# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_mcconnell28
_database_code_depnum_ccdc_archive 'CCDC 2142653'
loop_
_audit_author_name
_audit_author_address
'Christian Nather'
;University of Kiel
Germany
;
_audit_update_record             
;
2022-01-17 deposited with the CCDC.	2022-04-20 downloaded from the CCDC.
;
_audit_creation_date             2021-09-06
_audit_creation_method           
;
Olex2 1.3-ac4
(compiled 2020.11.27 svn.r5f609507 for Rigaku Oxford Diffraction, GUI svn.r6214)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C19 H12 F2 N2'
_chemical_formula_sum            'C19 H12 F2 N2'
_chemical_formula_weight         306.31
_chemical_melting_point          ?
_chemical_oxdiff_formula         C19H12F2N2
_chemical_oxdiff_usercomment     'M. Lehr  ML-24-16A'
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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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                   6.91900(10)
_cell_length_b                   8.13080(10)
_cell_length_c                   13.4122(2)
_cell_angle_alpha                82.2840(10)
_cell_angle_beta                 84.2680(10)
_cell_angle_gamma                77.2190(10)
_cell_volume                     727.248(18)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    12656
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      77.5000
_cell_measurement_theta_min      3.3250
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.841
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83360
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.41.115a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             316
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0171
_diffrn_reflns_av_unetI/netI     0.0099
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18340
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         78.047
_diffrn_reflns_theta_min         3.334
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -72.00 -25.00   0.50    2.00    --  -47.54 -77.00 -90.00   94
  2  ω    -59.00 -25.00   0.50    2.00    --  -47.54 -77.00 -30.00   68
  3  ω    -70.00 -25.00   0.50    2.00    --  -47.54 -77.00  30.00   90
  4  ω    -74.00 -34.00   0.50    2.00    --  -47.54 -38.00-150.00   80
  5  ω    -71.00 -30.00   0.50    2.00    --  -47.54 -63.00  53.00   82
  6  ω    -59.00 -25.00   0.50    2.00    --  -47.54 -77.00  90.00   68
  7  ω   -116.00 -80.00   0.50    2.00    --  -47.54 -77.00  30.00   72
  8  ω   -116.00 -89.00   0.50    2.00    --  -47.54 -77.00  90.00   54
  9  ω    -61.00 -26.00   0.50    2.00    --  -47.54 -77.00-180.00   70
 10  ω    -67.00 -33.00   0.50    2.00    --  -47.54 -57.00 120.00   68
 11  ω    -77.00 -35.00   0.50    2.00    --  -47.54 -19.00-120.00   84
 12  ω    -73.00 -27.00   0.50    2.00    --  -47.54 -77.00-150.00   92
 13  ω    -59.00 -34.00   0.50    2.00    --  -47.54 -57.00-150.00   50
 14  ω   -118.00 -65.00   0.50    2.00    --  -47.54 -77.00-180.00  106
 15  ω   -118.00 -93.00   0.50    2.00    --  -47.54 -57.00 120.00   50
 16  ω     35.00  90.00   0.50    2.00    --   47.54-125.00-150.00  110
 17  ω     37.00  90.00   0.50    2.00    --   47.54-125.00  30.00  106
 18  ω     26.00  62.00   0.50    2.00    --   47.54  77.00-180.00   72
 19  ω     27.00  53.00   0.50    2.00    --   47.54  77.00  30.00   52
 20  ω     42.00  94.00   0.50    2.00    --   47.54-125.00 -60.00  104
 21  ω     52.00 122.00   0.50    2.00    --   47.54  19.00   0.00  140
 22  ω    -99.00 -70.00   0.50    6.00    --  -87.75 -63.00 -60.91   58
 23  ω    -92.00 -66.00   0.50    6.00    --  -87.75 -74.00 172.05   52
 24  ω    -91.00 -65.00   0.50    6.00    --  -87.75 -76.00   1.51   52
 25  ω    -95.00 -69.00   0.50    6.00    --  -87.75 -68.00-176.49   52
 26  ω   -160.00-131.00   0.50    6.00    --  -87.75 -72.00-114.09   58
 27  ω   -157.00-131.00   0.50    6.00    --  -87.75 -68.00-176.49   52
 28  ω   -104.00 -66.00   0.50    6.00    --  -87.75 -75.00-124.92   76
 29  ω   -157.00-132.00   0.50    6.00    --  -87.75 -75.00-124.92   50
 30  ω   -155.00-129.00   0.50    6.00    --  -87.75 -77.00 -30.00   52
 31  ω    -93.00 -66.00   0.50    6.00    --  -87.75 -77.00 120.00   54
 32  ω    -98.00 -71.00   0.50    6.00    --  -87.75 -61.00 120.00   54
 33  ω   -125.00 -72.00   0.50    6.00    --  -87.75 -68.00-150.99  106
 34  ω    -93.00 -65.00   0.50    6.00    --  -87.75 -77.00 -30.00   56
 35  ω    -91.00 -65.00   0.50    6.00    --  -87.75 -77.00 -60.00   52
 36  ω    -97.00 -70.00   0.50    6.00    --  -87.75 -64.00 -31.11   54
 37  ω   -135.00 -66.00   0.50    6.00    --  -87.75 -75.00  76.32  138
 38  ω    -94.00 -69.00   0.50    6.00    --  -87.75 -67.00 144.15   50
 39  ω    -98.00 -65.00   0.50    6.00    --  -87.75 -77.00  60.00   66
 40  ω    -97.00 -70.00   0.50    6.00    --  -87.75 -64.00  23.48   54
 41  ω    -92.00 -66.00   0.50    6.00    --  -87.75 -75.00 -84.16   52
 42  ω    -91.00 -66.00   0.50    6.00    --  -87.75 -77.00  30.00   50
 43  ω    -93.00 -66.00   0.50    6.00    --  -87.75 -77.00 -90.00   54
 44  ω   -114.00 -69.00   0.50    6.00    --  -87.75 -72.00-114.09   90
 45  ω    -92.00 -66.00   0.50    6.00    --  -87.75 -77.00  90.00   52
 46  ω     94.00 119.00   0.50    6.00    --  109.25  63.00-169.00   50
 47  ω     57.00 106.00   0.50    6.00    --  109.25 -95.00-180.00   98
 48  ω     39.00  75.00   0.50    6.00    --  109.25-106.00 -84.55   72
 49  ω    108.00 178.00   0.50    6.00    --  109.25  15.00-180.00  140
 50  ω     93.00 120.00   0.50    6.00    --  109.25  77.00-180.00   54
 51  ω    143.00 174.00   0.50    6.00    --  109.25  61.00 120.00   62
 52  ω     46.00 109.00   0.50    6.00    --  109.25-125.00  30.00  126
 53  ω     96.00 138.00   0.50    6.00    --  109.25  61.00 120.00   84
 54  ω     43.00 109.00   0.50    6.00    --  109.25-125.00-180.00  132
 55  ω     91.00 131.00   0.50    6.00    --  109.25  77.00 150.00   80
 56  ω     89.00 133.00   0.50    6.00    --  109.25  77.00   0.00   88
 57  ω    135.00 172.00   0.50    6.00    --  109.25  77.00-180.00   74
 58  ω     88.00 128.00   0.50    6.00    --  109.25  77.00 -60.00   80
 59  ω    145.00 171.00   0.50    6.00    --  109.25  77.00 -60.00   52
 60  ω     47.00  93.00   0.50    6.00    --  109.25 -95.00 -90.00   92
 61  ω     94.00 172.00   0.50    6.00    --  109.25  61.00  30.00  156
 62  ω     39.00  84.00   0.50    6.00    --  109.25 -95.00 -30.00   90
 63  ω    118.00 148.00   0.50    6.00    --  109.25  77.00-120.00   60
 64  ω     93.00 133.00   0.50    6.00    --  109.25  77.00 -90.00   80
 65  ω     89.00 116.00   0.50    6.00    --  109.25  77.00-120.00   54
 66  ω     77.00 104.00   0.50    6.00    --  109.25-125.00 -90.00   54
 67  ω     40.00  70.00   0.50    6.00    --  109.25 -61.00   0.00   60
 68  ω     81.00 106.00   0.50    6.00    --  109.25 -95.00 -60.00   50
 69  ω    101.00 127.00   0.50    6.00    --  109.25  45.00 120.00   52
 70  ω    109.00 172.00   0.50    6.00    --  109.25 125.00 -30.00  126
 71  ω    122.00 177.00   0.50    6.00    --  109.25  45.00 -60.00  110
 72  ω     88.00 177.00   0.50    6.00    --  109.25  77.00  60.00  178
 73  ω    131.00 175.00   0.50    6.00    --  109.25  77.00-150.00   88
 74  ω    127.00 152.00   0.50    6.00    --  109.25  61.00-120.00   50
 75  ω     95.00 123.00   0.50    6.00    --  109.25  61.00-120.00   56
 76  ω     87.00 126.00   0.50    6.00    --  109.25  77.00-150.00   78
 77  ω     37.00 102.00   0.50    6.00    --  109.25 -95.00  30.00  130
 78  ω     96.00 123.00   0.50    6.00    --  109.25  61.00   0.00   54
 79  ω     54.00 106.00   0.50    6.00    --  109.25 -95.00  60.00  104
 80  ω    138.00 178.00   0.50    6.00    --  109.25  77.00  30.00   80
 81  ω     94.00 120.00   0.50    6.00    --  109.25  77.00  30.00   52
 82  ω     41.00  82.00   0.50    6.00    --  109.25-125.00 150.00   82
 83  ω     44.00  71.00   0.50    6.00    --  109.25 -61.00 150.00   54
 84  ω    139.00 164.00   0.50    6.00    --  109.25  61.00 150.00   50
 85  ω     95.00 140.00   0.50    6.00    --  109.25  61.00  60.00   90
 86  ω     94.00 121.00   0.50    6.00    --  109.25  61.00 150.00   54
 87  ω     93.00 158.00   0.50    6.00    --  109.25  61.00 -30.00  130
 88  ω     93.00 165.00   0.50    6.00    --  109.25  61.00 -90.00  144
 89  ω     70.00  95.00   0.50    6.00    --  109.25 -95.00  90.00   50
 90  ω     93.00 170.00   0.50    6.00    --  109.25  77.00 -30.00  154
 91  ω    132.00 173.00   0.50    6.00    --  109.25  61.00  90.00   82
 92  ω     42.00  67.00   0.50    6.00    --  109.25 -95.00 -60.00   50
 93  ω     40.00  67.00   0.50    6.00    --  109.25 -95.00  90.00   54
 94  ω     39.00  64.00   0.50    6.00    --  109.25-125.00 -90.00   50
 95  ω     94.00 120.00   0.50    6.00    --  109.25  61.00  90.00   52
 96  ω     96.00 136.00   0.50    6.00    --  109.25  61.00-150.00   80
 97  ω     37.00  62.00   0.50    6.00    --  109.25 -61.00 -60.00   50
 98  ω    153.00 178.00   0.50    6.00    --  109.25  63.00-169.00   50
 99  ω     80.00 107.00   0.50    6.00    --  109.25-106.00 -84.55   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1504931000
_diffrn_orient_matrix_UB_12      -0.1546675000
_diffrn_orient_matrix_UB_13      0.0450668000
_diffrn_orient_matrix_UB_21      0.1670764000
_diffrn_orient_matrix_UB_22      0.0556046000
_diffrn_orient_matrix_UB_23      -0.0724249000
_diffrn_orient_matrix_UB_31      0.0429009000
_diffrn_orient_matrix_UB_32      0.1060382000
_diffrn_orient_matrix_UB_33      0.0789334000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2870
_reflns_number_total             3042
_reflns_odcompleteness_completeness 99.56
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     74.33
_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       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.115a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-ac4 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-1997 2016/6 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.268
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3042
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0388
_refine_ls_restrained_S_all      1.097
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0617P)²+0.2180P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1142
_refine_ls_wR_factor_ref         0.1156
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C5(H5), C7(H7), C8(H8), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19)
;
_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
C1 C 0.57872(16) 0.34483(14) 0.64881(9) 0.0243(2) Uani 1 1 d . . . . .
C2 C 0.61692(16) 0.26857(14) 0.56489(9) 0.0239(2) Uani 1 1 d . . . . .
C3 C 0.78109(17) 0.27186(16) 0.62043(10) 0.0312(3) Uani 1 1 d . . . . .
F1 F 0.92069(10) 0.36769(11) 0.58491(7) 0.0453(2) Uani 1 1 d . . . . .
F2 F 0.88848(11) 0.12977(11) 0.67391(7) 0.0433(2) Uani 1 1 d . . . . .
C4 C 0.44436(16) 0.43415(14) 0.72298(9) 0.0225(2) Uani 1 1 d . . . . .
C5 C 0.23928(17) 0.47809(15) 0.71350(9) 0.0244(2) Uani 1 1 d . . . . .
H5 H 0.188372 0.448238 0.656782 0.029 Uiso 1 1 calc R U . . .
N1 N 0.11141(14) 0.56085(13) 0.78143(7) 0.0258(2) Uani 1 1 d . . . . .
C6 C 0.18573(16) 0.60308(13) 0.86162(8) 0.0211(2) Uani 1 1 d . . . . .
C7 C 0.38636(17) 0.56484(14) 0.87617(9) 0.0234(2) Uani 1 1 d . . . . .
H7 H 0.433839 0.596569 0.933305 0.028 Uiso 1 1 calc R U . . .
C8 C 0.51611(18) 0.47983(15) 0.80621(9) 0.0270(3) Uani 1 1 d . . . . .
H8 H 0.654658 0.452377 0.814788 0.032 Uiso 1 1 calc R U . . .
C9 C 0.04207(16) 0.69413(14) 0.93659(8) 0.0216(2) Uani 1 1 d . . . . .
N2 N 0.11652(16) 0.73882(14) 1.01578(8) 0.0300(2) Uani 1 1 d . . . . .
C10 C -0.0138(2) 0.81999(17) 1.08417(10) 0.0333(3) Uani 1 1 d . . . . .
H10 H 0.036181 0.852433 1.140352 0.040 Uiso 1 1 calc R U . . .
C11 C -0.21783(19) 0.85803(16) 1.07581(9) 0.0307(3) Uani 1 1 d . . . . .
H11 H -0.305809 0.915734 1.125003 0.037 Uiso 1 1 calc R U . . .
C12 C -0.28939(18) 0.80999(15) 0.99439(9) 0.0288(3) Uani 1 1 d . . . . .
H12 H -0.428355 0.833502 0.987232 0.035 Uiso 1 1 calc R U . . .
C13 C -0.15921(16) 0.72781(14) 0.92337(8) 0.0228(2) Uani 1 1 d . . . . .
H13 H -0.206647 0.695005 0.866569 0.027 Uiso 1 1 calc R U . . .
C14 C 0.55772(16) 0.21528(14) 0.47617(8) 0.0222(2) Uani 1 1 d . . . . .
C15 C 0.70300(17) 0.12606(15) 0.41165(9) 0.0257(3) Uani 1 1 d . . . . .
H15 H 0.838428 0.101456 0.426663 0.031 Uiso 1 1 calc R U . . .
C16 C 0.65060(18) 0.07350(16) 0.32621(9) 0.0285(3) Uani 1 1 d . . . . .
H16 H 0.749782 0.012657 0.282768 0.034 Uiso 1 1 calc R U . . .
C17 C 0.45279(19) 0.10974(16) 0.30393(9) 0.0296(3) Uani 1 1 d . . . . .
H17 H 0.416624 0.073411 0.245304 0.035 Uiso 1 1 calc R U . . .
C18 C 0.30752(18) 0.19923(17) 0.36742(9) 0.0313(3) Uani 1 1 d . . . . .
H18 H 0.172452 0.224662 0.351721 0.038 Uiso 1 1 calc R U . . .
C19 C 0.35903(17) 0.25121(15) 0.45318(9) 0.0263(3) Uani 1 1 d . . . . .
H19 H 0.259251 0.311480 0.496597 0.032 Uiso 1 1 calc R 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
C1 C2 1.3329(17) . ?
C1 C3 1.4297(16) . ?
C1 C4 1.4463(15) . ?
C2 C3 1.4260(16) . ?
C2 C14 1.4442(16) . ?
C3 F1 1.3814(15) . ?
C3 F2 1.3804(16) . ?
C4 C5 1.3989(15) . ?
C4 C8 1.3907(16) . ?
C5 N1 1.3438(15) . ?
N1 C6 1.3517(15) . ?
C6 C7 1.3815(15) . ?
C6 C9 1.4905(15) . ?
C7 C8 1.3768(16) . ?
C9 N2 1.3497(15) . ?
C9 C13 1.3832(15) . ?
N2 C10 1.3504(17) . ?
C10 C11 1.3896(19) . ?
C11 C12 1.3778(18) . ?
C12 C13 1.3778(16) . ?
C14 C15 1.3992(15) . ?
C14 C19 1.3975(15) . ?
C15 C16 1.3822(17) . ?
C16 C17 1.3889(17) . ?
C17 C18 1.3917(17) . ?
C18 C19 1.3812(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
C2 C1 C3 62.04(8) . . ?
C2 C1 C4 152.34(11) . . ?
C3 C1 C4 145.60(11) . . ?
C1 C2 C3 62.31(8) . . ?
C1 C2 C14 152.64(11) . . ?
C3 C2 C14 145.03(10) . . ?
C2 C3 C1 55.65(8) . . ?
F1 C3 C1 123.18(11) . . ?
F1 C3 C2 122.51(12) . . ?
F2 C3 C1 122.88(12) . . ?
F2 C3 C2 123.46(11) . . ?
F2 C3 F1 103.96(9) . . ?
C5 C4 C1 121.49(10) . . ?
C8 C4 C1 120.68(10) . . ?
C8 C4 C5 117.83(10) . . ?
N1 C5 C4 122.61(11) . . ?
C5 N1 C6 118.13(10) . . ?
N1 C6 C7 122.76(10) . . ?
N1 C6 C9 117.53(10) . . ?
C7 C6 C9 119.71(10) . . ?
C8 C7 C6 118.66(11) . . ?
C7 C8 C4 120.01(11) . . ?
N2 C9 C6 117.55(10) . . ?
N2 C9 C13 122.88(11) . . ?
C13 C9 C6 119.58(10) . . ?
C9 N2 C10 117.55(11) . . ?
N2 C10 C11 122.75(12) . . ?
C12 C11 C10 118.34(11) . . ?
C13 C12 C11 119.94(11) . . ?
C12 C13 C9 118.54(11) . . ?
C15 C14 C2 119.13(10) . . ?
C19 C14 C2 121.55(10) . . ?
C19 C14 C15 119.32(11) . . ?
C16 C15 C14 120.38(11) . . ?
C15 C16 C17 119.93(11) . . ?
C16 C17 C18 120.05(11) . . ?
C19 C18 C17 120.23(11) . . ?
C18 C19 C14 120.10(11) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.279
_oxdiff_exptl_absorpt_empirical_full_min 0.826
