# Electronic Supplementary Material (ESI) for Materials Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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 
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data_ljh-20180920-1(0918-9)
_database_code_depnum_ccdc_archive 'CCDC 2133382'
loop_
_audit_author_name
_audit_author_address
'jinhua li'
;department of chemistry, Southern University of Science and Technology
China
;
_audit_update_record             
;
2022-01-10 deposited with the CCDC.	2022-06-23 downloaded from the CCDC.
;
_audit_creation_date             2022-01-07
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C51 H42 Ir O7 P2, B F4, O'
_chemical_formula_sum            'C51 H42 B F4 Ir O8 P2'
_chemical_formula_weight         1123.79
_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 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ir Ir -4.7710 6.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.21890(10)
_cell_length_b                   11.9271(2)
_cell_length_c                   18.8998(3)
_cell_angle_alpha                78.7620(10)
_cell_angle_beta                 78.8080(10)
_cell_angle_gamma                65.3690(10)
_cell_volume                     2236.63(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    21075
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      77.3330
_cell_measurement_theta_min      4.1020
_shelx_estimated_absorpt_T_max   0.538
_shelx_estimated_absorpt_T_min   0.331
_exptl_absorpt_coefficient_mu    7.085
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1120
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26000
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.138
_diffrn_reflns_theta_min         4.111
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  muli-scan
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8603
_reflns_number_total             9102
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.838
_refine_diff_density_min         -1.944
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     633
_refine_ls_number_reflns         9102
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0357
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0411P)²+10.3938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0995
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: H215(0.5) H21A(0.5) C5AA(0.5) H5AA(0.5) C6AA(0.5) H6AA(0.5)
 C7AA(0.5) H7AA(0.5) C216(0.5) H216(0.5) C218(0.5) H218(0.5) C217(0.5) H217(0.5)
3.a Ternary CH refined with riding coordinates:
 C1(H1)
3.b Secondary CH2 refined with riding coordinates:
 C9(H9A,H9B), C11(H11A,H11B)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C203(H203), C7(H7), C102(H102), C204(H204), C108(H108), C112(H112),
 C208(H208), C118(H118), C106(H106), C116(H116), C212(H212), C109(H109),
 C114(H114), C104(H104), C115(H115), C105(H105), C110(H110), C111(H111),
 C210(H210), C209(H209), C205(H205), C117(H117), C103(H103), C211(H211),
 C206(H206), C214(H214), C215(H215), C215(H21A), C5AA(H5AA), C6AA(H6AA),
 C7AA(H7AA), C216(H216), C218(H218), C217(H217)
3.d Idealised Me refined as rotating group:
 C15(H15A,H15B,H15C), C13(H13A,H13B,H13C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.34446(2) 0.48789(2) 0.20505(2) 0.02200(7) Uani 1 1 d . . . . .
P1 P 0.39551(10) 0.29828(10) 0.15860(6) 0.0222(2) Uani 1 1 d . . . . .
P2 P 0.29885(11) 0.66989(10) 0.25150(6) 0.0259(2) Uani 1 1 d . . . . .
O2 O 0.5098(3) 0.3852(3) 0.26656(16) 0.0276(6) Uani 1 1 d . . . . .
O3 O 0.4788(4) 0.5785(3) 0.06260(18) 0.0370(8) Uani 1 1 d . . . . .
O1 O -0.0233(3) 0.5337(3) 0.17224(18) 0.0344(7) Uani 1 1 d . . . . .
O7 O 0.2910(3) 0.2788(3) 0.59875(17) 0.0374(8) Uani 1 1 d . . . . .
O6 O 0.1021(4) 0.4160(4) 0.55952(19) 0.0449(9) Uani 1 1 d . . . . .
F009 F 0.1836(4) -0.1997(4) 0.6775(3) 0.0680(11) Uani 1 1 d . . . . .
C4 C 0.2204(4) 0.4362(4) 0.2893(2) 0.0236(8) Uani 1 1 d . . . . .
O4 O 0.3422(4) 0.0377(4) 0.5078(2) 0.0501(10) Uani 1 1 d . . . . .
C202 C 0.0919(4) 0.7251(4) 0.1806(2) 0.0257(9) Uani 1 1 d . . . . .
O5 O 0.1274(4) 0.1525(4) 0.5311(3) 0.0526(10) Uani 1 1 d . . . . .
C3 C 0.0978(4) 0.4627(4) 0.2742(2) 0.0245(8) Uani 1 1 d . . . . .
H3 H 0.034626 0.440845 0.308666 0.029 Uiso 1 1 calc R . . . .
C107 C 0.5542(4) 0.2485(4) 0.1003(2) 0.0260(9) Uani 1 1 d . . . . .
C101 C 0.2802(4) 0.3038(4) 0.1010(2) 0.0256(9) Uani 1 1 d . . . . .
F00H F -0.0038(5) -0.2136(5) 0.7379(3) 0.0872(14) Uani 1 1 d . . . . .
C2 C 0.0683(4) 0.5272(4) 0.2012(2) 0.0255(9) Uani 1 1 d . . . . .
C1 C 0.1621(4) 0.5896(4) 0.1637(2) 0.0245(8) Uani 1 1 d . . . . .
H1 H 0.174571 0.587956 0.109985 0.029 Uiso 1 1 calc R . . . .
C203 C -0.0279(5) 0.8016(5) 0.1537(3) 0.0327(10) Uani 1 1 d . . . . .
H203 H -0.061656 0.771344 0.122628 0.039 Uiso 1 1 calc R . . . .
C14 C 0.2058(5) 0.3315(4) 0.5495(2) 0.0295(10) Uani 1 1 d . . . . .
C5 C 0.2643(4) 0.3677(4) 0.3580(2) 0.0238(8) Uani 1 1 d . . . . .
C113 C 0.4168(4) 0.1684(4) 0.2307(2) 0.0265(9) Uani 1 1 d . . . . .
C6 C 0.3894(4) 0.3224(4) 0.3754(2) 0.0260(9) Uani 1 1 d . . . . .
C8 C 0.4365(5) 0.5427(4) 0.1171(3) 0.0295(10) Uani 1 1 d . . . . .
C7 C 0.5040(4) 0.3321(4) 0.3299(2) 0.0288(9) Uani 1 1 d . . . . .
H7 H 0.584562 0.293641 0.350609 0.035 Uiso 1 1 calc R . . . .
C102 C 0.2125(5) 0.2255(5) 0.1134(3) 0.0314(10) Uani 1 1 d . . . . .
H102 H 0.224411 0.163730 0.154603 0.038 Uiso 1 1 calc R . . . .
F00U F 0.1175(8) -0.3445(6) 0.6572(4) 0.129(3) Uani 1 1 d . . . . .
C207 C 0.4157(5) 0.7401(5) 0.2078(2) 0.0310(10) Uani 1 1 d . . . . .
C204 C -0.0979(5) 0.9212(5) 0.1720(3) 0.0378(11) Uani 1 1 d . . . . .
H204 H -0.178174 0.972532 0.152522 0.045 Uiso 1 1 calc R . . . .
C10 C 0.2591(4) 0.2639(4) 0.4820(2) 0.0296(10) Uani 1 1 d . . . . .
C9 C 0.1723(4) 0.3352(5) 0.4200(2) 0.0304(10) Uani 1 1 d . . . . .
H9A H 0.135330 0.282085 0.405464 0.036 Uiso 1 1 calc R . . . .
H9B H 0.098558 0.411328 0.435622 0.036 Uiso 1 1 calc R . . . .
C108 C 0.6549(5) 0.2809(5) 0.1108(3) 0.0365(11) Uani 1 1 d . . . . .
H108 H 0.640552 0.330980 0.147480 0.044 Uiso 1 1 calc R . . . .
C112 C 0.5777(5) 0.1728(4) 0.0469(2) 0.0309(10) Uani 1 1 d . . . . .
H112 H 0.510175 0.149573 0.039444 0.037 Uiso 1 1 calc R . . . .
C208 C 0.3756(5) 0.8639(5) 0.1772(3) 0.0372(11) Uani 1 1 d . . . . .
H208 H 0.284415 0.917118 0.181598 0.045 Uiso 1 1 calc R . . . .
C118 C 0.5450(5) 0.0956(5) 0.2494(3) 0.0330(10) Uani 1 1 d . . . . .
H118 H 0.618516 0.110111 0.221481 0.040 Uiso 1 1 calc R . . . .
C106 C 0.2614(5) 0.3939(5) 0.0399(2) 0.0328(10) Uani 1 1 d . . . . .
H106 H 0.307318 0.447580 0.031096 0.039 Uiso 1 1 calc R . . . .
C116 C 0.4595(6) -0.0207(5) 0.3480(3) 0.0451(13) Uani 1 1 d . . . . .
H116 H 0.474059 -0.085399 0.387701 0.054 Uiso 1 1 calc R . . . .
C212 C 0.5502(5) 0.6647(5) 0.2017(3) 0.0375(11) Uani 1 1 d . . . . .
H212 H 0.579241 0.579843 0.222328 0.045 Uiso 1 1 calc R . . . .
C11 C 0.4016(4) 0.2509(5) 0.4512(2) 0.0322(10) Uani 1 1 d . . . . .
H11A H 0.435797 0.287241 0.481374 0.039 Uiso 1 1 calc R . . . .
H11B H 0.461349 0.162440 0.449234 0.039 Uiso 1 1 calc R . . . .
C15 C 0.2456(6) 0.3290(6) 0.6677(3) 0.0460(14) Uani 1 1 d . . . . .
H15A H 0.224146 0.418676 0.659253 0.069 Uiso 1 1 calc GR . . . .
H15B H 0.315470 0.288186 0.699440 0.069 Uiso 1 1 calc GR . . . .
H15C H 0.166667 0.314088 0.691064 0.069 Uiso 1 1 calc GR . . . .
C109 C 0.7765(5) 0.2398(6) 0.0673(3) 0.0450(13) Uani 1 1 d . . . . .
H109 H 0.844546 0.262912 0.074057 0.054 Uiso 1 1 calc R . . . .
C114 C 0.3107(5) 0.1462(4) 0.2725(2) 0.0315(10) Uani 1 1 d . . . . .
H114 H 0.223281 0.196411 0.261695 0.038 Uiso 1 1 calc R . . . .
C201 C 0.1393(5) 0.7711(4) 0.2260(2) 0.0290(9) Uani 1 1 d . . . . .
C104 C 0.1087(5) 0.3294(5) 0.0050(3) 0.0442(13) Uani 1 1 d . . . . .
H104 H 0.048583 0.338941 -0.027023 0.053 Uiso 1 1 calc R . . . .
C12 C 0.2512(5) 0.1364(5) 0.5082(2) 0.0336(10) Uani 1 1 d . . . . .
C115 C 0.3323(6) 0.0502(5) 0.3301(3) 0.0403(12) Uani 1 1 d . . . . .
H115 H 0.259798 0.033109 0.357301 0.048 Uiso 1 1 calc R . . . .
C213 C 0.2926(6) 0.6661(6) 0.3482(3) 0.0413(12) Uani 1 1 d . . . . .
C105 C 0.1765(5) 0.4058(5) -0.0081(3) 0.0400(12) Uani 1 1 d . . . . .
H105 H 0.165280 0.466452 -0.049921 0.048 Uiso 1 1 calc R . . . .
C110 C 0.7985(5) 0.1659(6) 0.0148(3) 0.0453(13) Uani 1 1 d . . . . .
H110 H 0.881557 0.138394 -0.014725 0.054 Uiso 1 1 calc R . . . .
C111 C 0.7008(5) 0.1316(5) 0.0048(3) 0.0391(12) Uani 1 1 d . . . . .
H111 H 0.717259 0.079333 -0.031077 0.047 Uiso 1 1 calc R . . . .
C210 C 0.6017(6) 0.8347(5) 0.1347(3) 0.0416(12) Uani 1 1 d . . . . .
H210 H 0.664894 0.867065 0.109472 0.050 Uiso 1 1 calc R . . . .
C209 C 0.4688(6) 0.9099(6) 0.1404(3) 0.0475(14) Uani 1 1 d . . . . .
H209 H 0.440686 0.994251 0.118803 0.057 Uiso 1 1 calc R . . . .
F01L F -0.0051(6) -0.1373(6) 0.6189(4) 0.114(2) Uani 1 1 d . . . . .
C205 C -0.0520(5) 0.9664(5) 0.2180(3) 0.0412(12) Uani 1 1 d . . . . .
H205 H -0.101123 1.048109 0.230717 0.049 Uiso 1 1 calc R . . . .
C117 C 0.5643(6) 0.0038(5) 0.3077(3) 0.0432(13) Uani 1 1 d . . . . .
H117 H 0.651011 -0.043427 0.320358 0.052 Uiso 1 1 calc R . . . .
C103 C 0.1274(5) 0.2384(6) 0.0650(3) 0.0432(13) Uani 1 1 d . . . . .
H103 H 0.081864 0.184511 0.072960 0.052 Uiso 1 1 calc R . . . .
C211 C 0.6422(5) 0.7130(6) 0.1656(3) 0.0415(12) Uani 1 1 d . . . . .
H211 H 0.733807 0.661271 0.162320 0.050 Uiso 1 1 calc R . . . .
C206 C 0.0666(5) 0.8922(5) 0.2460(3) 0.0365(11) Uani 1 1 d . . . . .
H206 H 0.098290 0.922455 0.278080 0.044 Uiso 1 1 calc R . . . .
C13 C 0.1035(7) 0.0401(6) 0.5559(4) 0.0610(17) Uani 1 1 d . . . . .
H13A H 0.131825 -0.010722 0.516023 0.091 Uiso 1 1 calc GR . . . .
H13B H 0.008900 0.061955 0.571831 0.091 Uiso 1 1 calc GR . . . .
H13C H 0.153492 -0.007134 0.596653 0.091 Uiso 1 1 calc GR . . . .
B01T B 0.0658(9) -0.2222(8) 0.6703(5) 0.0593(19) Uani 1 1 d . . . . .
C214 C 0.1867(5) 0.6570(5) 0.3960(3) 0.0362(11) Uani 1 1 d . . . . .
H214 H 0.114847 0.655111 0.377396 0.043 Uiso 1 1 calc R . . . .
C215 C 0.1813(6) 0.6506(5) 0.4701(3) 0.0405(12) Uani 1 1 d . . . . .
H215 H 0.099968 0.671604 0.501335 0.049 Uiso 0.5 1 calc R . P A 1
H21A H 0.130058 0.611258 0.502518 0.049 Uiso 0.5 1 calc R . P B 2
C5AA C 0.4232(10) 0.6161(11) 0.3767(5) 0.036(2) Uani 0.5 1 d . . P C 1
H5AA H 0.503137 0.600261 0.344432 0.043 Uiso 0.5 1 calc R . P C 1
C6AA C 0.3063(12) 0.6101(11) 0.4978(5) 0.035(2) Uani 0.5 1 d . . P C 1
H6AA H 0.308489 0.594162 0.548867 0.043 Uiso 0.5 1 calc R . P C 1
C7AA C 0.4241(12) 0.5938(12) 0.4513(5) 0.045(3) Uani 0.5 1 d . . P C 1
H7AA H 0.504737 0.567403 0.470895 0.053 Uiso 0.5 1 calc R . P C 1
C216 C 0.2486(12) 0.6999(13) 0.4961(6) 0.044(3) Uani 0.5 1 d . . P C 2
H216 H 0.236081 0.707292 0.546442 0.053 Uiso 0.5 1 calc R . P C 2
C218 C 0.3547(13) 0.7264(14) 0.3749(6) 0.051(3) Uani 0.5 1 d . . P C 2
H218 H 0.411081 0.759336 0.341794 0.062 Uiso 0.5 1 calc R . P C 2
C217 C 0.3371(13) 0.7400(16) 0.4480(7) 0.062(4) Uani 0.5 1 d . . P C 2
H217 H 0.385376 0.776582 0.464891 0.074 Uiso 0.5 1 calc R . P C 2
O0AA O -0.1882(6) 0.4007(6) 0.1802(4) 0.0898(18) Uani 1 1 d . . . . .


_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 P1 2.3900(11) . ?
Ir1 P2 2.3209(11) . ?
Ir1 O2 2.164(3) . ?
Ir1 C4 2.080(4) . ?
Ir1 C1 2.110(4) . ?
Ir1 C8 1.931(5) . ?
P1 C107 1.830(4) . ?
P1 C101 1.819(4) . ?
P1 C113 1.819(5) . ?
P2 C207 1.824(5) . ?
P2 C201 1.789(5) . ?
P2 C213 1.808(5) . ?
O2 C7 1.244(6) . ?
O3 C8 1.130(6) . ?
O1 C2 1.224(5) . ?
O7 C14 1.340(5) . ?
O7 C15 1.453(6) . ?
O6 C14 1.190(6) . ?
F009 B01T 1.489(9) . ?
C4 C3 1.352(6) . ?
C4 C5 1.448(6) . ?
O4 C12 1.195(6) . ?
C202 C1 1.541(6) . ?
C202 C203 1.400(6) . ?
C202 C201 1.388(7) . ?
O5 C12 1.314(6) . ?
O5 C13 1.448(8) . ?
C3 C2 1.468(6) . ?
C107 C108 1.394(7) . ?
C107 C112 1.399(6) . ?
C101 C102 1.393(7) . ?
C101 C106 1.399(7) . ?
F00H B01T 1.359(10) . ?
C2 C1 1.524(6) . ?
C203 C204 1.387(7) . ?
C14 C10 1.528(6) . ?
C5 C6 1.359(6) . ?
C5 C9 1.508(6) . ?
C113 C118 1.409(6) . ?
C113 C114 1.388(7) . ?
C6 C7 1.435(7) . ?
C6 C11 1.517(6) . ?
C102 C103 1.390(7) . ?
F00U B01T 1.381(10) . ?
C207 C208 1.390(7) . ?
C207 C212 1.394(7) . ?
C204 C205 1.380(8) . ?
C10 C9 1.553(6) . ?
C10 C11 1.544(7) . ?
C10 C12 1.539(7) . ?
C108 C109 1.393(7) . ?
C112 C111 1.393(7) . ?
C208 C209 1.388(8) . ?
C118 C117 1.372(7) . ?
C106 C105 1.387(7) . ?
C116 C115 1.392(8) . ?
C116 C117 1.378(9) . ?
C212 C211 1.390(8) . ?
C109 C110 1.374(9) . ?
C114 C115 1.393(7) . ?
C201 C206 1.415(6) . ?
C104 C105 1.373(9) . ?
C104 C103 1.389(9) . ?
C213 C214 1.376(7) . ?
C213 C5AA 1.498(12) . ?
C213 C218 1.398(13) . ?
C110 C111 1.375(8) . ?
C210 C209 1.379(9) . ?
C210 C211 1.371(8) . ?
F01L B01T 1.359(10) . ?
C205 C206 1.393(8) . ?
C214 C215 1.378(7) . ?
C215 C6AA 1.448(12) . ?
C215 C216 1.336(13) . ?
C5AA C7AA 1.384(14) . ?
C6AA C7AA 1.399(16) . ?
C216 C217 1.384(18) . ?
C218 C217 1.390(17) . ?

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
P2 Ir1 P1 178.76(4) . . ?
O2 Ir1 P1 86.87(9) . . ?
O2 Ir1 P2 91.90(9) . . ?
C4 Ir1 P1 87.88(12) . . ?
C4 Ir1 P2 92.20(12) . . ?
C4 Ir1 O2 90.02(14) . . ?
C4 Ir1 C1 80.48(17) . . ?
C1 Ir1 P1 96.97(12) . . ?
C1 Ir1 P2 84.26(12) . . ?
C1 Ir1 O2 169.58(14) . . ?
C8 Ir1 P1 89.83(14) . . ?
C8 Ir1 P2 90.29(14) . . ?
C8 Ir1 O2 99.08(15) . . ?
C8 Ir1 C4 170.48(17) . . ?
C8 Ir1 C1 90.64(18) . . ?
C107 P1 Ir1 112.46(16) . . ?
C101 P1 Ir1 115.44(15) . . ?
C101 P1 C107 103.2(2) . . ?
C113 P1 Ir1 111.91(14) . . ?
C113 P1 C107 103.4(2) . . ?
C113 P1 C101 109.4(2) . . ?
C207 P2 Ir1 111.15(15) . . ?
C201 P2 Ir1 103.69(16) . . ?
C201 P2 C207 108.0(2) . . ?
C201 P2 C213 108.1(2) . . ?
C213 P2 Ir1 119.4(2) . . ?
C213 P2 C207 106.0(2) . . ?
C7 O2 Ir1 125.9(3) . . ?
C14 O7 C15 115.0(4) . . ?
C3 C4 Ir1 115.7(3) . . ?
C3 C4 C5 121.5(4) . . ?
C5 C4 Ir1 122.7(3) . . ?
C203 C202 C1 119.4(4) . . ?
C201 C202 C1 121.8(4) . . ?
C201 C202 C203 118.7(4) . . ?
C12 O5 C13 115.8(5) . . ?
C4 C3 C2 115.9(4) . . ?
C108 C107 P1 120.4(4) . . ?
C108 C107 C112 119.3(4) . . ?
C112 C107 P1 120.2(4) . . ?
C102 C101 P1 125.0(3) . . ?
C102 C101 C106 119.2(4) . . ?
C106 C101 P1 115.8(4) . . ?
O1 C2 C3 124.7(4) . . ?
O1 C2 C1 121.7(4) . . ?
C3 C2 C1 113.6(4) . . ?
C202 C1 Ir1 114.9(3) . . ?
C2 C1 Ir1 107.3(3) . . ?
C2 C1 C202 105.0(3) . . ?
C204 C203 C202 120.7(5) . . ?
O7 C14 C10 110.1(4) . . ?
O6 C14 O7 123.4(4) . . ?
O6 C14 C10 126.4(4) . . ?
C4 C5 C9 122.4(4) . . ?
C6 C5 C4 126.4(4) . . ?
C6 C5 C9 111.2(4) . . ?
C118 C113 P1 118.3(4) . . ?
C114 C113 P1 122.5(3) . . ?
C114 C113 C118 118.9(4) . . ?
C5 C6 C7 127.3(4) . . ?
C5 C6 C11 112.4(4) . . ?
C7 C6 C11 120.2(4) . . ?
O3 C8 Ir1 172.9(4) . . ?
O2 C7 C6 127.5(4) . . ?
C103 C102 C101 119.6(5) . . ?
C208 C207 P2 122.6(4) . . ?
C208 C207 C212 118.8(5) . . ?
C212 C207 P2 118.4(4) . . ?
C205 C204 C203 120.6(5) . . ?
C14 C10 C9 110.8(4) . . ?
C14 C10 C11 112.9(4) . . ?
C14 C10 C12 104.1(4) . . ?
C11 C10 C9 106.7(4) . . ?
C12 C10 C9 110.6(4) . . ?
C12 C10 C11 111.7(4) . . ?
C5 C9 C10 105.1(4) . . ?
C109 C108 C107 120.0(5) . . ?
C111 C112 C107 119.6(5) . . ?
C209 C208 C207 120.0(5) . . ?
C117 C118 C113 120.3(5) . . ?
C105 C106 C101 120.7(5) . . ?
C117 C116 C115 119.5(5) . . ?
C211 C212 C207 120.3(5) . . ?
C6 C11 C10 104.3(3) . . ?
C110 C109 C108 120.3(5) . . ?
C113 C114 C115 120.1(5) . . ?
C202 C201 P2 114.8(3) . . ?
C202 C201 C206 120.6(4) . . ?
C206 C201 P2 124.5(4) . . ?
C105 C104 C103 120.4(5) . . ?
O4 C12 O5 124.8(5) . . ?
O4 C12 C10 126.0(5) . . ?
O5 C12 C10 109.3(4) . . ?
C116 C115 C114 120.3(5) . . ?
C214 C213 P2 121.1(4) . . ?
C214 C213 C5AA 117.3(6) . . ?
C214 C213 C218 111.8(6) . . ?
C5AA C213 P2 116.1(5) . . ?
C218 C213 P2 120.9(6) . . ?
C104 C105 C106 119.7(5) . . ?
C109 C110 C111 120.3(5) . . ?
C110 C111 C112 120.5(5) . . ?
C211 C210 C209 119.6(5) . . ?
C210 C209 C208 120.8(6) . . ?
C204 C205 C206 119.9(4) . . ?
C118 C117 C116 120.9(5) . . ?
C104 C103 C102 120.4(5) . . ?
C210 C211 C212 120.5(5) . . ?
C205 C206 C201 119.4(5) . . ?
F00H B01T F009 103.9(6) . . ?
F00H B01T F00U 108.8(7) . . ?
F00U B01T F009 104.0(7) . . ?
F01L B01T F009 111.4(6) . . ?
F01L B01T F00H 112.1(7) . . ?
F01L B01T F00U 115.6(8) . . ?
C213 C214 C215 122.2(5) . . ?
C214 C215 C6AA 116.4(6) . . ?
C216 C215 C214 119.7(7) . . ?
C7AA C5AA C213 118.1(9) . . ?
C7AA C6AA C215 121.7(8) . . ?
C5AA C7AA C6AA 120.1(10) . . ?
C215 C216 C217 118.5(10) . . ?
C217 C218 C213 122.4(11) . . ?
C216 C217 C218 119.4(12) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
