# Supplementary Information (SI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2403233'
loop_
_audit_author_name
_audit_author_address
'Jiaxuan Wang'
;Jihua laboratory
China
;
_audit_update_record             
;
2024-11-16 deposited with the CCDC.	2025-09-30 downloaded from the CCDC.
;
_audit_creation_date             2024-11-16
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C27 H23 Ir N2 O2'
_chemical_formula_sum            'C27 H23 Ir N2 O2'
_chemical_formula_weight         599.67
_chemical_melting_point          ?
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'
Ir Ir -1.4442 7.9887 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.3472(9)
_cell_length_b                   9.6180(8)
_cell_length_c                   20.6199(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.181(3)
_cell_angle_gamma                90.00
_cell_volume                     2248.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9842
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      27.5135
_cell_measurement_theta_min      2.775
_exptl_absorpt_coefficient_mu    5.964
_exptl_absorpt_correction_T_max  0.5869
_exptl_absorpt_correction_T_min  0.5347
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.771
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0738
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            73660
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         2.78
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4233
_reflns_number_total             5191
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         4.487
_refine_diff_density_min         -3.236
_refine_diff_density_rms         0.236
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         5191
_refine_ls_number_restraints     294
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0445
_refine_ls_restrained_S_all      1.145
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+40.4917P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0915
_refine_ls_wR_factor_ref         0.1095
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 2A
4.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C12(H12),
 C13(H13), C14(H14), C15(H15), C18(H18), C19(H19), C20(H20), C21(H21), C25(H25)
4.b Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ir1 Ir 0.74859(2) 0.71663(3) 0.071539(12) 0.01973(9) Uani 1 1 d U . .
O1 O 0.5942(4) 0.7824(6) 0.0179(2) 0.0237(10) Uani 1 1 d U . .
O2 O 0.8542(4) 0.8217(5) 0.0012(2) 0.0229(10) Uani 1 1 d U . .
N1 N 0.7323(5) 0.8891(7) 0.1282(3) 0.0217(12) Uani 1 1 d U . .
N2 N 0.7595(5) 0.5339(7) 0.0220(3) 0.0225(11) Uani 1 1 d U . .
C1 C 0.7908(6) 1.0091(8) 0.1204(3) 0.0213(14) Uani 1 1 d U . .
H1 H 0.8439 1.0161 0.0860 0.026 Uiso 1 1 calc R . .
C2 C 0.7765(7) 1.1236(9) 0.1606(4) 0.0281(16) Uani 1 1 d U . .
H2 H 0.8162 1.2087 0.1532 0.034 Uiso 1 1 calc R . .
C3 C 0.7011(7) 1.1083(9) 0.2125(4) 0.0294(16) Uani 1 1 d U . .
H3 H 0.6913 1.1827 0.2422 0.035 Uiso 1 1 calc R . .
C4 C 0.6413(7) 0.9855(9) 0.2205(3) 0.0268(15) Uani 1 1 d U . .
H4 H 0.5892 0.9758 0.2553 0.032 Uiso 1 1 calc R . .
C5 C 0.6566(6) 0.8761(8) 0.1783(3) 0.0210(13) Uani 1 1 d U . .
C6 C 0.6004(6) 0.7381(8) 0.1813(3) 0.0224(14) Uani 1 1 d U . .
C7 C 0.5120(6) 0.7062(9) 0.2247(3) 0.0279(15) Uani 1 1 d U . .
H7 H 0.4834 0.7755 0.2529 0.034 Uiso 1 1 calc R . .
C8 C 0.4670(7) 0.5726(10) 0.2260(4) 0.0312(17) Uani 1 1 d U . .
H8 H 0.4060 0.5507 0.2546 0.037 Uiso 1 1 calc R . .
C9 C 0.5107(7) 0.4697(10) 0.1856(4) 0.0308(17) Uani 1 1 d U . .
H9 H 0.4810 0.3776 0.1876 0.037 Uiso 1 1 calc R . .
C10 C 0.5987(7) 0.5028(8) 0.1421(3) 0.0253(15) Uani 1 1 d U . .
H10 H 0.6284 0.4321 0.1149 0.030 Uiso 1 1 calc R . .
C11 C 0.6430(6) 0.6367(8) 0.1379(3) 0.0207(13) Uani 1 1 d U . .
C12 C 0.6754(6) 0.4882(8) -0.0212(3) 0.0232(14) Uani 1 1 d U . .
H12 H 0.6099 0.5467 -0.0314 0.028 Uiso 1 1 calc R . .
C13 C 0.6813(7) 0.3600(9) -0.0509(4) 0.0295(16) Uani 1 1 d U . .
H13 H 0.6206 0.3290 -0.0805 0.035 Uiso 1 1 calc R . .
C14 C 0.7794(7) 0.2780(8) -0.0359(4) 0.0276(15) Uani 1 1 d U . .
H14 H 0.7870 0.1899 -0.0562 0.033 Uiso 1 1 calc R . .
C15 C 0.8658(7) 0.3229(8) 0.0080(4) 0.0261(15) Uani 1 1 d U . .
H15 H 0.9327 0.2661 0.0175 0.031 Uiso 1 1 calc R . .
C16 C 0.8554(6) 0.4519(8) 0.0384(3) 0.0227(13) Uani 1 1 d U . .
C17 C 0.9340(6) 0.5118(8) 0.0881(3) 0.0217(13) Uani 1 1 d U . .
C18 C 1.0405(6) 0.4509(9) 0.1095(4) 0.0271(15) Uani 1 1 d U . .
H18 H 1.0640 0.3643 0.0920 0.032 Uiso 1 1 calc R . .
C19 C 1.1123(7) 0.5173(9) 0.1567(4) 0.0298(16) Uani 1 1 d U . .
H19 H 1.1837 0.4748 0.1720 0.036 Uiso 1 1 calc R . .
C20 C 1.0792(7) 0.6447(10) 0.1809(4) 0.0301(16) Uani 1 1 d U . .
H20 H 1.1289 0.6902 0.2124 0.036 Uiso 1 1 calc R . .
C21 C 0.9731(6) 0.7078(9) 0.1598(3) 0.0252(14) Uani 1 1 d U . .
H21 H 0.9519 0.7956 0.1770 0.030 Uiso 1 1 calc R . .
C22 C 0.8982(6) 0.6428(8) 0.1135(3) 0.0219(13) Uani 1 1 d U . .
C23 C 0.4734(7) 0.8750(10) -0.0662(4) 0.0325(18) Uani 1 1 d U . .
H23A H 0.4550 0.8037 -0.0990 0.049 Uiso 1 1 calc R . .
H23B H 0.4725 0.9669 -0.0868 0.049 Uiso 1 1 calc R . .
H23C H 0.4142 0.8723 -0.0328 0.049 Uiso 1 1 calc R . .
C24 C 0.5941(7) 0.8476(9) -0.0353(3) 0.0247(14) Uani 1 1 d U . .
C25 C 0.6928(7) 0.8964(9) -0.0682(4) 0.0276(15) Uani 1 1 d U . .
H25 H 0.6767 0.9444 -0.1078 0.033 Uiso 1 1 calc R . .
C26 C 0.8119(7) 0.8819(8) -0.0488(3) 0.0229(14) Uani 1 1 d U . .
C27 C 0.9030(7) 0.9512(9) -0.0905(4) 0.0310(18) Uani 1 1 d U . .
H27A H 0.9545 1.0107 -0.0633 0.047 Uiso 1 1 calc R . .
H27B H 0.8627 1.0078 -0.1241 0.047 Uiso 1 1 calc R . .
H27C H 0.9504 0.8797 -0.1111 0.047 Uiso 1 1 calc R . .


_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 O1 2.132(5) . ?
Ir1 O2 2.166(5) . ?
Ir1 N1 2.041(6) . ?
Ir1 N2 2.038(6) . ?
Ir1 C11 2.006(7) . ?
Ir1 C22 2.006(7) . ?
O1 C24 1.264(9) . ?
O2 C26 1.261(9) . ?
N1 C1 1.345(9) . ?
N1 C5 1.374(8) . ?
N2 C12 1.354(9) . ?
N2 C16 1.375(9) . ?
C1 H1 0.9500 . ?
C1 C2 1.392(10) . ?
C2 H2 0.9500 . ?
C2 C3 1.403(11) . ?
C3 H3 0.9500 . ?
C3 C4 1.375(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.381(10) . ?
C5 C6 1.475(11) . ?
C6 C7 1.403(9) . ?
C6 C11 1.421(10) . ?
C7 H7 0.9500 . ?
C7 C8 1.383(12) . ?
C8 H8 0.9500 . ?
C8 C9 1.396(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.404(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.387(10) . ?
C12 H12 0.9500 . ?
C12 C13 1.380(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.389(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.379(11) . ?
C15 H15 0.9500 . ?
C15 C16 1.397(11) . ?
C16 C17 1.452(10) . ?
C17 C18 1.399(10) . ?
C17 C22 1.430(10) . ?
C18 H18 0.9500 . ?
C18 C19 1.400(12) . ?
C19 H19 0.9500 . ?
C19 C20 1.381(13) . ?
C20 H20 0.9500 . ?
C20 C21 1.402(11) . ?
C21 H21 0.9500 . ?
C21 C22 1.401(10) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C23 C24 1.512(10) . ?
C24 C25 1.410(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.403(11) . ?
C26 C27 1.524(9) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?

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
O1 Ir1 O2 88.80(19) . . ?
N1 Ir1 O1 88.0(2) . . ?
N1 Ir1 O2 93.9(2) . . ?
N2 Ir1 O1 93.5(2) . . ?
N2 Ir1 O2 91.2(2) . . ?
N2 Ir1 N1 174.7(2) . . ?
C11 Ir1 O1 88.1(2) . . ?
C11 Ir1 O2 174.5(3) . . ?
C11 Ir1 N1 81.4(3) . . ?
C11 Ir1 N2 93.5(3) . . ?
C11 Ir1 C22 95.0(3) . . ?
C22 Ir1 O1 173.8(2) . . ?
C22 Ir1 O2 88.5(2) . . ?
C22 Ir1 N1 97.7(3) . . ?
C22 Ir1 N2 81.0(3) . . ?
C24 O1 Ir1 124.8(5) . . ?
C26 O2 Ir1 123.9(5) . . ?
C1 N1 Ir1 125.0(5) . . ?
C1 N1 C5 119.6(6) . . ?
C5 N1 Ir1 115.4(5) . . ?
C12 N2 Ir1 123.7(5) . . ?
C12 N2 C16 120.4(7) . . ?
C16 N2 Ir1 115.8(5) . . ?
N1 C1 H1 118.7 . . ?
N1 C1 C2 122.5(6) . . ?
C2 C1 H1 118.7 . . ?
C1 C2 H2 121.3 . . ?
C1 C2 C3 117.4(7) . . ?
C3 C2 H2 121.3 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 119.9(7) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.9 . . ?
C3 C4 C5 120.3(7) . . ?
C5 C4 H4 119.9 . . ?
N1 C5 C4 120.2(7) . . ?
N1 C5 C6 113.4(6) . . ?
C4 C5 C6 126.4(6) . . ?
C7 C6 C5 123.0(7) . . ?
C7 C6 C11 121.3(7) . . ?
C11 C6 C5 115.6(6) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 C6 119.3(7) . . ?
C8 C7 H7 120.4 . . ?
C7 C8 H8 119.8 . . ?
C7 C8 C9 120.5(7) . . ?
C9 C8 H8 119.8 . . ?
C8 C9 H9 120.1 . . ?
C8 C9 C10 119.9(8) . . ?
C10 C9 H9 120.1 . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.2(7) . . ?
C11 C10 H10 119.4 . . ?
C6 C11 Ir1 113.2(5) . . ?
C10 C11 Ir1 128.7(5) . . ?
C10 C11 C6 117.8(6) . . ?
N2 C12 H12 118.7 . . ?
N2 C12 C13 122.6(7) . . ?
C13 C12 H12 118.7 . . ?
C12 C13 H13 121.3 . . ?
C12 C13 C14 117.4(8) . . ?
C14 C13 H13 121.3 . . ?
C13 C14 H14 119.6 . . ?
C15 C14 C13 120.8(7) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(7) . . ?
C16 C15 H15 119.9 . . ?
N2 C16 C15 118.6(7) . . ?
N2 C16 C17 113.9(7) . . ?
C15 C16 C17 127.5(7) . . ?
C18 C17 C16 123.8(7) . . ?
C18 C17 C22 120.5(7) . . ?
C22 C17 C16 115.7(6) . . ?
C17 C18 H18 120.0 . . ?
C17 C18 C19 120.1(8) . . ?
C19 C18 H18 120.0 . . ?
C18 C19 H19 120.1 . . ?
C20 C19 C18 119.8(7) . . ?
C20 C19 H19 120.1 . . ?
C19 C20 H20 119.5 . . ?
C19 C20 C21 120.9(8) . . ?
C21 C20 H20 119.5 . . ?
C20 C21 H21 119.7 . . ?
C22 C21 C20 120.6(8) . . ?
C22 C21 H21 119.7 . . ?
C17 C22 Ir1 113.7(5) . . ?
C21 C22 Ir1 128.1(6) . . ?
C21 C22 C17 118.0(7) . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C24 C23 H23A 109.5 . . ?
C24 C23 H23B 109.5 . . ?
C24 C23 H23C 109.5 . . ?
O1 C24 C23 115.0(6) . . ?
O1 C24 C25 127.4(7) . . ?
C25 C24 C23 117.6(7) . . ?
C24 C25 H25 116.4 . . ?
C26 C25 C24 127.2(7) . . ?
C26 C25 H25 116.4 . . ?
O2 C26 C25 127.7(7) . . ?
O2 C26 C27 114.7(7) . . ?
C25 C26 C27 117.5(7) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ir1 O1 C24 C23 176.4(5) . . . . ?
Ir1 O1 C24 C25 -3.7(12) . . . . ?
Ir1 O2 C26 C25 1.7(11) . . . . ?
Ir1 O2 C26 C27 178.9(5) . . . . ?
Ir1 N1 C1 C2 -179.9(6) . . . . ?
Ir1 N1 C5 C4 178.4(5) . . . . ?
Ir1 N1 C5 C6 -0.2(8) . . . . ?
Ir1 N2 C12 C13 -175.7(5) . . . . ?
Ir1 N2 C16 C15 177.7(5) . . . . ?
Ir1 N2 C16 C17 -0.9(7) . . . . ?
O1 Ir1 O2 C26 -3.3(6) . . . . ?
O1 Ir1 N1 C1 -97.1(6) . . . . ?
O1 Ir1 N1 C5 84.0(5) . . . . ?
O1 Ir1 N2 C12 -7.6(6) . . . . ?
O1 Ir1 N2 C16 176.9(5) . . . . ?
O1 Ir1 C11 C6 -80.2(5) . . . . ?
O1 Ir1 C11 C10 92.6(7) . . . . ?
O1 Ir1 C22 C17 -26(3) . . . . ?
O1 Ir1 C22 C21 149(2) . . . . ?
O1 C24 C25 C26 0.5(14) . . . . ?
O2 Ir1 O1 C24 4.2(6) . . . . ?
O2 Ir1 N1 C1 -8.5(6) . . . . ?
O2 Ir1 N1 C5 172.7(5) . . . . ?
O2 Ir1 N2 C12 -96.5(5) . . . . ?
O2 Ir1 N2 C16 88.1(5) . . . . ?
O2 Ir1 C11 C6 -24(3) . . . . ?
O2 Ir1 C11 C10 148(2) . . . . ?
O2 Ir1 C22 C17 -90.2(5) . . . . ?
O2 Ir1 C22 C21 84.6(6) . . . . ?
N1 Ir1 O1 C24 98.1(6) . . . . ?
N1 Ir1 O2 C26 -91.2(6) . . . . ?
N1 Ir1 N2 C12 99(3) . . . . ?
N1 Ir1 N2 C16 -77(3) . . . . ?
N1 Ir1 C11 C6 8.1(5) . . . . ?
N1 Ir1 C11 C10 -179.1(7) . . . . ?
N1 Ir1 C22 C17 176.0(5) . . . . ?
N1 Ir1 C22 C21 -9.1(6) . . . . ?
N1 C1 C2 C3 2.5(11) . . . . ?
N1 C5 C6 C7 -173.9(7) . . . . ?
N1 C5 C6 C11 7.1(9) . . . . ?
N2 Ir1 O1 C24 -87.0(6) . . . . ?
N2 Ir1 O2 C26 90.2(6) . . . . ?
N2 Ir1 N1 C1 156(2) . . . . ?
N2 Ir1 N1 C5 -22(3) . . . . ?
N2 Ir1 C11 C6 -173.6(5) . . . . ?
N2 Ir1 C11 C10 -0.8(7) . . . . ?
N2 Ir1 C22 C17 1.3(5) . . . . ?
N2 Ir1 C22 C21 176.1(6) . . . . ?
N2 C12 C13 C14 -1.3(11) . . . . ?
N2 C16 C17 C18 -176.0(6) . . . . ?
N2 C16 C17 C22 2.0(9) . . . . ?
C1 N1 C5 C4 -0.5(10) . . . . ?
C1 N1 C5 C6 -179.1(6) . . . . ?
C1 C2 C3 C4 -2.5(11) . . . . ?
C2 C3 C4 C5 1.1(12) . . . . ?
C3 C4 C5 N1 0.4(11) . . . . ?
C3 C4 C5 C6 178.9(7) . . . . ?
C4 C5 C6 C7 7.5(12) . . . . ?
C4 C5 C6 C11 -171.4(7) . . . . ?
C5 N1 C1 C2 -1.1(11) . . . . ?
C5 C6 C7 C8 -177.7(7) . . . . ?
C5 C6 C11 Ir1 -10.7(8) . . . . ?
C5 C6 C11 C10 175.7(6) . . . . ?
C6 C7 C8 C9 1.3(12) . . . . ?
C7 C6 C11 Ir1 170.4(6) . . . . ?
C7 C6 C11 C10 -3.3(11) . . . . ?
C7 C8 C9 C10 -1.7(12) . . . . ?
C8 C9 C10 C11 -0.4(12) . . . . ?
C9 C10 C11 Ir1 -169.7(6) . . . . ?
C9 C10 C11 C6 2.9(11) . . . . ?
C11 Ir1 O1 C24 179.6(6) . . . . ?
C11 Ir1 O2 C26 -59(3) . . . . ?
C11 Ir1 N1 C1 174.5(6) . . . . ?
C11 Ir1 N1 C5 -4.4(5) . . . . ?
C11 Ir1 N2 C12 80.7(6) . . . . ?
C11 Ir1 N2 C16 -94.7(5) . . . . ?
C11 Ir1 C22 C17 94.0(5) . . . . ?
C11 Ir1 C22 C21 -91.1(6) . . . . ?
C11 C6 C7 C8 1.2(11) . . . . ?
C12 N2 C16 C15 2.0(9) . . . . ?
C12 N2 C16 C17 -176.6(6) . . . . ?
C12 C13 C14 C15 1.2(11) . . . . ?
C13 C14 C15 C16 0.4(11) . . . . ?
C14 C15 C16 N2 -2.0(10) . . . . ?
C14 C15 C16 C17 176.3(7) . . . . ?
C15 C16 C17 C18 5.5(11) . . . . ?
C15 C16 C17 C22 -176.4(6) . . . . ?
C16 N2 C12 C13 -0.4(10) . . . . ?
C16 C17 C18 C19 178.6(7) . . . . ?
C16 C17 C22 Ir1 -2.1(7) . . . . ?
C16 C17 C22 C21 -177.6(6) . . . . ?
C17 C18 C19 C20 -1.5(11) . . . . ?
C18 C17 C22 Ir1 176.0(5) . . . . ?
C18 C17 C22 C21 0.5(10) . . . . ?
C18 C19 C20 C21 1.2(11) . . . . ?
C19 C20 C21 C22 0.1(11) . . . . ?
C20 C21 C22 Ir1 -175.6(5) . . . . ?
C20 C21 C22 C17 -0.9(10) . . . . ?
C22 Ir1 O1 C24 -60(3) . . . . ?
C22 Ir1 O2 C26 171.2(6) . . . . ?
C22 Ir1 N1 C1 80.5(6) . . . . ?
C22 Ir1 N1 C5 -98.3(5) . . . . ?
C22 Ir1 N2 C12 175.3(6) . . . . ?
C22 Ir1 N2 C16 -0.2(5) . . . . ?
C22 Ir1 C11 C6 105.1(5) . . . . ?
C22 Ir1 C11 C10 -82.1(7) . . . . ?
C22 C17 C18 C19 0.7(10) . . . . ?
C23 C24 C25 C26 -179.6(8) . . . . ?
C24 C25 C26 O2 0.6(14) . . . . ?
C24 C25 C26 C27 -176.5(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
