73(11) ?
C74 C73 C73B C74B . . . . 15E1(2) ?
C74 C73 C73B C18B . . . . -48(6) ?
C74 C73 C74B C75B . . . . -127(8) ?
C74 C73 C74B C73B . . . . -159(17) ?
C74 C75A C76 C77 . . . . 177.6(12) ?
C74 C75B C76B C77B . . . . -166(2) ?
C74 C75B C74B C73 . . . . 138(7) ?
C74 C75B C74B C73B . . . . 142(4) ?
C75A C74 C74B C73 . . . . -80(5) ?
C75A C74 C74B C75B . . . . 58(2) ?
C75A C74 C74B C73B . . . . -77(4) ?
C75A C76 C77 C78 . . . . -173.9(12) ?
C79 C18 C73 C74 . . . . 168.9(9) ?
C79 C18 C73 C73B . . . . 9(3) ?
C79 C18 C73 C74B . . . . -165(6) ?
C79 C18 C73 C18B . . . . 9(5) ?
C79 C18 C73B C73 . . . . -171(3) ?
C79 C18 C73B C74B . . . . -170(2) ?
C79 C18 C73B C18B . . . . 9(3) ?
C79 C18 C18B C4 . . . . -135.1(19) ?
C79 C18 C18B C73B . . . . -11(3) ?
C79 C80 C81 C82 . . . . 155.5(9) ?
C79 C80 C81 C79B . . . . -18(3) ?
C79 C80 C81 C81B . . . . -162.7(15) ?
C79 C80 C79B C18 . . . . -103(11) ?
C79 C80 C79B C81 . . . . 56(8) ?
C79 C80 C79B C80B . . . . -172(6) ?
C79 C80 C79B C18B . . . . -114(11) ?
C79 C80 C80B C79B . . . . 4(3) ?
C79 C80 C80B C81B . . . . 155.8(18) ?
C79 C73B C74B C73 . . . . -6E1(2) ?
C79 C73B C74B C74 . . . . -79(10) ?
C79 C73B C74B C75B . . . . 154(7) ?
C79 C73B C18B C4 . . . . -131.6(13) ?
C79 C73B C18B C18 . . . . 169(3) ?
C80 C79 C73B C18 . . . . -5(4) ?
C80 C79 C73B C73 . . . . 22(11) ?
C80 C79 C73B C74B . . . . 35(10) ?
C80 C79 C73B C18B . . . . -9(3) ?
C80 C79 C79B C18 . . . . 141(6) ?
C80 C79 C79B C81 . . . . -36(5) ?
C80 C79 C79B C18B . . . . 142(7) ?
C80 C79 C18B C4 . . . . -86(2) ?
C80 C79 C18B C18 . . . . 169(2) ?
C80 C79 C18B C73B . . . . 176.6(13) ?
C80 C81 C81B C82 . . . . -130.0(14) ?
C80 C81 C81B C83 . . . . -171(2) ?
C80 C81 C81B C80B . . . . 6.7(17) ?
C80 C79B C80B C81B . . . . -33(4) ?
C80 C80B C81B C82 . . . . 29(4) ?
C80 C80B C81B C81 . . . . -9(2) ?
C81 C82 C83 C84 . . . . 173.9(12) ?
C81 C82 C83 C81B . . . . -46(2) ?
C81 C82 C83 C83B . . . . 155(3) ?
C81 C82 C81B C83 . . . . 133(2) ?
C81 C82 C81B C80B . . . . -48(2) ?
C81 C82 C83B C83 . . . . -64(5) ?
C81 C82 C83B C84 . . . . -102(8) ?
C81 C82 C83B C84B . . . . 121(4) ?
C81 C80 C79B C18 . . . . -160(4) ?
C81 C80 C79B C79 . . . . -56(8) ?
C81 C80 C79B C80B . . . . 132(4) ?
C81 C80 C79B C18B . . . . -170(4) ?
C81 C80 C80B C79B . . . . -141(4) ?
C81 C80 C80B C81B . . . . 11(3) ?
C81 C79B C80B C80 . . . . 29(3) ?
C81 C79B C80B C81B . . . . -4(3) ?
C83 C82 C81 C80 . . . . 86.9(14) ?
C83 C82 C81 C79B . . . . 89.3(17) ?
C83 C82 C81 C81B . . . . 34.5(16) ?
C83 C82 C81B C81 . . . . -133(2) ?
C83 C82 C81B C80B . . . . 178(4) ?
C83 C82 C83B C84 . . . . -38(5) ?
C83 C82 C83B C84B . . . . -175(5) ?
C83 C84 C83B C82 . . . . 33(4) ?
C83 C84 C83B C84B . . . . 168(5) ?
C84 C83 C81B C82 . . . . 75(3) ?
C84 C83 C81B C81 . . . . 112(3) ?
C84 C83 C83B C82 . . . . -149(5) ?
C84 C83 C83B C84B . . . . -13E1(2) ?
C93 C94 C95 C96 . . . . 177.5(14) ?
C105 C106 C107 C108 . . . . 172(3) ?
C111 C112 C113 C114 . . . . 80(3) ?
C117 C118 C119 C120 . . . . 176.3(16) ?
C211 C212 C213 C214 . . . . -173(3) ?
C93B C94B C95B C96B . . . . -68(5) ?
C217 C218 C219 C220 . . . . -55(4) ?
C205 C206 C207 C208 . . . . -176(7) ?
C75B C73 C74 C75A . . . . 74.7(13) ?
C75B C73 C74 C74B . . . . -34(5) ?
C75B C73 C73B C18 . . . . -172.5(15) ?
C75B C73 C73B C79 . . . . 163(7) ?
C75B C73 C73B C74B . . . . 3E1(2) ?
C75B C73 C73B C18B . . . . -172.5(15) ?
C75B C73 C74B C74 . . . . 127(8) ?
C75B C73 C74B C73B . . . . -3E1(2) ?
C75B C74 C75A C76 . . . . -132.3(13) ?
C75B C74 C74B C73 . . . . -139(6) ?
C75B C74 C74B C73B . . . . -136(5) ?
C75B C76B C77B C78B . . . . 146(3) ?
C76B C75B C74B C73 . . . . 172(5) ?
C76B C75B C74B C74 . . . . 34(4) ?
C76B C75B C74B C73B . . . . 176(3) ?
C73B C18 C73 C74 . . . . 160(3) ?
C73B C18 C73 C74B . . . . -173(7) ?
C73B C18 C73 C18B . . . . 0(6) ?
C73B C18 C79 C80 . . . . 177.7(16) ?
C73B C18 C79 C79B . . . . -172(2) ?
C73B C18 C79 C18B . . . . -170(3) ?
C73B C18 C18B C4 . . . . -124(2) ?
C73B C18 C18B C79 . . . . 11(3) ?
C73B C73 C74 C75A . . . . -61(5) ?
C73B C73 C74 C75B . . . . -136(5) ?
C73B C73 C74 C74B . . . . -170(8) ?
C73B C73 C74B C74 . . . . 159(17) ?
C73B C73 C74B C75B . . . . 3E1(2) ?
C73B C79 C80 C81 . . . . 178(3) ?
C73B C79 C80 C79B . . . . 46(8) ?
C73B C79 C80 C80B . . . . 36(4) ?
C73B C79 C79B C18 . . . . -9(3) ?
C73B C79 C79B C80 . . . . -150(5) ?
C73B C79 C79B C81 . . . . 174(2) ?
C73B C79 C79B C18B . . . . -8(3) ?
C73B C79 C18B C4 . . . . 97(2) ?
C73B C79 C18B C18 . . . . -7(2) ?
C74B C73 C74 C75A . . . . 108(5) ?
C74B C73 C74 C75B . . . . 34(5) ?
C74B C73 C73B C18 . . . . 16E1(2) ?
C74B C73 C73B C79 . . . . 137(19) ?
C74B C73 C73B C18B . . . . 16E1(2) ?
C74B C74 C75A C76 . . . . -174.1(19) ?
C74B C75B C76B C77B . . . . 176(3) ?
C74B C73B C18B C4 . . . . 61(3) ?
C74B C73B C18B C18 . . . . 2(3) ?
C74B C73B C18B C79 . . . . -167(3) ?
C79B C18 C73 C74 . . . . 167.2(13) ?
C79B C18 C73 C73B . . . . 7(3) ?
C79B C18 C73 C74B . . . . -166(6) ?
C79B C18 C73 C18B . . . . 7(5) ?
C79B C18 C79 C80 . . . . -10(2) ?
C79B C18 C79 C73B . . . . 172(2) ?
C79B C18 C79 C18B . . . . 2(3) ?
C79B C18 C73B C73 . . . . -175(2) ?
C79B C18 C73B C79 . . . . -3.5(11) ?
C79B C18 C73B C74B . . . . -173(2) ?
C79B C18 C73B C18B . . . . 5(3) ?
C79B C18 C18B C4 . . . . -137(5) ?
C79B C18 C18B C79 . . . . -2(4) ?
C79B C18 C18B C73B . . . . -14(7) ?
C79B C79 C80 C81 . . . . 132(7) ?
C79B C79 C80 C80B . . . . -11(7) ?
C79B C79 C73B C18 . . . . 13(4) ?
C79B C79 C73B C73 . . . . 40(10) ?
C79B C79 C73B C74B . . . . 54(10) ?
C79B C79 C73B C18B . . . . 10(4) ?
C79B C79 C18B C4 . . . . -78(3) ?
C79B C79 C18B C18 . . . . 178(3) ?
C79B C79 C18B C73B . . . . -174(2) ?
C79B C80 C81 C82 . . . . 173(3) ?
C79B C80 C81 C81B . . . . -145(4) ?
C79B C80 C80B C81B . . . . 152(3) ?
C79B C81 C81B C82 . . . . -139.2(14) ?
C79B C81 C81B C83 . . . . -180(2) ?
C79B C81 C81B C80B . . . . -2.5(19) ?
C79B C80B C81B C82 . . . . 42(4) ?
C79B C80B C81B C81 . . . . 4(3) ?
C80B C80 C81 C82 . . . . -51(2) ?
C80B C80 C81 C79B . . . . 136(4) ?
C80B C80 C81 C81B . . . . -9(2) ?
C80B C80 C79B C18 . . . . 68(7) ?
C80B C80 C79B C79 . . . . 172(6) ?
C80B C80 C79B C81 . . . . -132(4) ?
C80B C80 C79B C18B . . . . 58(7) ?
C81B C82 C81 C80 . . . . 52.4(15) ?
C81B C82 C81 C79B . . . . 54.8(18) ?
C81B C82 C83 C84 . . . . -140(3) ?
C81B C82 C83 C83B . . . . -159(4) ?
C81B C82 C83B C83 . . . . 16(3) ?
C81B C82 C83B C84 . . . . -22(7) ?
C81B C82 C83B C84B . . . . -159(3) ?
C81B C83 C84 C83B . . . . -93(5) ?
C81B C83 C83B C82 . . . . -25(4) ?
C81B C83 C83B C84 . . . . 124(4) ?
C81B C83 C83B C84B . . . . -0E1(2) ?
C18B C4 C5 C6 . . . . 165.0(11) ?
C18B C4 C18 C17 . . . . -80(2) ?
C18B C4 C18 C73 . . . . 159(2) ?
C18B C4 C18 C79 . . . . 35(2) ?
C18B C4 C18 C73B . . . . 122(3) ?
C18B C4 C18 C79B . . . . 15(2) ?
C18B C17 C18 C4 . . . . 76(2) ?
C18B C17 C18 C73 . . . . -163(2) ?
C18B C17 C18 C79 . . . . -42(2) ?
C18B C17 C18 C73B . . . . -129(3) ?
C18B C17 C18 C79B . . . . -19(2) ?
C18B C18 C73 C74 . . . . 160(5) ?
C18B C18 C73 C73B . . . . 0(6) ?
C18B C18 C73 C74B . . . . -174(8) ?
C18B C18 C79 C80 . . . . -12(3) ?
C18B C18 C79 C73B . . . . 170(3) ?
C18B C18 C79 C79B . . . . -2(3) ?
C18B C18 C73B C73 . . . . 180(3) ?
C18B C18 C73B C79 . . . . -9(3) ?
C18B C18 C73B C74B . . . . -178(3) ?
C18B C73 C74 C75A . . . . -96.1(12) ?
C18B C73 C74 C75B . . . . -170.8(13) ?
C18B C73 C74 C74B . . . . 155(6) ?
C18B C73 C73B C18 . . . . 0.0(9) ?
C18B C73 C73B C79 . . . . -24(6) ?
C18B C73 C73B C74B . . . . -16E1(2) ?
C18B C73 C74B C74 . . . . -46(10) ?
C18B C73 C74B C75B . . . . -173(3) ?
C18B C73 C74B C73B . . . . 16E1(3) ?
C18B C79 C80 C81 . . . . 170.8(11) ?
C18B C79 C80 C79B . . . . 39(7) ?
C18B C79 C80 C80B . . . . 28(3) ?
C18B C79 C73B C18 . . . . 3.4(11) ?
C18B C79 C73B C73 . . . . 31(8) ?
C18B C79 C73B C74B . . . . 44(8) ?
C18B C79 C79B C18 . . . . -0.6(9) ?
C18B C79 C79B C80 . . . . -142(7) ?
C18B C79 C79B C81 . . . . -177.7(19) ?
C18B C73B C74B C73 . . . . -2E1(2) ?
C18B C73B C74B C74 . . . . -42(5) ?
C18B C73B C74B C75B . . . . -170(2) ?
C18B C79B C80B C80 . . . . -148(4) ?
C18B C79B C80B C81B . . . . 179(3) ?
C83B C82 C81 C80 . . . . 141(4) ?
C83B C82 C81 C79B . . . . 144(4) ?
C83B C82 C81 C81B . . . . 89(5) ?
C83B C82 C83 C84 . . . . 19(3) ?
C83B C82 C83 C81B . . . . 159(4) ?
C83B C82 C81B C81 . . . . -152(3) ?
C83B C82 C81B C83 . . . . -19(3) ?
C83B C82 C81B C80B . . . . 159(3) ?
C83B C83 C81B C82 . . . . 23(4) ?
C83B C83 C81B C81 . . . . 61(4) ?
C1S C2S C3S C4S . . . . 166(3) ?
C2S C3S C4S C5S . . . . 164(4) ?

_cod_database_fobs_code 2243349
