#------------------------------------------------------------------------------
#$Date: 2025-07-05 13:10:14 +0300 (Sat, 05 Jul 2025) $
#$Revision: 300370 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/24/1562429.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_1562429
loop_
_publ_author_name
'Menia, Daniel'
'Höfer, Thomas'
'Wurst, Klaus'
'Bildstein, Benno'
_publ_section_title
;
 (Cobaltoceniumylamido)pyridinium hexafluoridophosphate
;
_journal_coeditor_code           BV4038
_journal_issue                   5
_journal_name_full               IUCrData
_journal_page_first              x210460
_journal_paper_doi               10.1107/S2414314621004600
_journal_volume                  6
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_iupac          '[Co (C5 H5) (C10 H9 N2)] P F6'
_chemical_formula_moiety         'C15 H14 Co N2 +, F6 P -'
_chemical_formula_sum            'C15 H14 Co F6 N2 P'
_chemical_formula_weight         426.18
_chemical_name_systematic
;
(Cobaltoceniumylamido)pyridinium hexafluoridophosphate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 106.943(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9610(8)
_cell_length_b                   8.9243(7)
_cell_length_c                   9.7204(7)
_cell_measurement_reflns_used    5116
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      2.3
_cell_volume                     826.59(11)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX3 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014/7 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014/4 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      183(2)
_diffrn_detector_area_resol_mean 10.4
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON 100'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multi layered optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11210
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_min         2.137
_diffrn_source                   'Incoatec Microfocus'
_exptl_absorpt_coefficient_mu    1.198
_exptl_absorpt_correction_T_max  0.901
_exptl_absorpt_correction_T_min  0.817
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_description       prism
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.008
_refine_diff_density_min         -0.263
_refine_ls_abs_structure_details
;
Flack x determined using 1289 quotients
[(I⁺)-(I⁻)]/[(I⁺)+(I⁻)]
(Parsons et al.,  2013)
;
_refine_ls_abs_structure_Flack   -0.007(7)
_refine_ls_extinction_coef       0.015(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL-2014/7 (Sheldrick 2014)
;
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3329
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0456
_refine_ls_R_factor_gt           0.0373
_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)+(0.0512P)²+0.4385P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0896
_refine_ls_wR_factor_ref         0.0932
_reflns_number_gt                2999
_reflns_number_total             3329
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            bv4038sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               1562429
_cod_database_fobs_code          1562429
#BEGIN Tags that were not found in dictionaries:
_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   0.813
_shelx_estimated_absorpt_t_max   0.954
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co Co1 0.82275(6) 0.26234(6) 0.59021(6) 0.0254(2) Uani d 1 . .
N N1 0.5977(5) 0.0343(4) 0.6695(4) 0.0274(9) Uani d 1 . .
N N2 0.5060(4) 0.1237(4) 0.7231(4) 0.0252(9) Uani d 1 . .
C C1 0.8101(10) 0.4810(7) 0.5333(7) 0.063(2) Uani d 1 . .
H H1 0.8231 0.5613 0.6000 0.075 Uiso calc 1 . .
C C2 0.9142(8) 0.4111(9) 0.4857(9) 0.068(2) Uani d 1 . .
H H2 1.0108 0.4372 0.5104 0.081 Uiso calc 1 . .
C C3 0.8468(10) 0.2939(9) 0.3934(8) 0.060(2) Uani d 1 . .
H H3 0.8918 0.2237 0.3481 0.072 Uiso calc 1 . .
C C4 0.7089(10) 0.2978(9) 0.3801(8) 0.059(2) Uani d 1 . .
H H4 0.6405 0.2326 0.3215 0.070 Uiso calc 1 . .
C C5 0.6824(8) 0.4094(9) 0.4636(8) 0.058(2) Uani d 1 . .
H H5 0.5930 0.4348 0.4732 0.070 Uiso calc 1 . .
C C6 0.7849(6) 0.2298(6) 0.7833(6) 0.0287(12) Uani d 1 . .
H H6 0.7348 0.3021 0.8204 0.034 Uiso calc 1 . .
C C7 0.9298(7) 0.2339(7) 0.7978(7) 0.0396(15) Uani d 1 . .
H H7 0.9954 0.3032 0.8544 0.048 Uiso calc 1 . .
C C8 0.9606(6) 0.1167(6) 0.7131(7) 0.0397(13) Uani d 1 . .
H H8 1.0505 0.0934 0.7034 0.048 Uiso calc 1 . .
C C9 0.8336(6) 0.0404(6) 0.6455(6) 0.0319(12) Uani d 1 . .
H H9 0.8223 -0.0353 0.5744 0.038 Uiso calc 1 . .
C C10 0.7242(6) 0.0961(5) 0.7018(5) 0.0256(10) Uani d 1 . .
C C11 0.4222(6) 0.2215(6) 0.6334(6) 0.0377(13) Uani d 1 . .
H H11 0.4244 0.2300 0.5367 0.045 Uiso calc 1 . .
C C12 0.3324(7) 0.3100(8) 0.6834(8) 0.0501(16) Uani d 1 . .
H H12 0.2748 0.3822 0.6218 0.060 Uiso calc 1 . .
C C13 0.3266(7) 0.2939(7) 0.8201(7) 0.0422(14) Uani d 1 . .
H H13 0.2659 0.3552 0.8554 0.051 Uiso calc 1 . .
C C14 0.4102(7) 0.1871(7) 0.9076(7) 0.0420(14) Uani d 1 . .
H H14 0.4051 0.1722 1.0028 0.050 Uiso calc 1 . .
C C15 0.4995(6) 0.1035(6) 0.8571(6) 0.0331(13) Uani d 1 . .
H H15 0.5574 0.0305 0.9172 0.040 Uiso calc 1 . .
P P1 0.19726(16) 0.24876(16) 0.21938(17) 0.0344(4) Uani d 1 . .
F F1 0.3620(5) 0.2643(7) 0.2863(6) 0.105(2) Uani d 1 . .
F F2 0.0334(4) 0.2311(4) 0.1507(5) 0.0554(11) Uani d 1 . .
F F3 0.1747(7) 0.3921(5) 0.3041(6) 0.095(2) Uani d 1 . .
F F4 0.2192(5) 0.1044(5) 0.1347(5) 0.0743(14) Uani d 1 . .
F F5 0.1885(5) 0.1453(5) 0.3502(4) 0.0668(14) Uani d 1 . .
F F6 0.2058(4) 0.3523(4) 0.0880(4) 0.0452(9) Uani d 1 . .
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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C7 Co1 C8 . . 41.4(3) ?
C7 Co1 C3 . . 142.9(3) ?
C8 Co1 C3 . . 113.8(3) ?
C7 Co1 C1 . . 111.7(3) ?
C8 Co1 C1 . . 139.8(3) ?
C3 Co1 C1 . . 67.7(3) ?
C7 Co1 C6 . . 40.8(3) ?
C8 Co1 C6 . . 68.8(2) ?
C3 Co1 C6 . . 176.3(4) ?
C1 Co1 C6 . . 112.1(3) ?
C7 Co1 C2 . . 113.6(3) ?
C8 Co1 C2 . . 112.9(3) ?
C3 Co1 C2 . . 40.8(4) ?
C1 Co1 C2 . . 40.3(3) ?
C6 Co1 C2 . . 141.2(3) ?
C7 Co1 C9 . . 69.0(2) ?
C8 Co1 C9 . . 40.9(2) ?
C3 Co1 C9 . . 111.9(3) ?
C1 Co1 C9 . . 179.3(3) ?
C6 Co1 C9 . . 68.3(2) ?
C2 Co1 C9 . . 139.8(3) ?
C7 Co1 C5 . . 139.1(3) ?
C8 Co1 C5 . . 179.5(3) ?
C3 Co1 C5 . . 65.7(3) ?
C1 Co1 C5 . . 40.5(3) ?
C6 Co1 C5 . . 111.6(3) ?
C2 Co1 C5 . . 67.0(3) ?
C9 Co1 C5 . . 138.8(3) ?
C7 Co1 C4 . . 177.8(4) ?
C8 Co1 C4 . . 140.8(3) ?
C3 Co1 C4 . . 38.5(4) ?
C1 Co1 C4 . . 66.8(3) ?
C6 Co1 C4 . . 137.8(3) ?
C2 Co1 C4 . . 66.5(3) ?
C9 Co1 C4 . . 112.5(3) ?
C5 Co1 C4 . . 38.7(3) ?
C7 Co1 C10 . . 66.8(2) ?
C8 Co1 C10 . . 66.5(2) ?
C3 Co1 C10 . . 138.3(3) ?
C1 Co1 C10 . . 140.8(3) ?
C6 Co1 C10 . . 39.8(2) ?
C2 Co1 C10 . . 178.8(3) ?
C9 Co1 C10 . . 39.14(19) ?
C5 Co1 C10 . . 113.5(3) ?
C4 Co1 C10 . . 113.2(3) ?
C10 N1 N2 . . 110.4(4) ?
C15 N2 C11 . . 121.6(5) ?
C15 N2 N1 . . 120.1(4) ?
C11 N2 N1 . . 118.2(4) ?
C2 C1 C5 . . 106.9(6) ?
C2 C1 Co1 . . 70.6(4) ?
C5 C1 Co1 . . 70.7(4) ?
C2 C1 H1 . . 126.5 ?
C5 C1 H1 . . 126.5 ?
Co1 C1 H1 . . 123.8 ?
C1 C2 C3 . . 106.2(7) ?
C1 C2 Co1 . . 69.1(4) ?
C3 C2 Co1 . . 68.7(4) ?
C1 C2 H2 . . 126.9 ?
C3 C2 H2 . . 126.9 ?
Co1 C2 H2 . . 126.8 ?
C4 C3 C2 . . 109.0(7) ?
C4 C3 Co1 . . 72.1(4) ?
C2 C3 Co1 . . 70.5(4) ?
C4 C3 H3 . . 125.5 ?
C2 C3 H3 . . 125.5 ?
Co1 C3 H3 . . 123.4 ?
C3 C4 C5 . . 109.5(7) ?
C3 C4 Co1 . . 69.3(4) ?
C5 C4 Co1 . . 70.5(4) ?
C3 C4 H4 . . 125.3 ?
C5 C4 H4 . . 125.3 ?
Co1 C4 H4 . . 126.5 ?
C4 C5 C1 . . 108.3(7) ?
C4 C5 Co1 . . 70.8(4) ?
C1 C5 Co1 . . 68.8(4) ?
C4 C5 H5 . . 125.8 ?
C1 C5 H5 . . 125.8 ?
Co1 C5 H5 . . 126.1 ?
C7 C6 C10 . . 109.0(5) ?
C7 C6 Co1 . . 68.3(4) ?
C10 C6 Co1 . . 77.1(3) ?
C7 C6 H6 . . 125.5 ?
C10 C6 H6 . . 125.5 ?
Co1 C6 H6 . . 120.8 ?
C6 C7 C8 . . 108.1(5) ?
C6 C7 Co1 . . 71.0(3) ?
C8 C7 Co1 . . 69.6(4) ?
C6 C7 H7 . . 125.9 ?
C8 C7 H7 . . 125.9 ?
Co1 C7 H7 . . 125.1 ?
C9 C8 C7 . . 107.9(5) ?
C9 C8 Co1 . . 70.9(3) ?
C7 C8 Co1 . . 69.0(3) ?
C9 C8 H8 . . 126.1 ?
C7 C8 H8 . . 126.1 ?
Co1 C8 H8 . . 125.6 ?
C8 C9 C10 . . 109.3(5) ?
C8 C9 Co1 . . 68.2(3) ?
C10 C9 Co1 . . 77.2(3) ?
C8 C9 H9 . . 125.4 ?
C10 C9 H9 . . 125.4 ?
Co1 C9 H9 . . 120.8 ?
N1 C10 C9 . . 122.5(4) ?
N1 C10 C6 . . 133.0(5) ?
C9 C10 C6 . . 104.3(5) ?
N1 C10 Co1 . . 133.2(3) ?
C9 C10 Co1 . . 63.6(3) ?
C6 C10 Co1 . . 63.2(3) ?
N2 C11 C12 . . 119.2(5) ?
N2 C11 H11 . . 120.4 ?
C12 C11 H11 . . 120.4 ?
C13 C12 C11 . . 120.0(6) ?
C13 C12 H12 . . 120.0 ?
C11 C12 H12 . . 120.0 ?
C12 C13 C14 . . 119.1(6) ?
C12 C13 H13 . . 120.4 ?
C14 C13 H13 . . 120.4 ?
C15 C14 C13 . . 119.8(6) ?
C15 C14 H14 . . 120.1 ?
C13 C14 H14 . . 120.1 ?
N2 C15 C14 . . 120.1(5) ?
N2 C15 H15 . . 119.9 ?
C14 C15 H15 . . 119.9 ?
F3 P1 F4 . . 179.7(3) ?
F3 P1 F2 . . 90.8(3) ?
F4 P1 F2 . . 88.9(3) ?
F3 P1 F1 . . 90.1(4) ?
F4 P1 F1 . . 90.1(3) ?
F2 P1 F1 . . 179.0(3) ?
F3 P1 F5 . . 90.2(3) ?
F4 P1 F5 . . 89.5(3) ?
F2 P1 F5 . . 89.4(2) ?
F1 P1 F5 . . 90.8(2) ?
F3 P1 F6 . . 89.8(2) ?
F4 P1 F6 . . 90.4(2) ?
F2 P1 F6 . . 90.5(2) ?
F1 P1 F6 . . 89.3(2) ?
F5 P1 F6 . . 179.9(3) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 C7 . 2.005(7) ?
Co1 C8 . 2.012(6) ?
Co1 C3 . 2.016(7) ?
Co1 C1 . 2.022(6) ?
Co1 C6 . 2.040(6) ?
Co1 C2 . 2.041(7) ?
Co1 C9 . 2.047(5) ?
Co1 C5 . 2.047(6) ?
Co1 C4 . 2.051(7) ?
Co1 C10 . 2.227(5) ?
N1 C10 . 1.327(7) ?
N1 N2 . 1.421(6) ?
N2 C15 . 1.335(6) ?
N2 C11 . 1.340(7) ?
C1 C2 . 1.399(11) ?
C1 C5 . 1.408(11) ?
C1 H1 . 0.9500 ?
C2 C3 . 1.414(12) ?
C2 H2 . 0.9500 ?
C3 C4 . 1.342(12) ?
C3 H3 . 0.9500 ?
C4 C5 . 1.358(12) ?
C4 H4 . 0.9500 ?
C5 H5 . 0.9500 ?
C6 C7 . 1.408(9) ?
C6 C10 . 1.462(7) ?
C6 H6 . 0.9500 ?
C7 C8 . 1.419(9) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.418(8) ?
C8 H8 . 0.9500 ?
C9 C10 . 1.442(7) ?
C9 H9 . 0.9500 ?
C11 C12 . 1.383(9) ?
C11 H11 . 0.9500 ?
C12 C13 . 1.355(9) ?
C12 H12 . 0.9500 ?
C13 C14 . 1.383(9) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.358(8) ?
C14 H14 . 0.9500 ?
C15 H15 . 0.9500 ?
P1 F3 . 1.572(5) ?
P1 F4 . 1.578(4) ?
P1 F2 . 1.581(4) ?
P1 F1 . 1.585(5) ?
P1 F5 . 1.595(4) ?
P1 F6 . 1.599(4) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C11 H11 F1 . 0.95 2.35 3.273(8) 163.8
C12 H12 F6 2_565 0.95 2.46 3.293(7) 146.1
C14 H14 F4 1_556 0.95 2.61 3.388(7) 139.2
C15 H15 N1 2 0.95 2.44 3.156(6) 132.4
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C10 N1 N2 C15 . . . . -87.4(5) ?
C10 N1 N2 C11 . . . . 96.1(5) ?
C5 C1 C2 C3 . . . . -2.8(7) ?
Co1 C1 C2 C3 . . . . 58.9(5) ?
C5 C1 C2 Co1 . . . . -61.7(4) ?
C1 C2 C3 C4 . . . . 3.1(8) ?
Co1 C2 C3 C4 . . . . 62.3(5) ?
C1 C2 C3 Co1 . . . . -59.2(5) ?
C2 C3 C4 C5 . . . . -2.1(9) ?
Co1 C3 C4 C5 . . . . 59.2(5) ?
C2 C3 C4 Co1 . . . . -61.3(5) ?
C3 C4 C5 C1 . . . . 0.3(8) ?
Co1 C4 C5 C1 . . . . 58.8(5) ?
C3 C4 C5 Co1 . . . . -58.5(5) ?
C2 C1 C5 C4 . . . . 1.7(7) ?
Co1 C1 C5 C4 . . . . -60.0(5) ?
C2 C1 C5 Co1 . . . . 61.7(5) ?
C10 C6 C7 C8 . . . . 7.0(7) ?
Co1 C6 C7 C8 . . . . -59.9(4) ?
C10 C6 C7 Co1 . . . . 66.9(4) ?
C6 C7 C8 C9 . . . . 0.3(7) ?
Co1 C7 C8 C9 . . . . -60.5(4) ?
C6 C7 C8 Co1 . . . . 60.8(4) ?
C7 C8 C9 C10 . . . . -7.6(6) ?
Co1 C8 C9 C10 . . . . -66.9(4) ?
C7 C8 C9 Co1 . . . . 59.3(4) ?
N2 N1 C10 C9 . . . . -171.9(4) ?
N2 N1 C10 C6 . . . . 2.6(7) ?
N2 N1 C10 Co1 . . . . -89.0(5) ?
C8 C9 C10 N1 . . . . -172.7(4) ?
Co1 C9 C10 N1 . . . . 126.1(4) ?
C8 C9 C10 C6 . . . . 11.4(5) ?
Co1 C9 C10 C6 . . . . -49.7(3) ?
C8 C9 C10 Co1 . . . . 61.2(4) ?
C7 C6 C10 N1 . . . . 173.5(5) ?
Co1 C6 C10 N1 . . . . -125.2(5) ?
C7 C6 C10 C9 . . . . -11.3(6) ?
Co1 C6 C10 C9 . . . . 50.0(3) ?
C7 C6 C10 Co1 . . . . -61.3(4) ?
C15 N2 C11 C12 . . . . 3.8(9) ?
N1 N2 C11 C12 . . . . -179.8(6) ?
N2 C11 C12 C13 . . . . -2.1(11) ?
C11 C12 C13 C14 . . . . -0.7(11) ?
C12 C13 C14 C15 . . . . 2.0(11) ?
C11 N2 C15 C14 . . . . -2.6(9) ?
N1 N2 C15 C14 . . . . -178.9(5) ?
C13 C14 C15 N2 . . . . -0.4(10) ?
