# 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.cc22yn0q
_database_code_depnum_ccdc_archive 'CCDC 1935113'
loop_
_audit_author_name
_audit_author_address
'Zhao Chen'
;Wuyi University
China
;
_audit_update_record             
;
2019-06-19 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            'C31 H13 F11 Ir N5'
_chemical_formula_weight         856.66

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'
F F 0.0171 0.0103 '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'
H H 0.0000 0.0000 '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 21/n'
_space_group_name_Hall           '-P 2yn'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.637(3)
_cell_length_b                   18.476(5)
_cell_length_c                   15.369(4)
_cell_angle_alpha                90
_cell_angle_beta                 93.37(2)
_cell_angle_gamma                90
_cell_volume                     2731.9(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    173(2)
_cell_measurement_reflns_used    9890
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      35.40

_exptl_crystal_description       needle
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.083
_exptl_crystal_F_000             1640
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_exptl_absorpt_coefficient_mu    4.997
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4220
_exptl_absorpt_correction_T_max  0.7470
_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            71043
_diffrn_reflns_av_unetI/netI     0.0265
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.725
_diffrn_reflns_theta_max         35.468
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             12407
_reflns_number_gt                10063
_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)+(0.0455P)²+9.9037P] 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         12407
_refine_ls_number_parameters     490
_refine_ls_number_restraints     127
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.1028
_refine_ls_wR_factor_gt          0.0938
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_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 0.46246(2) 0.73594(2) 0.48749(2) 0.01797(4) Uani 1 1 d . . . . .
N1 N 0.3749(3) 0.64035(15) 0.52143(18) 0.0221(5) Uani 1 1 d . . . . .
N2 N 0.5587(3) 0.83083(15) 0.4595(2) 0.0223(5) Uani 1 1 d . . . . .
N3 N 0.2819(3) 0.78360(16) 0.42490(19) 0.0221(5) Uani 1 1 d . . . . .
N4 N 0.4616(3) 0.69286(15) 0.36247(18) 0.0210(5) Uani 1 1 d . . . . .
N5 N 0.5372(3) 0.64166(16) 0.32500(19) 0.0243(5) Uani 1 1 d . . . . .
F1 F 0.8070(3) 0.77182(13) 0.51454(18) 0.0315(5) Uani 1 1 d . . . . .
F2 F 1.0028(3) 0.69541(18) 0.5998(2) 0.0471(7) Uani 1 1 d . . . . .
F3 F 0.9450(3) 0.5658(2) 0.6717(2) 0.0591(9) Uani 1 1 d . . . . .
F4 F 0.6879(3) 0.51148(16) 0.6567(2) 0.0490(7) Uani 1 1 d . . . . .
F5 F 0.3207(3) 0.70278(16) 0.68073(16) 0.0389(6) Uani 1 1 d . . . . .
F6 F 0.3407(4) 0.7811(2) 0.82604(18) 0.0532(8) Uani 1 1 d . . . . .
F7 F 0.4775(4) 0.9085(2) 0.8323(2) 0.0633(10) Uani 1 1 d . . . . .
F8 F 0.5912(4) 0.96054(18) 0.6902(2) 0.0584(9) Uani 1 1 d . . . . .
F9 F 0.6564(9) 0.6043(4) 0.1544(6) 0.054(2) Uani 0.667(19) 1 d D U P A 1
F10 F 0.5619(13) 0.5159(3) 0.2160(5) 0.056(3) Uani 0.667(19) 1 d D U P A 1
F11 F 0.4540(9) 0.5711(6) 0.1117(5) 0.066(3) Uani 0.667(19) 1 d D U P A 1
F9' F 0.6732(12) 0.5764(19) 0.193(2) 0.059(9) Uani 0.168(17) 1 d D U P A 2
F10' F 0.488(4) 0.5153(9) 0.1984(18) 0.050(7) Uani 0.168(17) 1 d D U P A 2
F11' F 0.502(3) 0.5957(14) 0.1024(9) 0.047(7) Uani 0.168(17) 1 d D U P A 2
F9" F 0.635(3) 0.5391(17) 0.2233(12) 0.055(8) Uani 0.165(14) 1 d D U P A 3
F10" F 0.438(2) 0.5338(16) 0.156(2) 0.063(9) Uani 0.165(14) 1 d D U P A 3
F11" F 0.587(4) 0.6084(12) 0.1163(16) 0.053(7) Uani 0.165(14) 1 d D U P A 3
C1 C 0.2412(4) 0.6239(2) 0.5023(3) 0.0311(7) Uani 1 1 d . . . . .
H1 H 0.1833 0.6586 0.4724 0.037 Uiso 1 1 calc R U . . .
C2 C 0.1841(5) 0.5578(3) 0.5246(3) 0.0395(10) Uani 1 1 d . . . . .
H2 H 0.0890 0.5473 0.5101 0.047 Uiso 1 1 calc R U . . .
C3 C 0.2681(6) 0.5081(2) 0.5682(3) 0.0424(10) Uani 1 1 d . . . . .
H3 H 0.2311 0.4630 0.5856 0.051 Uiso 1 1 calc R U . . .
C4 C 0.4072(5) 0.5239(2) 0.5868(3) 0.0342(8) Uani 1 1 d . . . . .
H4 H 0.4665 0.4893 0.6156 0.041 Uiso 1 1 calc R U . . .
C5 C 0.4596(4) 0.59072(19) 0.5629(2) 0.0255(6) Uani 1 1 d . . . . .
C6 C 0.6041(4) 0.61544(18) 0.5763(2) 0.0246(6) Uani 1 1 d . . . . .
C7 C 0.6325(4) 0.68393(17) 0.5398(2) 0.0204(5) Uani 1 1 d . . . . .
C8 C 0.7681(4) 0.7075(2) 0.5474(2) 0.0250(6) Uani 1 1 d . . . . .
C9 C 0.8741(4) 0.6688(2) 0.5916(3) 0.0322(8) Uani 1 1 d . . . . .
C10 C 0.8434(5) 0.6032(3) 0.6282(3) 0.0376(9) Uani 1 1 d . . . . .
C11 C 0.7111(5) 0.5763(2) 0.6199(3) 0.0333(8) Uani 1 1 d . . . . .
C12 C 0.6060(4) 0.8453(2) 0.3803(3) 0.0308(7) Uani 1 1 d . . . . .
H12 H 0.5936 0.8103 0.3353 0.037 Uiso 1 1 calc R U . . .
C13 C 0.6720(5) 0.9097(3) 0.3628(4) 0.0421(10) Uani 1 1 d . . . . .
H13 H 0.7037 0.9193 0.3066 0.051 Uiso 1 1 calc R U . . .
C14 C 0.6904(6) 0.9596(3) 0.4293(4) 0.0484(13) Uani 1 1 d . . . . .
H14 H 0.7358 1.0042 0.4190 0.058 Uiso 1 1 calc R U . . .
C15 C 0.6436(5) 0.9454(2) 0.5105(4) 0.0415(10) Uani 1 1 d . . . . .
H15 H 0.6574 0.9797 0.5563 0.050 Uiso 1 1 calc R U . . .
C16 C 0.5757(4) 0.88030(19) 0.5251(3) 0.0276(7) Uani 1 1 d . . . . .
C17 C 0.5170(4) 0.8570(2) 0.6064(2) 0.0262(7) Uani 1 1 d . . . . .
C18 C 0.4492(4) 0.78846(19) 0.6027(2) 0.0225(6) Uani 1 1 d . . . . .
C19 C 0.3880(4) 0.7667(2) 0.6776(2) 0.0281(7) Uani 1 1 d . . . . .
C20 C 0.3967(5) 0.8065(3) 0.7542(3) 0.0361(9) Uani 1 1 d . . . . .
C21 C 0.4655(5) 0.8709(3) 0.7577(3) 0.0408(10) Uani 1 1 d . . . . .
C22 C 0.5244(5) 0.8964(2) 0.6838(3) 0.0367(9) Uani 1 1 d . . . . .
C23 C 0.1973(4) 0.8320(2) 0.4602(3) 0.0312(8) Uani 1 1 d . . . . .
H23 H 0.2109 0.8426 0.5206 0.037 Uiso 1 1 calc R U . . .
C24 C 0.0915(5) 0.8668(3) 0.4123(3) 0.0391(10) Uani 1 1 d . . . . .
H24 H 0.0316 0.8995 0.4396 0.047 Uiso 1 1 calc R U . . .
C25 C 0.0743(5) 0.8531(3) 0.3237(3) 0.0375(9) Uani 1 1 d . . . . .
H25 H 0.0046 0.8779 0.2889 0.045 Uiso 1 1 calc R U . . .
C26 C 0.1587(4) 0.8035(2) 0.2865(2) 0.0289(7) Uani 1 1 d . . . . .
H26 H 0.1467 0.7928 0.2261 0.035 Uiso 1 1 calc R U . . .
C27 C 0.2620(4) 0.76911(18) 0.3382(2) 0.0212(5) Uani 1 1 d . . . . .
C28 C 0.3562(4) 0.71520(19) 0.3063(2) 0.0218(6) Uani 1 1 d . . . . .
C29 C 0.3628(4) 0.6773(2) 0.2282(2) 0.0259(6) Uani 1 1 d . . . . .
H29 H 0.3037 0.6810 0.1766 0.031 Uiso 1 1 calc R U . . .
C30 C 0.4766(4) 0.63302(19) 0.2445(2) 0.0256(6) Uani 1 1 d . . . . .
C31 C 0.5361(5) 0.5805(2) 0.1842(3) 0.0340(8) Uani 1 1 d 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 C7 2.025(3) . ?
Ir1 C18 2.030(3) . ?
Ir1 N1 2.038(3) . ?
Ir1 N2 2.041(3) . ?
Ir1 N4 2.079(3) . ?
Ir1 N3 2.129(3) . ?
N1 C1 1.340(5) . ?
N1 C5 1.361(5) . ?
N2 C12 1.352(5) . ?
N2 C16 1.364(5) . ?
N3 C23 1.346(5) . ?
N3 C27 1.362(4) . ?
N4 N5 1.344(4) . ?
N4 C28 1.359(4) . ?
N5 C30 1.347(5) . ?
F1 C8 1.353(4) . ?
F2 C9 1.333(5) . ?
F3 C10 1.343(5) . ?
F4 C11 1.348(5) . ?
F5 C19 1.349(5) . ?
F6 C20 1.342(5) . ?
F7 C21 1.340(5) . ?
F8 C22 1.350(6) . ?
F9 C31 1.346(6) . ?
F10 C31 1.307(6) . ?
F11 C31 1.339(7) . ?
F9' C31 1.323(11) . ?
F10' C31 1.313(12) . ?
F11' C31 1.310(12) . ?
F9" C31 1.338(12) . ?
F10" C31 1.336(12) . ?
F11" C31 1.285(11) . ?
C1 C2 1.391(6) . ?
C1 H1 0.9500 . ?
C2 C3 1.373(7) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(7) . ?
C3 H3 0.9500 . ?
C4 C5 1.390(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.469(6) . ?
C6 C11 1.398(5) . ?
C6 C7 1.418(5) . ?
C7 C8 1.376(5) . ?
C8 C9 1.390(5) . ?
C9 C10 1.377(7) . ?
C10 C11 1.367(7) . ?
C12 C13 1.382(6) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.378(8) . ?
C14 H14 0.9500 . ?
C15 C16 1.393(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.466(6) . ?
C17 C22 1.393(5) . ?
C17 C18 1.425(5) . ?
C18 C19 1.383(5) . ?
C19 C20 1.387(5) . ?
C20 C21 1.361(7) . ?
C21 C22 1.382(7) . ?
C23 C24 1.381(6) . ?
C23 H23 0.9500 . ?
C24 C25 1.387(6) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(6) . ?
C25 H25 0.9500 . ?
C26 C27 1.390(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.452(5) . ?
C28 C29 1.395(5) . ?
C29 C30 1.379(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.481(5) . ?

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
C7 Ir1 C18 88.38(13) . . ?
C7 Ir1 N1 79.92(13) . . ?
C18 Ir1 N1 98.20(13) . . ?
C7 Ir1 N2 97.13(13) . . ?
C18 Ir1 N2 79.98(14) . . ?
N1 Ir1 N2 176.61(12) . . ?
C7 Ir1 N4 98.29(12) . . ?
C18 Ir1 N4 172.79(12) . . ?
N1 Ir1 N4 85.73(11) . . ?
N2 Ir1 N4 96.39(12) . . ?
C7 Ir1 N3 175.29(12) . . ?
C18 Ir1 N3 96.02(12) . . ?
N1 Ir1 N3 97.72(12) . . ?
N2 Ir1 N3 85.34(12) . . ?
N4 Ir1 N3 77.41(11) . . ?
C1 N1 C5 119.5(3) . . ?
C1 N1 Ir1 123.2(3) . . ?
C5 N1 Ir1 117.2(2) . . ?
C12 N2 C16 120.0(3) . . ?
C12 N2 Ir1 122.8(3) . . ?
C16 N2 Ir1 117.2(3) . . ?
C23 N3 C27 118.1(3) . . ?
C23 N3 Ir1 126.2(2) . . ?
C27 N3 Ir1 115.2(2) . . ?
N5 N4 C28 110.2(3) . . ?
N5 N4 Ir1 133.8(2) . . ?
C28 N4 Ir1 115.7(2) . . ?
N4 N5 C30 105.1(3) . . ?
N1 C1 C2 122.3(4) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C3 C2 C1 118.5(4) . . ?
C3 C2 H2 120.7 . . ?
C1 C2 H2 120.7 . . ?
C2 C3 C4 119.7(4) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.7(4) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
N1 C5 C4 120.3(4) . . ?
N1 C5 C6 113.2(3) . . ?
C4 C5 C6 126.5(4) . . ?
C11 C6 C7 119.8(4) . . ?
C11 C6 C5 124.9(3) . . ?
C7 C6 C5 115.2(3) . . ?
C8 C7 C6 116.9(3) . . ?
C8 C7 Ir1 128.8(2) . . ?
C6 C7 Ir1 114.2(3) . . ?
F1 C8 C7 121.9(3) . . ?
F1 C8 C9 115.0(3) . . ?
C7 C8 C9 123.1(4) . . ?
F2 C9 C10 120.5(4) . . ?
F2 C9 C8 120.6(4) . . ?
C10 C9 C8 118.9(4) . . ?
F3 C10 C11 120.6(4) . . ?
F3 C10 C9 119.2(4) . . ?
C11 C10 C9 120.2(4) . . ?
F4 C11 C10 117.4(4) . . ?
F4 C11 C6 121.6(4) . . ?
C10 C11 C6 121.0(4) . . ?
N2 C12 C13 121.9(4) . . ?
N2 C12 H12 119.0 . . ?
C13 C12 H12 119.0 . . ?
C14 C13 C12 118.2(4) . . ?
C14 C13 H13 120.9 . . ?
C12 C13 H13 120.9 . . ?
C15 C14 C13 120.5(4) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 119.5(4) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
N2 C16 C15 119.8(4) . . ?
N2 C16 C17 113.4(3) . . ?
C15 C16 C17 126.8(4) . . ?
C22 C17 C18 119.9(4) . . ?
C22 C17 C16 124.9(4) . . ?
C18 C17 C16 115.2(3) . . ?
C19 C18 C17 116.3(3) . . ?
C19 C18 Ir1 129.7(3) . . ?
C17 C18 Ir1 114.0(3) . . ?
F5 C19 C18 120.9(3) . . ?
F5 C19 C20 116.1(4) . . ?
C18 C19 C20 122.9(4) . . ?
F6 C20 C21 119.4(4) . . ?
F6 C20 C19 120.4(4) . . ?
C21 C20 C19 120.2(4) . . ?
F7 C21 C20 120.3(5) . . ?
F7 C21 C22 120.5(5) . . ?
C20 C21 C22 119.2(4) . . ?
F8 C22 C21 117.2(4) . . ?
F8 C22 C17 121.4(4) . . ?
C21 C22 C17 121.4(4) . . ?
N3 C23 C24 122.7(4) . . ?
N3 C23 H23 118.7 . . ?
C24 C23 H23 118.7 . . ?
C23 C24 C25 118.8(4) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C26 C25 C24 119.4(4) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 119.3(3) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
N3 C27 C26 121.6(3) . . ?
N3 C27 C28 114.2(3) . . ?
C26 C27 C28 124.1(3) . . ?
N4 C28 C29 108.9(3) . . ?
N4 C28 C27 116.9(3) . . ?
C29 C28 C27 134.2(3) . . ?
C30 C29 C28 102.6(3) . . ?
C30 C29 H29 128.7 . . ?
C28 C29 H29 128.7 . . ?
N5 C30 C29 113.2(3) . . ?
N5 C30 C31 119.3(4) . . ?
C29 C30 C31 127.4(3) . . ?
F11' C31 F10' 106.6(11) . . ?
F11' C31 F9' 107.3(11) . . ?
F10' C31 F9' 107.1(11) . . ?
F11" C31 F10" 106.9(11) . . ?
F11" C31 F9" 107.4(10) . . ?
F10" C31 F9" 104.6(10) . . ?
F10 C31 F11 106.5(5) . . ?
F10 C31 F9 106.1(5) . . ?
F11 C31 F9 103.8(5) . . ?
F11" C31 C30 115.1(11) . . ?
F10 C31 C30 115.9(4) . . ?
F11' C31 C30 112.0(11) . . ?
F10' C31 C30 110.0(12) . . ?
F9' C31 C30 113.4(9) . . ?
F10" C31 C30 109.5(10) . . ?
F9" C31 C30 112.7(9) . . ?
F11 C31 C30 111.9(5) . . ?
F9 C31 C30 111.8(4) . . ?

_refine_diff_density_max         8.224
_refine_diff_density_min         -2.331
_refine_diff_density_rms         0.210

