#------------------------------------------------------------------------------
#$Date: 2020-09-06 12:45:15 +0300 (Sun, 06 Sep 2020) $
#$Revision: 256113 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/49/7704949.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7704949
loop_
_publ_author_name
'Singh, Vivek Kumar'
'Donthireddy, S. N. R.'
'Illam, Praseetha Mathoor'
'Rit, Arnab'
_publ_section_title
;
 Transition metal complexes of a bis(carbene) ligand featuring
 1,2,4-triazolin-5-ylidene donors: structural diversity and catalytic
 applications.
;
_journal_issue                   34
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11958
_journal_page_last               11970
_journal_paper_doi               10.1039/d0dt02142c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C14 H18 F12 N6 P2'
_chemical_formula_weight         560.28
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-12-18 deposited with the CCDC.	2020-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                109.328(2)
_cell_angle_beta                 104.605(2)
_cell_angle_gamma                98.266(2)
_cell_formula_units_Z            2
_cell_length_a                   8.1345(3)
_cell_length_b                   10.9351(4)
_cell_length_c                   13.7618(5)
_cell_measurement_reflns_used    5111
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.93
_cell_measurement_theta_min      2.93
_cell_volume                     1082.65(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14152
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.656
_exptl_absorpt_coefficient_mu    0.319
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.719
_exptl_crystal_description       Rectangular
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.100
_exptl_transmission_factor_max   0.7454
_exptl_transmission_factor_min   0.6908
_refine_diff_density_max         0.527
_refine_diff_density_min         -0.438
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         3803
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0926
_refine_ls_R_factor_gt           0.0681
_refine_ls_shift/su_max          0.089
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0956P)²+1.3499P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1779
_refine_ls_wR_factor_ref         0.2016
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2699
_reflns_number_total             3803
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02142c2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7704949--7704952.cif.'
_cod_database_code               7704949
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.924
_shelx_estimated_absorpt_t_max   0.969
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.7701(8) 0.0955(5) 0.4927(4) 0.0921(17) Uani 1 1 d . . . . .
H1A H 0.653064 0.048874 0.444991 0.138 Uiso 1 1 calc R U . . .
H1B H 0.781457 0.095114 0.563743 0.138 Uiso 1 1 calc R U . . .
H1C H 0.852288 0.051895 0.464794 0.138 Uiso 1 1 calc R U . . .
C2 C 0.8063(6) 0.2346(5) 0.4998(3) 0.0673(12) Uani 1 1 d . . . . .
H2A H 0.927541 0.279273 0.543636 0.081 Uiso 1 1 calc R U . . .
H2B H 0.732423 0.281234 0.536012 0.081 Uiso 1 1 calc R U . . .
C3 C 0.7687(5) 0.1507(4) 0.3001(3) 0.0538(10) Uani 1 1 d . . . . .
H3 H 0.778886 0.064115 0.290111 0.065 Uiso 1 1 calc R U . . .
C4 C 0.7554(7) 0.3520(5) 0.3687(4) 0.0719(13) Uani 1 1 d . . . . .
H4 H 0.754642 0.432836 0.419507 0.086 Uiso 1 1 calc R U . . .
C5 C 0.7371(5) 0.1423(4) 0.1135(3) 0.0439(8) Uani 1 1 d . . . . .
C6 C 0.7735(6) 0.0192(4) 0.0759(4) 0.0606(11) Uani 1 1 d . . . . .
H6 H 0.806344 -0.024443 0.122628 0.073 Uiso 1 1 calc R U . . .
C7 C 0.7605(6) -0.0378(4) -0.0317(4) 0.0666(12) Uani 1 1 d . . . . .
H7 H 0.782985 -0.121584 -0.057868 0.080 Uiso 1 1 calc R U . . .
C8 C 0.7149(5) 0.0261(4) -0.1017(3) 0.0559(10) Uani 1 1 d . . . . .
H8 H 0.707252 -0.012941 -0.174425 0.067 Uiso 1 1 calc R U . . .
C9 C 0.6811(4) 0.1496(3) -0.0611(3) 0.0417(8) Uani 1 1 d . . . . .
C10 C 0.6899(5) 0.2095(4) 0.0460(3) 0.0439(8) Uani 1 1 d . . . . .
H10 H 0.664990 0.292330 0.071822 0.053 Uiso 1 1 calc R U . . .
C11 C 0.5221(6) 0.2370(5) -0.2787(3) 0.0663(12) Uani 1 1 d . . . . .
H11 H 0.459775 0.219290 -0.350584 0.080 Uiso 1 1 calc R U . . .
C12 C 0.6779(5) 0.3446(4) -0.1128(3) 0.0527(10) Uani 1 1 d . . . . .
H12 H 0.745347 0.411882 -0.046295 0.063 Uiso 1 1 calc R U . . .
C13 C 0.6200(9) 0.4901(6) -0.2197(5) 0.0969(18) Uani 1 1 d . . . . .
H13A H 0.568186 0.470838 -0.296436 0.116 Uiso 1 1 calc R U . . .
H13B H 0.550261 0.539791 -0.181585 0.116 Uiso 1 1 calc R U . . .
C14 C 0.7886(15) 0.5713(9) -0.1840(9) 0.195(5) Uani 1 1 d . . . . .
H14A H 0.833636 0.604778 -0.106047 0.293 Uiso 1 1 calc R U . . .
H14B H 0.785534 0.644962 -0.207047 0.293 Uiso 1 1 calc R U . . .
H14C H 0.862973 0.520195 -0.214158 0.293 Uiso 1 1 calc R U . . .
N1 N 0.7748(4) 0.2433(3) 0.3916(2) 0.0533(8) Uani 1 1 d . . . . .
N2 N 0.7456(4) 0.2019(3) 0.2247(2) 0.0473(7) Uani 1 1 d . . . . .
N3 N 0.7381(6) 0.3315(4) 0.2684(3) 0.0719(11) Uani 1 1 d . . . . .
N4 N 0.6350(4) 0.2166(3) -0.1328(2) 0.0437(7) Uani 1 1 d . . . . .
N5 N 0.5361(5) 0.1461(3) -0.2392(3) 0.0596(9) Uani 1 1 d . . . . .
N6 N 0.6079(5) 0.3611(4) -0.2042(3) 0.0573(9) Uani 1 1 d . . . . .
F1 F 0.0493(9) 0.2345(10) 0.8999(7) 0.121(3) Uani 0.724(9) 1 d . . P A 1
F2 F 0.3122(10) 0.3289(12) 0.9052(5) 0.133(4) Uani 0.724(9) 1 d . . P A 1
F3 F 0.1495(10) 0.1615(6) 0.7599(5) 0.111(2) Uani 0.724(9) 1 d . . P A 1
F4 F 0.1901(11) 0.3573(9) 0.7527(8) 0.129(3) Uani 0.724(9) 1 d . . P A 1
F5 F -0.0751(8) 0.2686(9) 0.7515(7) 0.109(3) Uani 0.724(9) 1 d . . P A 1
F6 F 0.0972(12) 0.4361(7) 0.8950(6) 0.124(3) Uani 0.724(9) 1 d . . P A 1
F2A F 0.259(3) 0.4365(15) 0.8645(18) 0.145(8) Uani 0.276(9) 1 d . . P A 2
F1A F 0.012(3) 0.1687(17) 0.804(2) 0.173(11) Uani 0.276(9) 1 d . . P A 2
F3A F 0.176(2) 0.265(4) 0.7268(13) 0.147(9) Uani 0.276(9) 1 d . U P A 2
F4A F 0.063(2) 0.373(3) 0.9311(13) 0.136(12) Uani 0.276(9) 1 d . . P A 2
F5A F -0.023(3) 0.311(4) 0.7508(18) 0.148(9) Uani 0.276(9) 1 d . U P A 2
F6A F 0.275(4) 0.282(4) 0.906(3) 0.207(19) Uani 0.276(9) 1 d . . P A 2
P1 P 0.12196(15) 0.29942(12) 0.82875(9) 0.0606(4) Uani 1 1 d . . . . .
F7 F 0.4020(15) 0.3253(12) 0.5226(9) 0.137(3) Uani 0.582(10) 1 d . U P B 1
F8 F 0.3802(13) 0.1527(11) 0.4336(9) 0.130(2) Uani 0.582(10) 1 d . U P B 1
F9 F 0.3954(10) 0.3327(14) 0.3673(10) 0.160(5) Uani 0.582(10) 1 d . . P B 1
F10 F 0.1340(10) 0.1796(10) 0.2883(6) 0.120(3) Uani 0.582(10) 1 d . . P B 1
F11 F 0.1841(17) 0.3676(9) 0.4187(11) 0.162(6) Uani 0.582(10) 1 d . . P B 1
F12 F 0.1460(11) 0.1715(10) 0.4473(9) 0.126(2) Uani 0.582(10) 1 d . U P B 1
F7A F 0.1218(15) 0.1408(12) 0.3360(12) 0.122(3) Uani 0.418(10) 1 d . U P B 2
F8A F 0.4487(15) 0.3646(13) 0.4993(10) 0.134(6) Uani 0.418(10) 1 d . . P B 2
F9A F 0.3575(16) 0.2503(13) 0.3234(9) 0.103(3) Uani 0.418(10) 1 d . U P B 2
F10A F 0.2136(18) 0.267(2) 0.5104(11) 0.152(5) Uani 0.418(10) 1 d . U P B 2
F11A F 0.3687(13) 0.1372(12) 0.3743(9) 0.107(3) Uani 0.418(10) 1 d . U P B 2
F12A F 0.153(3) 0.354(2) 0.4064(16) 0.148(5) Uani 0.418(10) 1 d . U P B 2
P2 P 0.27523(15) 0.25554(13) 0.40899(10) 0.0651(4) Uani 1 1 d . . . . .
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'
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'
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 H1A 109.5 . . ?
C2 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C2 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C1 C2 N1 112.6(4) . . ?
C1 C2 H2A 109.1 . . ?
N1 C2 H2A 109.1 . . ?
C1 C2 H2B 109.1 . . ?
N1 C2 H2B 109.1 . . ?
H2A C2 H2B 107.8 . . ?
N1 C3 N2 108.1(4) . . ?
N1 C3 H3 125.9 . . ?
N2 C3 H3 125.9 . . ?
N3 C4 N1 112.5(4) . . ?
N3 C4 H4 123.8 . . ?
N1 C4 H4 123.8 . . ?
C10 C5 C6 121.6(4) . . ?
C10 C5 N2 118.8(3) . . ?
C6 C5 N2 119.6(3) . . ?
C7 C6 C5 118.8(4) . . ?
C7 C6 H6 120.6 . . ?
C5 C6 H6 120.6 . . ?
C6 C7 C8 121.5(4) . . ?
C6 C7 H7 119.2 . . ?
C8 C7 H7 119.2 . . ?
C7 C8 C9 118.1(4) . . ?
C7 C8 H8 121.0 . . ?
C9 C8 H8 121.0 . . ?
C8 C9 C10 122.3(3) . . ?
C8 C9 N4 118.4(3) . . ?
C10 C9 N4 119.3(3) . . ?
C9 C10 C5 117.8(3) . . ?
C9 C10 H10 121.1 . . ?
C5 C10 H10 121.1 . . ?
N5 C11 N6 112.5(4) . . ?
N5 C11 H11 123.7 . . ?
N6 C11 H11 123.7 . . ?
N4 C12 N6 107.8(3) . . ?
N4 C12 H12 126.1 . . ?
N6 C12 H12 126.1 . . ?
C14 C13 N6 115.4(5) . . ?
C14 C13 H13A 108.4 . . ?
N6 C13 H13A 108.4 . . ?
C14 C13 H13B 108.5 . . ?
N6 C13 H13B 108.4 . . ?
H13A C13 H13B 107.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C3 N1 C4 105.6(3) . . ?
C3 N1 C2 127.9(4) . . ?
C4 N1 C2 126.4(4) . . ?
C3 N2 N3 110.0(3) . . ?
C3 N2 C5 129.2(3) . . ?
N3 N2 C5 120.8(3) . . ?
C4 N3 N2 103.8(3) . . ?
C12 N4 N5 110.6(3) . . ?
C12 N4 C9 128.7(3) . . ?
N5 N4 C9 120.6(3) . . ?
C11 N5 N4 103.6(3) . . ?
C12 N6 C11 105.4(3) . . ?
C12 N6 C13 126.8(4) . . ?
C11 N6 C13 127.8(4) . . ?
F5A P1 F1A 85.1(16) . . ?
F5A P1 F6A 177(2) . . ?
F1A P1 F6A 93.7(15) . . ?
F5A P1 F3A 76.9(13) . . ?
F1A P1 F3A 98.3(17) . . ?
F6A P1 F3A 100.9(16) . . ?
F6 P1 F2 92.7(5) . . ?
F6 P1 F1 90.7(4) . . ?
F2 P1 F1 90.2(5) . . ?
F6 P1 F4 91.8(5) . . ?
F2 P1 F4 91.2(5) . . ?
F1 P1 F4 177.1(5) . . ?
F6 P1 F3 178.8(5) . . ?
F2 P1 F3 87.1(4) . . ?
F1 P1 F3 90.6(4) . . ?
F4 P1 F3 87.0(4) . . ?
F5A P1 F2A 101.8(18) . . ?
F1A P1 F2A 173.1(14) . . ?
F6A P1 F2A 79.4(13) . . ?
F3A P1 F2A 82.8(13) . . ?
F6 P1 F5 87.1(4) . . ?
F2 P1 F5 179.1(5) . . ?
F1 P1 F5 88.9(4) . . ?
F4 P1 F5 89.6(5) . . ?
F3 P1 F5 93.2(4) . . ?
F5A P1 F4A 94.5(14) . . ?
F1A P1 F4A 93.9(15) . . ?
F6A P1 F4A 88.0(18) . . ?
F3A P1 F4A 164.3(19) . . ?
F2A P1 F4A 86.3(12) . . ?
F7A P2 F9A 94.6(7) . . ?
F7 P2 F11 93.3(7) . . ?
F7 P2 F9 90.2(6) . . ?
F11 P2 F9 84.9(8) . . ?
F7A P2 F12A 89.5(9) . . ?
F9A P2 F12A 106.7(8) . . ?
F7A P2 F10A 91.7(8) . . ?
F9A P2 F10A 172.4(7) . . ?
F12A P2 F10A 77.5(8) . . ?
F7 P2 F8 72.9(6) . . ?
F11 P2 F8 164.2(7) . . ?
F9 P2 F8 102.4(6) . . ?
F7 P2 F12 92.1(5) . . ?
F11 P2 F12 95.5(7) . . ?
F9 P2 F12 177.7(6) . . ?
F8 P2 F12 77.8(5) . . ?
F7A P2 F11A 78.5(6) . . ?
F9A P2 F11A 63.1(8) . . ?
F12A P2 F11A 163.1(9) . . ?
F10A P2 F11A 114.3(9) . . ?
F7A P2 F8A 170.6(8) . . ?
F9A P2 F8A 89.8(6) . . ?
F12A P2 F8A 97.2(10) . . ?
F10A P2 F8A 83.3(7) . . ?
F11A P2 F8A 96.2(7) . . ?
F7 P2 F10 178.2(5) . . ?
F11 P2 F10 86.1(6) . . ?
F9 P2 F10 91.5(5) . . ?
F8 P2 F10 107.4(6) . . ?
F12 P2 F10 86.3(5) . . ?
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 1.473(7) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 N1 1.483(5) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 N1 1.313(5) . ?
C3 N2 1.319(5) . ?
C3 H3 0.9300 . ?
C4 N3 1.290(5) . ?
C4 N1 1.347(5) . ?
C4 H4 0.9300 . ?
C5 C10 1.379(5) . ?
C5 C6 1.378(5) . ?
C5 N2 1.430(5) . ?
C6 C7 1.372(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.378(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.377(5) . ?
C8 H8 0.9300 . ?
C9 C10 1.378(5) . ?
C9 N4 1.422(4) . ?
C10 H10 0.9300 . ?
C11 N5 1.287(5) . ?
C11 N6 1.351(6) . ?
C11 H11 0.9300 . ?
C12 N4 1.308(5) . ?
C12 N6 1.326(5) . ?
C12 H12 0.9300 . ?
C13 C14 1.390(11) . ?
C13 N6 1.488(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
N2 N3 1.362(5) . ?
N4 N5 1.366(4) . ?
F1 P1 1.563(5) . ?
F2 P1 1.555(7) . ?
F3 P1 1.575(4) . ?
F4 P1 1.560(6) . ?
F5 P1 1.601(7) . ?
F6 P1 1.544(6) . ?
F2A P1 1.578(13) . ?
F1A P1 1.454(13) . ?
F3A P1 1.520(17) . ?
F4A P1 1.602(15) . ?
F5A P1 1.43(2) . ?
F6A P1 1.50(2) . ?
F7 P2 1.504(11) . ?
F8 P2 1.578(9) . ?
F9 P2 1.537(7) . ?
F10 P2 1.618(6) . ?
F11 P2 1.507(8) . ?
F12 P2 1.598(7) . ?
F7A P2 1.491(11) . ?
F8A P2 1.615(9) . ?
F9A P2 1.484(11) . ?
F10A P2 1.571(10) . ?
F11A P2 1.593(10) . ?
F12A P2 1.568(18) . ?
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
C10 C5 C6 C7 -0.7(6) . . . . ?
N2 C5 C6 C7 178.4(4) . . . . ?
C5 C6 C7 C8 1.1(7) . . . . ?
C6 C7 C8 C9 -0.5(7) . . . . ?
C7 C8 C9 C10 -0.6(6) . . . . ?
C7 C8 C9 N4 179.6(4) . . . . ?
C8 C9 C10 C5 0.9(5) . . . . ?
N4 C9 C10 C5 -179.2(3) . . . . ?
C6 C5 C10 C9 -0.3(6) . . . . ?
N2 C5 C10 C9 -179.4(3) . . . . ?
N2 C3 N1 C4 -0.3(5) . . . . ?
N2 C3 N1 C2 -177.1(4) . . . . ?
N3 C4 N1 C3 -0.1(6) . . . . ?
N3 C4 N1 C2 176.8(4) . . . . ?
C1 C2 N1 C3 -20.7(6) . . . . ?
C1 C2 N1 C4 163.1(5) . . . . ?
N1 C3 N2 N3 0.6(5) . . . . ?
N1 C3 N2 C5 177.5(3) . . . . ?
C10 C5 N2 C3 171.9(4) . . . . ?
C6 C5 N2 C3 -7.2(6) . . . . ?
C10 C5 N2 N3 -11.5(5) . . . . ?
C6 C5 N2 N3 169.4(4) . . . . ?
N1 C4 N3 N2 0.4(6) . . . . ?
C3 N2 N3 C4 -0.6(5) . . . . ?
C5 N2 N3 C4 -177.8(4) . . . . ?
N6 C12 N4 N5 0.5(4) . . . . ?
N6 C12 N4 C9 179.0(3) . . . . ?
C8 C9 N4 C12 -142.9(4) . . . . ?
C10 C9 N4 C12 37.2(5) . . . . ?
C8 C9 N4 N5 35.4(5) . . . . ?
C10 C9 N4 N5 -144.4(3) . . . . ?
N6 C11 N5 N4 0.8(5) . . . . ?
C12 N4 N5 C11 -0.8(4) . . . . ?
C9 N4 N5 C11 -179.4(3) . . . . ?
N4 C12 N6 C11 0.0(5) . . . . ?
N4 C12 N6 C13 179.0(4) . . . . ?
N5 C11 N6 C12 -0.5(5) . . . . ?
N5 C11 N6 C13 -179.5(5) . . . . ?
C14 C13 N6 C12 51.7(9) . . . . ?
C14 C13 N6 C11 -129.5(8) . . . . ?
