# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 2062787'
loop_
_audit_author_name
_audit_author_address
'Tuncer Hokelek'
;Hacettepe University
Turkey
;
_audit_update_record             
;
2021-05-17 deposited with the CCDC.	2021-06-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H28 Cl2 F N6 O P3'
_chemical_formula_weight         503.25

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'
Cl Cl 0.1484 0.1585 '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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -y, -z'

_cell_length_a                   10.1879(3)
_cell_length_b                   10.2669(3)
_cell_length_c                   13.3549(4)
_cell_angle_alpha                103.929(3)
_cell_angle_beta                 110.726(3)
_cell_angle_gamma                100.441(2)
_cell_volume                     1212.24(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_F_000             524
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.260
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.493
_shelx_estimated_absorpt_T_min   0.862
_shelx_estimated_absorpt_T_max   0.908
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            15025
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.728
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_full        25.025
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4288
_reflns_number_gt                3509
_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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0660P)²+1.1742P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4288
_refine_ls_number_parameters     270
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0652
_refine_ls_R_factor_gt           0.0539
_refine_ls_wR_factor_ref         0.1508
_refine_ls_wR_factor_gt          0.1412
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_restrained_S_all      1.055
_refine_ls_shift/su_max          0.000
_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
H5A H -0.157(5) 0.410(5) 0.418(4) 0.075(13) Uiso 1 1 d . . . . .
H6A H -0.006(7) 0.222(7) 0.479(5) 0.15(2) Uiso 1 1 d . . . . .
P1 P -0.02605(9) 0.27279(9) 0.13409(7) 0.0504(2) Uani 1 1 d . . . . .
P2 P 0.15111(9) 0.50535(8) 0.32117(7) 0.0513(2) Uani 1 1 d . . . . .
P3 P -0.03800(9) 0.29754(9) 0.34479(7) 0.0522(2) Uani 1 1 d . . . . .
Cl1 Cl 0.1296(2) 0.69921(12) 0.34370(11) 0.1176(6) Uani 1 1 d . . . . .
Cl2 Cl 0.37105(12) 0.55481(17) 0.39047(11) 0.1097(5) Uani 1 1 d . . . . .
O1 O 0.0443(3) 0.1649(2) 0.08423(19) 0.0570(6) Uani 1 1 d . . . . .
N1 N 0.0919(3) 0.4265(3) 0.1917(2) 0.0589(7) Uani 1 1 d . . . . .
N2 N 0.0953(3) 0.4427(3) 0.3988(2) 0.0582(7) Uani 1 1 d . . . . .
N3 N -0.0829(3) 0.2158(3) 0.2152(2) 0.0610(7) Uani 1 1 d . . . . .
N4 N -0.1640(3) 0.2692(3) 0.0205(2) 0.0566(7) Uani 1 1 d . . . . .
N5 N -0.1757(3) 0.3402(4) 0.3623(3) 0.0719(9) Uani 1 1 d . . . . .
N6 N 0.0016(4) 0.1907(4) 0.4161(3) 0.0731(9) Uani 1 1 d . . . . .
F1 F -0.8395(3) 0.1757(4) -0.2580(4) 0.1583(16) Uani 1 1 d . . . . .
C1 C -0.6127(6) 0.3461(6) -0.1784(4) 0.0996(15) Uani 1 1 d . . . . .
H1 H -0.653964 0.399189 -0.221310 0.120 Uiso 1 1 calc R U . . .
C2 C -0.4661(5) 0.3915(5) -0.1052(4) 0.0834(12) Uani 1 1 d . . . . .
H2 H -0.407224 0.476164 -0.099202 0.100 Uiso 1 1 calc R U . . .
C3 C -0.4053(4) 0.3138(4) -0.0411(3) 0.0637(9) Uani 1 1 d . . . . .
C4 C -0.4939(5) 0.1885(4) -0.0526(4) 0.0787(11) Uani 1 1 d . . . . .
H4 H -0.454102 0.134696 -0.009806 0.094 Uiso 1 1 calc R U . . .
C5 C -0.6403(5) 0.1404(5) -0.1259(5) 0.0949(15) Uani 1 1 d . . . . .
H5 H -0.699618 0.054884 -0.133879 0.114 Uiso 1 1 calc R U . . .
C6 C -0.6947(5) 0.2219(6) -0.1859(5) 0.0980(17) Uani 1 1 d . . . . .
C7 C -0.2474(4) 0.3667(4) 0.0428(3) 0.0722(10) Uani 1 1 d . . . . .
H7A H -0.202430 0.456732 0.040019 0.087 Uiso 1 1 calc R U . . .
H7B H -0.242689 0.380979 0.118668 0.087 Uiso 1 1 calc R U . . .
C8 C -0.1394(4) 0.2657(4) -0.0830(3) 0.0655(9) Uani 1 1 d . . . . .
H8A H -0.077910 0.356820 -0.071477 0.079 Uiso 1 1 calc R U . . .
H8B H -0.232733 0.246327 -0.146379 0.079 Uiso 1 1 calc R U . . .
C9 C -0.0665(4) 0.1547(4) -0.1107(3) 0.0657(9) Uani 1 1 d . . . . .
H9A H -0.132671 0.062676 -0.130134 0.079 Uiso 1 1 calc R U . . .
H9B H -0.046989 0.158219 -0.176164 0.079 Uiso 1 1 calc R U . . .
C10 C 0.0741(4) 0.1750(4) -0.0132(3) 0.0642(9) Uani 1 1 d . . . . .
H10A H 0.119530 0.103858 -0.034020 0.077 Uiso 1 1 calc R U . . .
H10B H 0.141358 0.266360 0.006167 0.077 Uiso 1 1 calc R U . . .
C11 C -0.3172(5) 0.2404(6) 0.3224(5) 0.0981(15) Uani 1 1 d . . . . .
H11A H -0.324906 0.158236 0.264100 0.118 Uiso 1 1 calc R U . . .
H11B H -0.323319 0.210962 0.384790 0.118 Uiso 1 1 calc R U . . .
C12 C -0.4388(6) 0.2914(8) 0.2774(5) 0.131(2) Uani 1 1 d . . . . .
H12A H -0.432963 0.321486 0.215194 0.157 Uiso 1 1 calc R U . . .
H12B H -0.432497 0.372762 0.335758 0.157 Uiso 1 1 calc R U . . .
C13 C -0.5850(6) 0.1840(10) 0.2354(7) 0.180(4) Uani 1 1 d . . . . .
H13A H -0.662397 0.224136 0.206184 0.270 Uiso 1 1 calc R U . . .
H13B H -0.593171 0.103934 0.176262 0.270 Uiso 1 1 calc R U . . .
H13C H -0.592706 0.155235 0.296884 0.270 Uiso 1 1 calc R U . . .
C14 C 0.1069(7) 0.1153(6) 0.4149(5) 0.1070(16) Uani 1 1 d . . . . .
H14A H 0.072011 0.025892 0.423241 0.128 Uiso 1 1 calc R U . . .
H14B H 0.108719 0.095368 0.340669 0.128 Uiso 1 1 calc R U . . .
C15 C 0.2469(8) 0.1778(9) 0.4942(8) 0.169(3) Uani 1 1 d . . . . .
H15A H 0.243991 0.216090 0.566965 0.203 Uiso 1 1 calc R U . . .
H15B H 0.289649 0.256048 0.475693 0.203 Uiso 1 1 calc R U . . .
C16 C 0.3496(7) 0.0836(7) 0.5074(8) 0.166(3) Uani 1 1 d . . . . .
H16A H 0.445381 0.137869 0.565340 0.249 Uiso 1 1 calc R U . . .
H16B H 0.310841 0.007200 0.528330 0.249 Uiso 1 1 calc R U . . .
H16C H 0.356632 0.047275 0.436793 0.249 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
P1 O1 1.567(2) . ?
P1 N3 1.574(3) . ?
P1 N1 1.613(3) . ?
P1 N4 1.650(3) . ?
P2 N2 1.555(3) . ?
P2 N1 1.555(3) . ?
P2 Cl1 2.0041(14) . ?
P2 Cl2 2.0072(14) . ?
P3 N3 1.584(3) . ?
P3 N5 1.618(3) . ?
P3 N2 1.625(3) . ?
P3 N6 1.633(4) . ?
O1 C10 1.459(4) . ?
N4 C7 1.468(4) . ?
N4 C8 1.483(4) . ?
N5 C11 1.439(5) . ?
N5 H5A 0.83(4) . ?
N6 C14 1.435(6) . ?
N6 H6A 0.86(6) . ?
F1 C6 1.360(5) . ?
C1 C6 1.351(8) . ?
C1 C2 1.378(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.373(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.371(6) . ?
C3 C7 1.502(5) . ?
C4 C5 1.376(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.352(8) . ?
C5 H5 0.9300 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 C9 1.512(5) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.494(5) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.425(8) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.505(8) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 C15 1.356(8) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.542(9) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?

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 P1 N3 107.59(15) . . ?
O1 P1 N1 108.84(14) . . ?
N3 P1 N1 115.64(14) . . ?
O1 P1 N4 103.22(13) . . ?
N3 P1 N4 111.15(16) . . ?
N1 P1 N4 109.62(15) . . ?
N2 P2 N1 121.83(15) . . ?
N2 P2 Cl1 108.19(12) . . ?
N1 P2 Cl1 108.65(12) . . ?
N2 P2 Cl2 107.66(12) . . ?
N1 P2 Cl2 109.02(12) . . ?
Cl1 P2 Cl2 99.11(8) . . ?
N3 P3 N5 110.54(17) . . ?
N3 P3 N2 114.69(14) . . ?
N5 P3 N2 106.03(17) . . ?
N3 P3 N6 108.14(18) . . ?
N5 P3 N6 106.1(2) . . ?
N2 P3 N6 111.01(17) . . ?
C10 O1 P1 118.4(2) . . ?
P2 N1 P1 120.62(17) . . ?
P2 N2 P3 120.52(17) . . ?
P1 N3 P3 125.84(17) . . ?
C7 N4 C8 112.1(3) . . ?
C7 N4 P1 114.7(2) . . ?
C8 N4 P1 118.3(2) . . ?
C11 N5 P3 123.1(3) . . ?
C11 N5 H5A 114(3) . . ?
P3 N5 H5A 118(3) . . ?
C14 N6 P3 125.2(4) . . ?
C14 N6 H6A 118(4) . . ?
P3 N6 H6A 108(4) . . ?
C6 C1 C2 117.9(5) . . ?
C6 C1 H1 121.1 . . ?
C2 C1 H1 121.1 . . ?
C3 C2 C1 121.1(4) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 118.3(4) . . ?
C4 C3 C7 120.5(4) . . ?
C2 C3 C7 121.1(4) . . ?
C3 C4 C5 121.6(5) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C6 C5 C4 117.6(5) . . ?
C6 C5 H5 121.2 . . ?
C4 C5 H5 121.2 . . ?
C1 C6 C5 123.5(5) . . ?
C1 C6 F1 118.5(6) . . ?
C5 C6 F1 118.0(6) . . ?
N4 C7 C3 112.3(3) . . ?
N4 C7 H7A 109.1 . . ?
C3 C7 H7A 109.1 . . ?
N4 C7 H7B 109.1 . . ?
C3 C7 H7B 109.1 . . ?
H7A C7 H7B 107.9 . . ?
N4 C8 C9 111.1(3) . . ?
N4 C8 H8A 109.4 . . ?
C9 C8 H8A 109.4 . . ?
N4 C8 H8B 109.4 . . ?
C9 C8 H8B 109.4 . . ?
H8A C8 H8B 108.0 . . ?
C10 C9 C8 111.6(3) . . ?
C10 C9 H9A 109.3 . . ?
C8 C9 H9A 109.3 . . ?
C10 C9 H9B 109.3 . . ?
C8 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
O1 C10 C9 109.4(3) . . ?
O1 C10 H10A 109.8 . . ?
C9 C10 H10A 109.8 . . ?
O1 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 N5 114.7(5) . . ?
C12 C11 H11A 108.6 . . ?
N5 C11 H11A 108.6 . . ?
C12 C11 H11B 108.6 . . ?
N5 C11 H11B 108.6 . . ?
H11A C11 H11B 107.6 . . ?
C11 C12 C13 113.3(7) . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12B 108.9 . . ?
C13 C12 H12B 108.9 . . ?
H12A C12 H12B 107.7 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 N6 117.5(5) . . ?
C15 C14 H14A 107.9 . . ?
N6 C14 H14A 107.9 . . ?
C15 C14 H14B 107.9 . . ?
N6 C14 H14B 107.9 . . ?
H14A C14 H14B 107.2 . . ?
C14 C15 C16 116.3(6) . . ?
C14 C15 H15A 108.2 . . ?
C16 C15 H15A 108.2 . . ?
C14 C15 H15B 108.2 . . ?
C16 C15 H15B 108.2 . . ?
H15A C15 H15B 107.4 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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
N3 P1 O1 C10 165.7(2) . . . . ?
N1 P1 O1 C10 -68.3(3) . . . . ?
N4 P1 O1 C10 48.1(3) . . . . ?
N2 P2 N1 P1 -2.4(3) . . . . ?
Cl1 P2 N1 P1 -129.06(19) . . . . ?
Cl2 P2 N1 P1 123.90(19) . . . . ?
O1 P1 N1 P2 -117.1(2) . . . . ?
N3 P1 N1 P2 4.1(3) . . . . ?
N4 P1 N1 P2 130.7(2) . . . . ?
N1 P2 N2 P3 -5.3(3) . . . . ?
Cl1 P2 N2 P3 121.61(19) . . . . ?
Cl2 P2 N2 P3 -132.16(18) . . . . ?
N3 P3 N2 P2 10.4(3) . . . . ?
N5 P3 N2 P2 -111.9(2) . . . . ?
N6 P3 N2 P2 133.3(2) . . . . ?
O1 P1 N3 P3 123.8(2) . . . . ?
N1 P1 N3 P3 1.9(3) . . . . ?
N4 P1 N3 P3 -123.9(2) . . . . ?
N5 P3 N3 P1 110.8(3) . . . . ?
N2 P3 N3 P1 -8.9(3) . . . . ?
N6 P3 N3 P1 -133.4(3) . . . . ?
O1 P1 N4 C7 -177.8(3) . . . . ?
N3 P1 N4 C7 67.1(3) . . . . ?
N1 P1 N4 C7 -62.0(3) . . . . ?
O1 P1 N4 C8 -41.9(3) . . . . ?
N3 P1 N4 C8 -157.0(2) . . . . ?
N1 P1 N4 C8 73.9(3) . . . . ?
N3 P3 N5 C11 53.2(4) . . . . ?
N2 P3 N5 C11 178.1(4) . . . . ?
N6 P3 N5 C11 -63.8(4) . . . . ?
N3 P3 N6 C14 54.6(4) . . . . ?
N5 P3 N6 C14 173.2(4) . . . . ?
N2 P3 N6 C14 -72.1(4) . . . . ?
C6 C1 C2 C3 -0.6(7) . . . . ?
C1 C2 C3 C4 0.8(6) . . . . ?
C1 C2 C3 C7 -176.9(4) . . . . ?
C2 C3 C4 C5 -0.2(6) . . . . ?
C7 C3 C4 C5 177.5(4) . . . . ?
C3 C4 C5 C6 -0.6(7) . . . . ?
C2 C1 C6 C5 -0.3(8) . . . . ?
C2 C1 C6 F1 -179.8(4) . . . . ?
C4 C5 C6 C1 0.9(8) . . . . ?
C4 C5 C6 F1 -179.6(4) . . . . ?
C8 N4 C7 C3 71.0(4) . . . . ?
P1 N4 C7 C3 -150.4(3) . . . . ?
C4 C3 C7 N4 59.6(5) . . . . ?
C2 C3 C7 N4 -122.8(4) . . . . ?
C7 N4 C8 C9 -174.5(3) . . . . ?
P1 N4 C8 C9 48.5(4) . . . . ?
N4 C8 C9 C10 -55.9(4) . . . . ?
P1 O1 C10 C9 -60.8(3) . . . . ?
C8 C9 C10 O1 60.9(4) . . . . ?
P3 N5 C11 C12 -141.3(4) . . . . ?
N5 C11 C12 C13 179.4(5) . . . . ?
P3 N6 C14 C15 91.0(7) . . . . ?
N6 C14 C15 C16 167.6(7) . . . . ?

_refine_diff_density_max         0.730
_refine_diff_density_min         -0.592
_refine_diff_density_rms         0.055

