# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_shelx
_audit_block_doi                 10.5517/ccdc.csd.cc2404jv
_database_code_depnum_ccdc_archive 'CCDC 1966346'
loop_
_audit_author_name
_audit_author_address
'Zhao Chen'
;Wuyi University
China
;
_audit_update_record             
;
2019-11-18 deposited with the CCDC.	2020-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C34 H18 F11 Ir N4'
_chemical_formula_weight         883.72

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_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+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   18.088(5)
_cell_length_b                   18.088(5)
_cell_length_c                   36.664(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     11996(7)
_cell_formula_units_Z            16
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9926
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      22.45

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_F_000             6816
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    4.555
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6555
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            59749
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_av_R_equivalents  0.0621
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -44
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_theta_min         1.255
_diffrn_reflns_theta_max         25.716
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5705
_reflns_number_gt                4002
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0917P)²+343.9287P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5705
_refine_ls_number_parameters     291
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.1396
_refine_ls_R_factor_gt           0.1112
_refine_ls_wR_factor_ref         0.3064
_refine_ls_wR_factor_gt          0.2841
_refine_ls_goodness_of_fit_ref   1.310
_refine_ls_restrained_S_all      1.349
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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 0.25007(5) 0.53416(4) 0.50000(2) 0.0797(4) Uani 1 1 d . . . . .
N1 N 0.3124(8) 0.5290(8) 0.4538(3) 0.103(6) Uani 1 1 d G . . . .
C1 C 0.3724(9) 0.5755(8) 0.4481(4) 0.119(9) Uani 1 1 d G . . . .
H1 H 0.3846 0.6121 0.4656 0.143 Uiso 1 1 calc R U . . .
C2 C 0.4147(9) 0.5684(11) 0.4166(6) 0.126(10) Uani 1 1 d G . . . .
H2 H 0.4558 0.6002 0.4127 0.151 Uiso 1 1 calc R U . . .
C3 C 0.3969(12) 0.5148(13) 0.3909(4) 0.156(13) Uani 1 1 d G U . . .
H3 H 0.4259 0.5100 0.3694 0.187 Uiso 1 1 calc R U . . .
C4 C 0.3369(13) 0.4683(10) 0.3966(4) 0.133(11) Uani 1 1 d G U . . .
H4 H 0.3247 0.4317 0.3790 0.159 Uiso 1 1 calc R U . . .
C5 C 0.2946(9) 0.4754(8) 0.4281(5) 0.092(7) Uani 1 1 d G . . . .
C6 C 0.2339(10) 0.4299(10) 0.4385(5) 0.124(11) Uani 1 1 d G . . . .
C7 C 0.1991(11) 0.4489(8) 0.4710(4) 0.100(8) Uani 1 1 d G . . . .
C8 C 0.1338(12) 0.4138(11) 0.4811(5) 0.135(12) Uani 1 1 d G . . . .
C9 C 0.1034(13) 0.3597(12) 0.4588(7) 0.168(16) Uani 1 1 d G . . . .
C10 C 0.1382(16) 0.3407(10) 0.4263(6) 0.21(2) Uani 1 1 d G . . . .
C11 C 0.2034(15) 0.3758(11) 0.4162(4) 0.177(19) Uani 1 1 d G . . . .
N2 N 0.1893(9) 0.5289(8) 0.5460(3) 0.098(6) Uani 1 1 d G . . . .
C12 C 0.1297(10) 0.5750(9) 0.5535(5) 0.123(9) Uani 1 1 d G . . . .
H12 H 0.1155 0.6117 0.5363 0.147 Uiso 1 1 calc R U . . .
C13 C 0.0910(9) 0.5675(13) 0.5860(6) 0.144(13) Uani 1 1 d G . . . .
H13 H 0.0503 0.5990 0.5911 0.173 Uiso 1 1 calc R U . . .
C14 C 0.1119(13) 0.5138(14) 0.6111(5) 0.165(18) Uani 1 1 d G . . . .
H14 H 0.0854 0.5087 0.6333 0.198 Uiso 1 1 calc R U . . .
C15 C 0.1714(15) 0.4677(10) 0.6037(4) 0.19(2) Uani 1 1 d G . . . .
H15 H 0.1857 0.4310 0.6209 0.234 Uiso 1 1 calc R U . . .
C16 C 0.2102(10) 0.4752(8) 0.5712(5) 0.106(9) Uani 1 1 d G . . . .
C17 C 0.2724(11) 0.4326(11) 0.5625(5) 0.133(11) Uani 1 1 d G . . . .
C18 C 0.3057(12) 0.4522(8) 0.5297(5) 0.099(8) Uani 1 1 d G . . . .
C19 C 0.3692(13) 0.4158(11) 0.5182(5) 0.153(14) Uani 1 1 d G . . . .
C20 C 0.3993(13) 0.3597(11) 0.5394(7) 0.179(19) Uani 1 1 d G . . . .
C21 C 0.3661(17) 0.3400(10) 0.5721(6) 0.19(2) Uani 1 1 d G . . . .
C22 C 0.3026(16) 0.3765(12) 0.5837(5) 0.156(14) Uani 1 1 d G . . . .
C23 C 0.3056(11) 0.6225(10) 0.5232(6) 0.100(7) Uani 1 1 d G . . . .
N3 N 0.3623(13) 0.6355(14) 0.5492(7) 0.203(14) Uiso 1 1 d DG . . . .
C24 C 0.3681(14) 0.7130(16) 0.5545(7) 0.24(2) Uiso 1 1 d G . . . .
H24 H 0.4016 0.7373 0.5705 0.285 Uiso 1 1 calc R U . . .
C25 C 0.3149(15) 0.7480(9) 0.5318(7) 0.152(12) Uiso 1 1 d G . . . .
H25 H 0.3067 0.7997 0.5299 0.183 Uiso 1 1 calc R U . . .
N4 N 0.2763(10) 0.6920(13) 0.5125(5) 0.138(9) Uiso 1 1 d G . . . .
C26 C 0.2220(8) 0.6905(12) 0.4841(5) 0.112(8) Uiso 1 1 d G . . . .
C27 C 0.1959(9) 0.6194(10) 0.4776(5) 0.113(8) Uani 1 1 d G . . . .
C28 C 0.1323(10) 0.6091(7) 0.4569(5) 0.22(2) Uiso 1 1 d DG . . . .
H28 H 0.1144 0.5606 0.4524 0.268 Uiso 1 1 calc R U . . .
C29 C 0.0948(8) 0.6698(7) 0.4428(5) 0.28(3) Uiso 1 1 d DG . . . .
C30 C 0.1209(10) 0.7408(7) 0.4494(6) 0.23(2) Uiso 1 1 d DG . . . .
H30 H 0.0953 0.7823 0.4398 0.272 Uiso 1 1 calc R U . . .
C31 C 0.1845(11) 0.7512(9) 0.4701(6) 0.168(14) Uiso 1 1 d G . . . .
H31 H 0.2024 0.7997 0.4745 0.201 Uiso 1 1 calc R U . . .
C32 C 0.434(3) 0.610(4) 0.5666(19) 0.37(4) Uiso 1 1 d D . . . .
H32A H 0.4688 0.6043 0.5461 0.447 Uiso 1 1 calc R U . . .
H32B H 0.4234 0.5594 0.5754 0.447 Uiso 1 1 calc R U . . .
F1 F 0.2313(16) 0.3530(10) 0.3848(5) 0.194(10) Uani 1 1 d . . . . .
F2 F 0.1093(19) 0.2831(11) 0.4057(6) 0.254(15) Uani 1 1 d . . . . .
F3 F 0.0455(18) 0.3200(12) 0.4684(7) 0.252(15) Uani 1 1 d . . . . .
F4 F 0.0986(15) 0.4267(13) 0.5104(5) 0.193(11) Uani 1 1 d . . . . .
F5 F 0.2756(18) 0.3551(12) 0.6147(5) 0.219(12) Uani 1 1 d . . . . .
F6 F 0.397(2) 0.2837(13) 0.5914(6) 0.295(18) Uani 1 1 d . . . . .
F7 F 0.4568(16) 0.3197(12) 0.5304(7) 0.239(14) Uani 1 1 d . . . . .
F8 F 0.4023(15) 0.4287(13) 0.4877(6) 0.192(10) Uani 1 1 d . . . . .
C33 C 0.479(4) 0.646(4) 0.5968(17) 0.40(5) Uiso 1 1 d D . . . .
H33A H 0.5223 0.6156 0.6020 0.479 Uiso 1 1 calc R U . . .
H33B H 0.4942 0.6954 0.5891 0.479 Uiso 1 1 calc R U . . .
H33C H 0.4482 0.6498 0.6189 0.479 Uiso 1 1 calc R U . . .
C34 C 0.0285 0.6573 0.4202 0.384 Uiso 1 1 d D U . . .
F9 F 0.0383 0.6244 0.3847 0.250 Uiso 1 1 d D U . . .
F10 F -0.0393 0.6247 0.4316 0.250 Uiso 1 1 d D U . . .
F11 F -0.0176 0.7239 0.4089 0.250 Uiso 1 1 d D U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 C27 2.004(14) . ?
Ir1 N2 2.016(14) . ?
Ir1 N1 2.037(13) . ?
Ir1 C23 2.070(17) . ?
Ir1 C7 2.088(12) . ?
Ir1 C18 2.097(13) . ?
N1 C1 1.3900 . ?
N1 C5 1.3900 . ?
C1 C2 1.3900 . ?
C1 H1 0.9500 . ?
C2 C3 1.3900 . ?
C2 H2 0.9500 . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.43(2) . ?
C6 C7 1.3900 . ?
C6 C11 1.3900 . ?
C7 C8 1.3900 . ?
C8 F4 1.27(3) . ?
C8 C9 1.3900 . ?
C9 F3 1.32(3) . ?
C9 C10 1.3900 . ?
C10 F2 1.39(2) . ?
C10 C11 1.3900 . ?
C11 F1 1.32(2) . ?
N2 C12 1.3900 . ?
N2 C16 1.3900 . ?
C12 C13 1.3900 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 H13 0.9500 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C15 C16 1.3900 . ?
C15 H15 0.9500 . ?
C16 C17 1.40(2) . ?
C17 C18 1.3900 . ?
C17 C22 1.3900 . ?
C18 C19 1.3900 . ?
C19 F8 1.29(3) . ?
C19 C20 1.3900 . ?
C20 F7 1.31(3) . ?
C20 C21 1.3900 . ?
C21 F6 1.360(19) . ?
C21 C22 1.3900 . ?
C22 F5 1.30(2) . ?
C23 N4 1.4200 . ?
C23 N3 1.4200 . ?
N3 C24 1.4200 . ?
N3 C32 1.51(2) . ?
C24 C25 1.4200 . ?
C24 H24 0.9500 . ?
C25 N4 1.4200 . ?
C25 H25 0.9500 . ?
N4 C26 1.43(2) . ?
C26 C27 1.3900 . ?
C26 C31 1.3900 . ?
C27 C28 1.3900 . ?
C28 C29 1.3900 . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 C34 1.476(13) . ?
C30 C31 1.3900 . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.52(2) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 F10 1.4240(4) . ?
C34 F9 1.4421(3) . ?
C34 F11 1.5223(4) . ?
F11 F11 1.1388(3) 6_464 ?

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
C27 Ir1 N2 96.5(8) . . ?
C27 Ir1 N1 88.0(7) . . ?
N2 Ir1 N1 174.6(6) . . ?
C27 Ir1 C23 79.2(9) . . ?
N2 Ir1 C23 87.5(7) . . ?
N1 Ir1 C23 96.3(7) . . ?
C27 Ir1 C7 98.3(7) . . ?
N2 Ir1 C7 98.6(7) . . ?
N1 Ir1 C7 77.7(7) . . ?
C23 Ir1 C7 173.6(8) . . ?
C27 Ir1 C18 172.7(8) . . ?
N2 Ir1 C18 78.0(7) . . ?
N1 Ir1 C18 97.7(7) . . ?
C23 Ir1 C18 95.7(8) . . ?
C7 Ir1 C18 87.4(7) . . ?
C1 N1 C5 120.0 . . ?
C1 N1 Ir1 122.0(10) . . ?
C5 N1 Ir1 118.0(10) . . ?
N1 C1 C2 120.0 . . ?
N1 C1 H1 120.0 . . ?
C2 C1 H1 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.0 . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 N1 120.0 . . ?
C4 C5 C6 126.5(15) . . ?
N1 C5 C6 113.4(15) . . ?
C7 C6 C11 120.0 . . ?
C7 C6 C5 115.9(16) . . ?
C11 C6 C5 123.5(16) . . ?
C8 C7 C6 120.0 . . ?
C8 C7 Ir1 125.2(12) . . ?
C6 C7 Ir1 114.7(12) . . ?
F4 C8 C7 124.6(18) . . ?
F4 C8 C9 115.4(18) . . ?
C7 C8 C9 120.0 . . ?
F3 C9 C10 117(2) . . ?
F3 C9 C8 123(2) . . ?
C10 C9 C8 120.0 . . ?
F2 C10 C9 119(2) . . ?
F2 C10 C11 121(2) . . ?
C9 C10 C11 120.0 . . ?
F1 C11 C10 114(2) . . ?
F1 C11 C6 126(2) . . ?
C10 C11 C6 120.0 . . ?
C12 N2 C16 120.0 . . ?
C12 N2 Ir1 123.9(11) . . ?
C16 N2 Ir1 116.1(11) . . ?
N2 C12 C13 120.0 . . ?
N2 C12 H12 120.0 . . ?
C13 C12 H12 120.0 . . ?
C12 C13 C14 120.0 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 N2 120.0 . . ?
C15 C16 C17 123.1(16) . . ?
N2 C16 C17 116.9(16) . . ?
C18 C17 C22 120.0 . . ?
C18 C17 C16 113.8(17) . . ?
C22 C17 C16 126.2(17) . . ?
C19 C18 C17 120.0 . . ?
C19 C18 Ir1 125.0(12) . . ?
C17 C18 Ir1 115.0(12) . . ?
F8 C19 C18 124.2(18) . . ?
F8 C19 C20 115.8(17) . . ?
C18 C19 C20 120.0 . . ?
F7 C20 C21 115(2) . . ?
F7 C20 C19 125(2) . . ?
C21 C20 C19 120.0 . . ?
F6 C21 C22 123(3) . . ?
F6 C21 C20 117(3) . . ?
C22 C21 C20 120.0 . . ?
F5 C22 C21 116(2) . . ?
F5 C22 C17 124(2) . . ?
C21 C22 C17 120.0 . . ?
N4 C23 N3 108.0 . . ?
N4 C23 Ir1 112.9(15) . . ?
N3 C23 Ir1 139.0(15) . . ?
C24 N3 C23 108.0 . . ?
C24 N3 C32 100(3) . . ?
C23 N3 C32 148(3) . . ?
N3 C24 C25 108.0 . . ?
N3 C24 H24 126.0 . . ?
C25 C24 H24 126.0 . . ?
N4 C25 C24 108.0 . . ?
N4 C25 H25 126.0 . . ?
C24 C25 H25 126.0 . . ?
C25 N4 C23 108.0 . . ?
C25 N4 C26 136(2) . . ?
C23 N4 C26 116(2) . . ?
C27 C26 C31 120.0 . . ?
C27 C26 N4 112.2(16) . . ?
C31 C26 N4 126.1(16) . . ?
C28 C27 C26 120.0 . . ?
C28 C27 Ir1 121.7(9) . . ?
C26 C27 Ir1 118.3(9) . . ?
C29 C28 C27 120.0 . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.0 . . ?
C28 C29 C34 119.0(7) . . ?
C30 C29 C34 121.0(7) . . ?
C29 C30 C31 120.0 . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C26 120.0 . . ?
C30 C31 H31 120.0 . . ?
C26 C31 H31 120.0 . . ?
N3 C32 C33 129(6) . . ?
N3 C32 H32A 105.0 . . ?
C33 C32 H32A 105.0 . . ?
N3 C32 H32B 105.0 . . ?
C33 C32 H32B 105.0 . . ?
H32A C32 H32B 105.8 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
F10 C34 F9 101.516(8) . . ?
F10 C34 C29 126.7(7) . . ?
F9 C34 C29 118.1(7) . . ?
F10 C34 F11 86.317(4) . . ?
F9 C34 F11 98.546(13) . . ?
C29 C34 F11 118.5(5) . . ?
F11 F11 C34 110.443(1) 6_464 . ?

_refine_diff_density_max         2.148
_refine_diff_density_min         -2.006
_refine_diff_density_rms         0.210

