# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_sq
_database_code_depnum_ccdc_archive 'CCDC 1901587'
loop_
_audit_author_name
_audit_author_address
sdir
;Northeast Normal University
China
;
_audit_update_record             
;
2019-03-07 deposited with the CCDC.	2019-10-03 downloaded from the CCDC.
;
_audit_creation_date             2018-12-18
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C64 H44 F8 Ir2 N14, 2(F6 P)'
_chemical_formula_sum            'C64 H44 F20 Ir2 N14 P2'
_chemical_formula_weight         1835.47
_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'
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'
P P 0.1023 0.0942 '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                   9.0935(6)
_cell_length_b                   13.5384(10)
_cell_length_c                   16.5246(11)
_cell_angle_alpha                66.373(3)
_cell_angle_beta                 79.409(3)
_cell_angle_gamma                75.388(3)
_cell_volume                     1795.7(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9935
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.127
_cell_measurement_theta_min      1.628
_shelx_estimated_absorpt_T_max   0.513
_shelx_estimated_absorpt_T_min   0.459
_exptl_absorpt_coefficient_mu    3.847
_exptl_absorpt_correction_T_max  0.87
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Krause et al., 2015) was used for absorption correction.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            green
_exptl_crystal_colour_primary    green
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             890
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0833
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            48681
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.066
_diffrn_reflns_theta_max         25.066
_diffrn_reflns_theta_min         2.325
_diffrn_ambient_temperature      296.38
_diffrn_detector                 'charge-coupled device (CCD) area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'Bruker APEX II'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX II Quazar'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_detector       'Bruker APEX II'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5010
_reflns_number_total             6335
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_collection       'APEX3 Ver. 2016.5-0 (Bruker-AXS, 2016)'
_computing_data_reduction        'SAINT+ Ver. 2016.5-0 (Bruker-AXS, 2016)'
_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    'XT (Sheldrick, 2015a)'
_refine_diff_density_max         1.690
_refine_diff_density_min         -1.151
_refine_diff_density_rms         0.139
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         6335
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0791
_refine_ls_R_factor_gt           0.0557
_refine_ls_restrained_S_all      1.083
_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)+(0.0350P)²+17.5531P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1185
_refine_ls_wR_factor_ref         0.1312
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Rigid bond restraints
 C17, C21
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 C27, C29
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
 C19, C21
 with sigma for 1-2 distances of 0.02 and sigma for 1-3 distances of 0.01
3.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C20(H20A,H20B)
3.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C8(H8), C11(H11), C12(H12), C14(H14), C15(H15), C21(H21),
 C22(H22), C23(H23), C24(H24), C25(H25), C27(H27), C28(H28), C29(H29), C30(H30),
  C31(H31), C32(H32)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 0.25610(5) 0.58935(3) 0.25507(2) 0.04672(15) Uani 1 1 d . . . . .
P1 P 0.4178(5) 0.2156(3) 0.0978(2) 0.0871(12) Uani 1 1 d . . . . .
N1 N 0.2009(9) 0.6075(5) 0.1279(4) 0.0422(18) Uani 1 1 d . . . . .
N2 N 0.0398(9) 0.7023(7) 0.2387(5) 0.054(2) Uani 1 1 d . . . . .
N3 N 0.1830(9) 0.4449(7) 0.3099(5) 0.056(2) Uani 1 1 d . . . . .
N4 N 0.3449(11) 0.7217(7) 0.2119(5) 0.061(2) Uani 1 1 d . . . . .
C1 C 0.4609(9) 0.4878(7) 0.2550(5) 0.0360(19) Uani 1 1 d . . . . .
C2 C 0.2901(10) 0.5815(7) 0.3753(6) 0.039(2) Uani 1 1 d . . . . .
F1 F 0.8627(9) 0.4661(10) 0.1874(6) 0.139(4) Uani 1 1 d . . . . .
N5 N -0.1045(10) 0.8370(7) 0.1387(6) 0.068(3) Uani 1 1 d . . . . .
F2 F 0.2590(11) 0.4383(9) 0.6124(5) 0.134(4) Uani 1 1 d . . . . .
C3 C 0.0008(11) 0.7420(8) 0.1560(6) 0.054(3) Uani 1 1 d . . . . .
C4 C 0.4604(13) 0.3767(8) 0.2878(6) 0.057(3) Uani 1 1 d . . . . .
C5 C 0.0708(11) 0.6813(7) 0.0983(6) 0.050(2) Uani 1 1 d . . . . .
F3 F 0.5811(13) 0.1901(6) 0.3298(7) 0.151(4) Uani 1 1 d . . . . .
C6 C 0.2734(12) 0.5441(8) 0.0830(6) 0.053(3) Uani 1 1 d . . . . .
H6 H 0.362169 0.493809 0.103065 0.064 Uiso 1 1 calc R . . . .
N6 N 0.3055(13) 0.3526(8) 0.3182(7) 0.079(3) Uani 1 1 d . . . . .
F4 F 0.4323(12) 0.1246(8) 0.1930(6) 0.139(4) Uani 1 1 d . . . . .
C7 C 0.2574(11) 0.5028(9) 0.4560(7) 0.058(3) Uani 1 1 d . . . . .
H7 H 0.217240 0.444269 0.459471 0.069 Uiso 1 1 calc R . . . .
C8 C 0.5994(12) 0.5214(10) 0.2192(6) 0.065(3) Uani 1 1 d . . . . .
H8 H 0.604989 0.595511 0.194327 0.078 Uiso 1 1 calc R . . . .
C9 C 0.3513(13) 0.6673(9) 0.3741(8) 0.064(3) Uani 1 1 d . . . . .
N7 N 0.3758(13) 0.7467(9) 0.2830(7) 0.082(3) Uani 1 1 d . . . . .
C10 C -0.1324(13) 0.8598(9) 0.2157(8) 0.071(3) Uani 1 1 d . . . . .
F5 F 0.4018(16) 0.3029(8) 0.0023(6) 0.183(6) Uani 1 1 d . . . . .
C11 C 0.2206(14) 0.5508(9) 0.0071(7) 0.066(3) Uani 1 1 d . . . . .
H11 H 0.273782 0.506107 -0.023647 0.080 Uiso 1 1 calc R . . . .
C12 C 0.0887(14) 0.6242(9) -0.0222(7) 0.072(3) Uani 1 1 d . . . . .
H12 H 0.050523 0.629092 -0.072437 0.086 Uiso 1 1 calc R . . . .
C13 C 0.2858(14) 0.5119(12) 0.5342(7) 0.075(4) Uani 1 1 d . . . . .
F6 F 0.4304(13) 0.7617(10) 0.4442(8) 0.167(5) Uani 1 1 d . . . . .
C14 C 0.0651(15) 0.4005(11) 0.3352(9) 0.081(4) Uani 1 1 d . . . . .
H14 H -0.032824 0.443133 0.328278 0.097 Uiso 1 1 calc R . . . .
C15 C 0.0142(14) 0.6900(9) 0.0236(7) 0.073(4) Uani 1 1 d . . . . .
H15 H -0.074603 0.740629 0.004116 0.088 Uiso 1 1 calc R . . . .
C16 C -0.1609(16) 0.9137(10) 0.0520(8) 0.084(4) Uani 1 1 d . . . . .
H16A H -0.242074 0.971336 0.061239 0.101 Uiso 1 1 calc R . . . .
H16B H -0.203243 0.873994 0.027356 0.101 Uiso 1 1 calc R . . . .
C17 C 0.5884(18) 0.2992(11) 0.2921(9) 0.089(4) Uani 1 1 d . U . . .
C18 C -0.0430(13) 0.7756(9) 0.2775(7) 0.069(3) Uani 1 1 d . . . . .
F7 F 0.5636(17) 0.1511(11) 0.0675(7) 0.231(9) Uani 1 1 d . . . . .
C19 C 0.7340(14) 0.4366(16) 0.2225(8) 0.088(4) Uani 1 1 d . U . . .
C20 C -0.0356(17) 0.9655(9) -0.0138(8) 0.086(4) Uani 1 1 d . . . . .
H20A H 0.043870 0.907299 -0.023560 0.103 Uiso 1 1 calc R . . . .
H20B H -0.077766 1.011014 -0.069955 0.103 Uiso 1 1 calc R . . . .
C21 C 0.7214(18) 0.3205(16) 0.2618(10) 0.106(5) Uani 1 1 d . U . . .
H21 H 0.806789 0.264716 0.264654 0.127 Uiso 1 1 calc R . . . .
C22 C 0.3444(16) 0.5990(15) 0.5296(10) 0.090(5) Uani 1 1 d . . . . .
H22 H 0.362175 0.605035 0.580877 0.109 Uiso 1 1 calc R . . . .
C23 C 0.3752(16) 0.8070(10) 0.1446(9) 0.088(4) Uani 1 1 d . . . . .
H23 H 0.354552 0.817795 0.088240 0.106 Uiso 1 1 calc R . . . .
C24 C -0.2321(17) 0.9457(11) 0.2367(10) 0.107(5) Uani 1 1 d . . . . .
H24 H -0.293072 1.002476 0.195497 0.128 Uiso 1 1 calc R . . . .
C25 C -0.0499(16) 0.7695(12) 0.3643(8) 0.098(5) Uani 1 1 d . . . . .
H25 H 0.008921 0.711736 0.406032 0.118 Uiso 1 1 calc R . . . .
F8 F 0.2600(14) 0.2781(9) 0.1284(8) 0.185(6) Uani 1 1 d . . . . .
F9 F 0.4862(19) 0.2866(11) 0.1221(10) 0.207(6) Uani 1 1 d . . . . .
C26 C 0.3752(15) 0.6748(14) 0.4492(12) 0.092(5) Uani 1 1 d . . . . .
C27 C 0.0876(18) 0.2926(12) 0.3712(11) 0.110(6) Uani 1 1 d . U . . .
H27 H 0.015767 0.248994 0.401793 0.132 Uiso 1 1 calc R . . . .
C28 C 0.434(2) 0.8770(12) 0.1559(11) 0.120(6) Uani 1 1 d . . . . .
H28 H 0.472429 0.936458 0.112911 0.144 Uiso 1 1 calc R . . . .
C29 C 0.238(2) 0.2598(11) 0.3537(11) 0.105(5) Uani 1 1 d . U . . .
H29 H 0.288638 0.187715 0.363474 0.126 Uiso 1 1 calc R . . . .
C30 C -0.235(2) 0.9414(14) 0.3209(11) 0.142(8) Uani 1 1 d . . . . .
H30 H -0.295649 0.998404 0.336761 0.170 Uiso 1 1 calc R . . . .
C31 C 0.427(2) 0.8435(12) 0.2460(13) 0.118(6) Uani 1 1 d . . . . .
H31 H 0.453226 0.880006 0.276859 0.141 Uiso 1 1 calc R . . . .
C32 C -0.147(2) 0.8520(15) 0.3849(11) 0.137(8) Uani 1 1 d . . . . .
H32 H -0.155741 0.850176 0.442456 0.164 Uiso 1 1 calc R . . . .
F10 F 0.319(2) 0.1489(11) 0.0821(12) 0.262(10) 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 N1 2.154(6) . ?
Ir1 N2 2.151(7) . ?
Ir1 N3 2.026(9) . ?
Ir1 N4 1.965(9) . ?
Ir1 C1 2.016(8) . ?
Ir1 C2 2.024(8) . ?
P1 F4 1.566(9) . ?
P1 F5 1.552(9) . ?
P1 F7 1.514(10) . ?
P1 F8 1.580(11) . ?
P1 F9 1.474(11) . ?
P1 F10 1.541(13) . ?
N1 C5 1.364(11) . ?
N1 C6 1.330(11) . ?
N2 C3 1.333(11) . ?
N2 C18 1.384(11) . ?
N3 N6 1.428(12) . ?
N3 C14 1.282(14) . ?
N4 N7 1.436(12) . ?
N4 C23 1.290(14) . ?
C1 C4 1.380(13) . ?
C1 C8 1.394(14) . ?
C2 C7 1.370(13) . ?
C2 C9 1.402(14) . ?
F1 C19 1.291(15) . ?
N5 C3 1.356(11) . ?
N5 C10 1.390(13) . ?
N5 C16 1.484(12) . ?
F2 C13 1.303(13) . ?
C3 C5 1.458(12) . ?
C4 N6 1.479(15) . ?
C4 C17 1.347(15) . ?
C5 C15 1.375(13) . ?
F3 C17 1.367(17) . ?
C6 H6 0.9300 . ?
C6 C11 1.386(13) . ?
N6 C29 1.402(17) . ?
C7 H7 0.9300 . ?
C7 C13 1.421(16) . ?
C8 H8 0.9300 . ?
C8 C19 1.444(18) . ?
C9 N7 1.474(15) . ?
C9 C26 1.344(16) . ?
N7 C31 1.368(16) . ?
C10 C18 1.382(14) . ?
C10 C24 1.404(14) . ?
C11 H11 0.9300 . ?
C11 C12 1.374(14) . ?
C12 H12 0.9300 . ?
C12 C15 1.368(14) . ?
C13 C22 1.382(19) . ?
F6 C26 1.359(16) . ?
C14 H14 0.9300 . ?
C14 C27 1.314(18) . ?
C15 H15 0.9300 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C16 C20 1.519(19) . ?
C17 C21 1.28(2) . ?
C18 C25 1.395(14) . ?
C19 C21 1.47(2) . ?
C20 C20 1.50(2) 2_575 ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
C22 C26 1.35(2) . ?
C23 H23 0.9300 . ?
C23 C28 1.288(19) . ?
C24 H24 0.9300 . ?
C24 C30 1.365(18) . ?
C25 H25 0.9300 . ?
C25 C32 1.355(16) . ?
C27 H27 0.9300 . ?
C27 C29 1.34(2) . ?
C28 H28 0.9300 . ?
C28 C31 1.37(2) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C30 C32 1.42(2) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?

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
N2 Ir1 N1 76.5(3) . . ?
N3 Ir1 N1 89.1(3) . . ?
N3 Ir1 N2 99.8(3) . . ?
N4 Ir1 N1 96.3(3) . . ?
N4 Ir1 N2 85.2(4) . . ?
N4 Ir1 N3 173.3(3) . . ?
N4 Ir1 C1 93.6(4) . . ?
N4 Ir1 C2 83.2(3) . . ?
C1 Ir1 N1 97.2(3) . . ?
C1 Ir1 N2 173.3(3) . . ?
C1 Ir1 N3 81.9(3) . . ?
C1 Ir1 C2 87.9(3) . . ?
C2 Ir1 N1 174.9(3) . . ?
C2 Ir1 N2 98.4(3) . . ?
C2 Ir1 N3 91.7(3) . . ?
F4 P1 F8 91.9(6) . . ?
F5 P1 F4 177.9(7) . . ?
F5 P1 F8 88.6(6) . . ?
F7 P1 F4 87.8(6) . . ?
F7 P1 F5 91.6(6) . . ?
F7 P1 F8 176.4(10) . . ?
F7 P1 F10 92.1(10) . . ?
F9 P1 F4 90.9(7) . . ?
F9 P1 F5 91.2(8) . . ?
F9 P1 F7 98.3(10) . . ?
F9 P1 F8 85.3(9) . . ?
F9 P1 F10 169.2(11) . . ?
F10 P1 F4 87.0(7) . . ?
F10 P1 F5 91.1(8) . . ?
F10 P1 F8 84.3(10) . . ?
C5 N1 Ir1 115.8(5) . . ?
C6 N1 Ir1 124.7(6) . . ?
C6 N1 C5 119.0(7) . . ?
C3 N2 Ir1 112.6(6) . . ?
C3 N2 C18 106.5(8) . . ?
C18 N2 Ir1 135.8(6) . . ?
N6 N3 Ir1 112.3(7) . . ?
C14 N3 Ir1 144.8(8) . . ?
C14 N3 N6 102.6(10) . . ?
N7 N4 Ir1 112.4(7) . . ?
C23 N4 Ir1 146.5(9) . . ?
C23 N4 N7 100.5(10) . . ?
C4 C1 Ir1 116.5(7) . . ?
C4 C1 C8 118.1(9) . . ?
C8 C1 Ir1 125.2(7) . . ?
C7 C2 Ir1 126.7(7) . . ?
C7 C2 C9 118.0(9) . . ?
C9 C2 Ir1 115.3(7) . . ?
C3 N5 C10 106.4(8) . . ?
C3 N5 C16 128.0(9) . . ?
C10 N5 C16 124.8(8) . . ?
N2 C3 N5 111.7(8) . . ?
N2 C3 C5 119.0(8) . . ?
N5 C3 C5 129.3(8) . . ?
C1 C4 N6 112.8(9) . . ?
C17 C4 C1 123.2(13) . . ?
C17 C4 N6 124.0(12) . . ?
N1 C5 C3 112.9(7) . . ?
N1 C5 C15 120.8(8) . . ?
C15 C5 C3 126.2(9) . . ?
N1 C6 H6 119.1 . . ?
N1 C6 C11 121.9(9) . . ?
C11 C6 H6 119.1 . . ?
N3 N6 C4 116.5(9) . . ?
C29 N6 N3 105.9(11) . . ?
C29 N6 C4 137.6(11) . . ?
C2 C7 H7 120.5 . . ?
C2 C7 C13 118.9(11) . . ?
C13 C7 H7 120.5 . . ?
C1 C8 H8 121.3 . . ?
C1 C8 C19 117.3(12) . . ?
C19 C8 H8 121.3 . . ?
C2 C9 N7 111.4(9) . . ?
C26 C9 C2 121.9(12) . . ?
C26 C9 N7 126.7(12) . . ?
N4 N7 C9 117.5(9) . . ?
C31 N7 N4 107.6(12) . . ?
C31 N7 C9 134.9(13) . . ?
N5 C10 C24 131.5(10) . . ?
C18 C10 N5 107.1(8) . . ?
C18 C10 C24 121.4(10) . . ?
C6 C11 H11 120.4 . . ?
C12 C11 C6 119.1(9) . . ?
C12 C11 H11 120.4 . . ?
C11 C12 H12 120.4 . . ?
C15 C12 C11 119.2(9) . . ?
C15 C12 H12 120.4 . . ?
F2 C13 C7 121.4(14) . . ?
F2 C13 C22 117.8(13) . . ?
C22 C13 C7 120.8(11) . . ?
N3 C14 H14 121.2 . . ?
N3 C14 C27 117.7(13) . . ?
C27 C14 H14 121.2 . . ?
C5 C15 H15 120.0 . . ?
C12 C15 C5 120.0(9) . . ?
C12 C15 H15 120.0 . . ?
N5 C16 H16A 109.1 . . ?
N5 C16 H16B 109.1 . . ?
N5 C16 C20 112.4(10) . . ?
H16A C16 H16B 107.9 . . ?
C20 C16 H16A 109.1 . . ?
C20 C16 H16B 109.1 . . ?
C4 C17 F3 120.4(16) . . ?
C21 C17 C4 123.8(16) . . ?
C21 C17 F3 115.8(13) . . ?
N2 C18 C25 129.5(10) . . ?
C10 C18 N2 108.3(9) . . ?
C10 C18 C25 122.1(9) . . ?
F1 C19 C8 118.2(16) . . ?
F1 C19 C21 121.7(15) . . ?
C8 C19 C21 120.1(13) . . ?
C16 C20 H20A 108.5 . . ?
C16 C20 H20B 108.5 . . ?
C20 C20 C16 115.1(15) 2_575 . ?
C20 C20 H20A 108.5 2_575 . ?
C20 C20 H20B 108.5 2_575 . ?
H20A C20 H20B 107.5 . . ?
C17 C21 C19 117.3(14) . . ?
C17 C21 H21 121.3 . . ?
C19 C21 H21 121.3 . . ?
C13 C22 H22 120.7 . . ?
C26 C22 C13 118.6(12) . . ?
C26 C22 H22 120.7 . . ?
N4 C23 H23 120.2 . . ?
C28 C23 N4 119.6(15) . . ?
C28 C23 H23 120.2 . . ?
C10 C24 H24 121.8 . . ?
C30 C24 C10 116.3(11) . . ?
C30 C24 H24 121.8 . . ?
C18 C25 H25 121.7 . . ?
C32 C25 C18 116.6(12) . . ?
C32 C25 H25 121.7 . . ?
C9 C26 F6 119.3(16) . . ?
C9 C26 C22 121.7(14) . . ?
C22 C26 F6 118.9(14) . . ?
C14 C27 H27 127.9 . . ?
C14 C27 C29 104.2(13) . . ?
C29 C27 H27 127.9 . . ?
C23 C28 H28 128.2 . . ?
C23 C28 C31 103.6(14) . . ?
C31 C28 H28 128.2 . . ?
N6 C29 H29 125.8 . . ?
C27 C29 N6 108.4(12) . . ?
C27 C29 H29 125.8 . . ?
C24 C30 H30 119.1 . . ?
C24 C30 C32 121.7(12) . . ?
C32 C30 H30 119.1 . . ?
N7 C31 H31 126.0 . . ?
C28 C31 N7 108.1(14) . . ?
C28 C31 H31 126.0 . . ?
C25 C32 C30 121.8(13) . . ?
C25 C32 H32 119.1 . . ?
C30 C32 H32 119.1 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
