#------------------------------------------------------------------------------
#$Date: 2019-11-23 04:11:40 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232085 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/69/4346965.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_4346965
loop_
_publ_author_name
'Jess, Kristof'
'Baabe, Dirk'
'Bannenberg, Thomas'
'Brandhorst, Kai'
'Freytag, Matthias'
'Jones, Peter G.'
'Tamm, Matthias'
_publ_section_title
;
 Ni-Fe and Pd-Fe Interactions in Nickel(II) and Palladium(II) Complexes of
 a Ferrocene-Bridged Bis(imidazolin-2-imine) Ligand.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              12032
_journal_page_last               12045
_journal_paper_doi               10.1021/acs.inorgchem.5b02457
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C32 H48 Fe N6'
_chemical_formula_weight         572.61
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.145(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.5763(4)
_cell_length_b                   10.8603(3)
_cell_length_c                   12.8858(4)
_cell_measurement_reflns_used    13037
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      75.1310
_cell_measurement_theta_min      3.4250
_cell_volume                     1461.27(8)
_computing_cell_refinement
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_data_collection
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_data_reduction
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_computing_molecular_graphics    'Bruker XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.3543
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur, Atlas, Nova'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0220
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            30957
_diffrn_reflns_theta_full        75.00
_diffrn_reflns_theta_max         75.78
_diffrn_reflns_theta_min         5.03
_exptl_absorpt_coefficient_mu    4.372
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro, Agilent Technologies, 
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET) 
(compiled Feb  1 2013,16:14:44) 
;
_exptl_crystal_colour            'dark orange'
_exptl_crystal_density_diffrn    1.301
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.269
_refine_diff_density_min         -0.232
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     184
_refine_ls_number_reflns         3017
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0416P)²+0.5877P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0815
_reflns_number_gt                2763
_reflns_number_total             3017
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b02457_si_002.cif
_cod_data_source_block           kress08
_cod_original_cell_volume        1461.28(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4346965
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Fe Fe 0.5000 1.0000 0.5000 0.01833(10) Uani 1 2 d S
N1 N 0.62280(13) 0.80873(12) 0.66580(10) 0.0225(3) Uani 1 1 d .
N2 N 0.66408(12) 0.59681(11) 0.61034(10) 0.0202(3) Uani 1 1 d .
N3 N 0.54860(12) 0.62873(12) 0.73625(10) 0.0227(3) Uani 1 1 d .
C1 C 0.63907(14) 0.87710(13) 0.57799(11) 0.0202(3) Uani 1 1 d .
C2 C 0.68238(15) 1.00209(13) 0.58457(13) 0.0224(3) Uani 1 1 d .
H2 H 0.7080 1.0469 0.6477 0.027 Uiso 1 1 calc R
C3 C 0.68070(15) 1.04849(15) 0.48051(13) 0.0257(3) Uani 1 1 d .
H3 H 0.7071 1.1283 0.4626 0.031 Uiso 1 1 calc R
C4 C 0.63266(15) 0.95423(16) 0.40863(12) 0.0257(3) Uani 1 1 d .
H4 H 0.6209 0.9599 0.3341 0.031 Uiso 1 1 calc R
C5 C 0.60496(14) 0.84902(14) 0.46812(12) 0.0227(3) Uani 1 1 d .
H5 H 0.5699 0.7734 0.4397 0.027 Uiso 1 1 calc R
C6 C 0.61396(14) 0.68889(14) 0.66679(11) 0.0200(3) Uani 1 1 d .
C7 C 0.62798(15) 0.48074(13) 0.64629(12) 0.0212(3) Uani 1 1 d .
C8 C 0.55562(15) 0.50089(13) 0.72172(12) 0.0222(3) Uani 1 1 d .
C9 C 0.78174(14) 0.61859(14) 0.56456(11) 0.0212(3) Uani 1 1 d .
H9 H 0.7867 0.7092 0.5520 0.025 Uiso 1 1 calc R
C10 C 0.90113(15) 0.58367(15) 0.64238(13) 0.0265(3) Uani 1 1 d .
H10A H 0.9014 0.6286 0.7084 0.040 Uiso 1 1 calc R
H10B H 0.9779 0.6051 0.6126 0.040 Uiso 1 1 calc R
H10C H 0.9006 0.4949 0.6560 0.040 Uiso 1 1 calc R
C11 C 0.77666(17) 0.55560(15) 0.45818(13) 0.0286(3) Uani 1 1 d .
H11A H 0.7883 0.4667 0.4686 0.043 Uiso 1 1 calc R
H11B H 0.8450 0.5881 0.4228 0.043 Uiso 1 1 calc R
H11C H 0.6934 0.5715 0.4148 0.043 Uiso 1 1 calc R
C12 C 0.66499(16) 0.36118(14) 0.60296(13) 0.0271(3) Uani 1 1 d .
H12A H 0.6329 0.2932 0.6415 0.041 Uiso 1 1 calc R
H12B H 0.7585 0.3561 0.6105 0.041 Uiso 1 1 calc R
H12C H 0.6279 0.3556 0.5284 0.041 Uiso 1 1 calc R
C13 C 0.49707(17) 0.40886(16) 0.78565(13) 0.0293(3) Uani 1 1 d .
H13A H 0.5006 0.3270 0.7542 0.044 Uiso 1 1 calc R
H13B H 0.4076 0.4312 0.7873 0.044 Uiso 1 1 calc R
H13C H 0.5445 0.4079 0.8574 0.044 Uiso 1 1 calc R
C14 C 0.46555(15) 0.69797(15) 0.79712(12) 0.0263(3) Uani 1 1 d .
H14 H 0.4931 0.7860 0.7961 0.032 Uiso 1 1 calc R
C15 C 0.32751(16) 0.69421(17) 0.74306(13) 0.0314(4) Uani 1 1 d .
H15A H 0.3217 0.7273 0.6717 0.047 Uiso 1 1 calc R
H15B H 0.2746 0.7440 0.7829 0.047 Uiso 1 1 calc R
H15C H 0.2969 0.6089 0.7396 0.047 Uiso 1 1 calc R
C16 C 0.48346(17) 0.66003(17) 0.91186(13) 0.0321(4) Uani 1 1 d .
H16A H 0.4390 0.5820 0.9186 0.048 Uiso 1 1 calc R
H16B H 0.4480 0.7237 0.9528 0.048 Uiso 1 1 calc R
H16C H 0.5750 0.6499 0.9384 0.048 Uiso 1 1 calc R
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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 '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
C4 Fe C4 180.0 . 3_676
C4 Fe C3 40.84(7) . .
C4 Fe C3 139.16(7) 3_676 .
C4 Fe C3 139.16(7) . 3_676
C4 Fe C3 40.84(7) 3_676 3_676
C3 Fe C3 180.0 . 3_676
C4 Fe C5 139.01(6) . 3_676
C4 Fe C5 40.99(6) 3_676 3_676
C3 Fe C5 111.42(6) . 3_676
C3 Fe C5 68.58(6) 3_676 3_676
C4 Fe C5 40.99(6) . .
C4 Fe C5 139.01(6) 3_676 .
C3 Fe C5 68.58(6) . .
C3 Fe C5 111.42(6) 3_676 .
C5 Fe C5 180.00(8) 3_676 .
C4 Fe C2 68.55(6) . .
C4 Fe C2 111.45(6) 3_676 .
C3 Fe C2 40.87(6) . .
C3 Fe C2 139.13(6) 3_676 .
C5 Fe C2 112.04(6) 3_676 .
C5 Fe C2 67.96(6) . .
C4 Fe C2 111.45(6) . 3_676
C4 Fe C2 68.55(6) 3_676 3_676
C3 Fe C2 139.13(6) . 3_676
C3 Fe C2 40.87(6) 3_676 3_676
C5 Fe C2 67.96(6) 3_676 3_676
C5 Fe C2 112.04(6) . 3_676
C2 Fe C2 180.0 . 3_676
C4 Fe C1 68.24(6) . .
C4 Fe C1 111.76(6) 3_676 .
C3 Fe C1 68.09(6) . .
C3 Fe C1 111.91(6) 3_676 .
C5 Fe C1 139.77(6) 3_676 .
C5 Fe C1 40.23(6) . .
C2 Fe C1 40.03(6) . .
C2 Fe C1 139.97(6) 3_676 .
C4 Fe C1 111.76(6) . 3_676
C4 Fe C1 68.24(6) 3_676 3_676
C3 Fe C1 111.91(6) . 3_676
C3 Fe C1 68.09(6) 3_676 3_676
C5 Fe C1 40.23(6) 3_676 3_676
C5 Fe C1 139.77(6) . 3_676
C2 Fe C1 139.97(6) . 3_676
C2 Fe C1 40.03(6) 3_676 3_676
C1 Fe C1 180.0 . 3_676
C6 N1 C1 124.08(13) . .
C6 N2 C7 108.92(12) . .
C6 N2 C9 120.58(12) . .
C7 N2 C9 124.10(12) . .
C6 N3 C8 109.83(12) . .
C6 N3 C14 120.42(13) . .
C8 N3 C14 128.61(13) . .
N1 C1 C2 122.66(14) . .
N1 C1 C5 130.23(14) . .
C2 C1 C5 106.72(13) . .
N1 C1 Fe 123.90(10) . .
C2 C1 Fe 67.78(8) . .
C5 C1 Fe 67.64(8) . .
C3 C2 C1 108.82(14) . .
C3 C2 Fe 68.69(9) . .
C1 C2 Fe 72.19(9) . .
C4 C3 C2 107.91(14) . .
C4 C3 Fe 69.41(9) . .
C2 C3 Fe 70.44(9) . .
C3 C4 C5 107.98(13) . .
C3 C4 Fe 69.75(9) . .
C5 C4 Fe 70.49(9) . .
C4 C5 C1 108.51(13) . .
C4 C5 Fe 68.52(9) . .
C1 C5 Fe 72.13(8) . .
N1 C6 N3 121.52(13) . .
N1 C6 N2 132.73(14) . .
N3 C6 N2 105.71(12) . .
C8 C7 N2 107.76(13) . .
C8 C7 C12 128.69(14) . .
N2 C7 C12 123.54(14) . .
C7 C8 N3 107.75(13) . .
C7 C8 C13 128.55(14) . .
N3 C8 C13 123.61(14) . .
N2 C9 C11 112.04(12) . .
N2 C9 C10 110.99(12) . .
C11 C9 C10 112.66(13) . .
N3 C14 C15 110.73(13) . .
N3 C14 C16 112.79(13) . .
C15 C14 C16 113.74(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe C4 2.0315(15) .
Fe C4 2.0315(15) 3_676
Fe C3 2.0360(16) .
Fe C3 2.0360(16) 3_676
Fe C5 2.0578(15) 3_676
Fe C5 2.0578(15) .
Fe C2 2.0592(15) .
Fe C2 2.0592(15) 3_676
Fe C1 2.1178(14) .
Fe C1 2.1178(14) 3_676
N1 C6 1.305(2) .
N1 C1 1.3868(19) .
N2 C6 1.3901(19) .
N2 C7 1.4162(19) .
N2 C9 1.4786(18) .
N3 C6 1.3794(19) .
N3 C8 1.4045(19) .
N3 C14 1.4735(19) .
C1 C2 1.431(2) .
C1 C5 1.437(2) .
C2 C3 1.430(2) .
C3 C4 1.419(2) .
C4 C5 1.432(2) .
C7 C8 1.347(2) .
C7 C12 1.490(2) .
C8 C13 1.491(2) .
C9 C11 1.525(2) .
C9 C10 1.530(2) .
C14 C15 1.515(2) .
C14 C16 1.517(2) .
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
C6 N1 C1 C2 -162.74(15) .
C6 N1 C1 C5 25.4(2) .
C6 N1 C1 Fe 113.60(15) .
C4 Fe C1 N1 -162.54(14) .
C4 Fe C1 N1 17.46(14) 3_676
C3 Fe C1 N1 153.30(14) .
C3 Fe C1 N1 -26.70(14) 3_676
C5 Fe C1 N1 55.59(16) 3_676
C5 Fe C1 N1 -124.41(16) .
C2 Fe C1 N1 115.33(16) .
C2 Fe C1 N1 -64.67(16) 3_676
C1 Fe C1 N1 -48(100) 3_676
C4 Fe C1 C2 82.13(10) .
C4 Fe C1 C2 -97.87(10) 3_676
C3 Fe C1 C2 37.97(9) .
C3 Fe C1 C2 -142.03(9) 3_676
C5 Fe C1 C2 -59.74(13) 3_676
C5 Fe C1 C2 120.26(13) .
C2 Fe C1 C2 180.0 3_676
C1 Fe C1 C2 -163(100) 3_676
C4 Fe C1 C5 -38.13(9) .
C4 Fe C1 C5 141.87(9) 3_676
C3 Fe C1 C5 -82.29(10) .
C3 Fe C1 C5 97.71(10) 3_676
C5 Fe C1 C5 180.000(1) 3_676
C2 Fe C1 C5 -120.26(13) .
C2 Fe C1 C5 59.74(13) 3_676
C1 Fe C1 C5 76(100) 3_676
N1 C1 C2 C3 -176.14(13) .
C5 C1 C2 C3 -2.64(17) .
Fe C1 C2 C3 -59.15(10) .
N1 C1 C2 Fe -116.99(14) .
C5 C1 C2 Fe 56.52(10) .
C4 Fe C2 C3 37.99(10) .
C4 Fe C2 C3 -142.01(10) 3_676
C3 Fe C2 C3 180.0 3_676
C5 Fe C2 C3 -97.72(10) 3_676
C5 Fe C2 C3 82.28(10) .
C2 Fe C2 C3 120(100) 3_676
C1 Fe C2 C3 119.28(13) .
C1 Fe C2 C3 -60.72(13) 3_676
C4 Fe C2 C1 -81.28(10) .
C4 Fe C2 C1 98.72(10) 3_676
C3 Fe C2 C1 -119.28(13) .
C3 Fe C2 C1 60.72(13) 3_676
C5 Fe C2 C1 143.00(9) 3_676
C5 Fe C2 C1 -37.00(9) .
C2 Fe C2 C1 1(100) 3_676
C1 Fe C2 C1 180.0 3_676
C1 C2 C3 C4 1.80(17) .
Fe C2 C3 C4 -59.53(11) .
C1 C2 C3 Fe 61.32(11) .
C4 Fe C3 C4 180.0 3_676
C3 Fe C3 C4 19(100) 3_676
C5 Fe C3 C4 -141.81(9) 3_676
C5 Fe C3 C4 38.19(9) .
C2 Fe C3 C4 118.83(13) .
C2 Fe C3 C4 -61.17(13) 3_676
C1 Fe C3 C4 81.62(9) .
C1 Fe C3 C4 -98.38(9) 3_676
C4 Fe C3 C2 -118.83(13) .
C4 Fe C3 C2 61.17(13) 3_676
C3 Fe C3 C2 -100(100) 3_676
C5 Fe C3 C2 99.36(9) 3_676
C5 Fe C3 C2 -80.64(9) .
C2 Fe C3 C2 180.0 3_676
C1 Fe C3 C2 -37.21(9) .
C1 Fe C3 C2 142.79(9) 3_676
C2 C3 C4 C5 -0.23(17) .
Fe C3 C4 C5 -60.40(11) .
C2 C3 C4 Fe 60.17(11) .
C4 Fe C4 C3 -136(100) 3_676
C3 Fe C4 C3 180.0 3_676
C5 Fe C4 C3 61.33(13) 3_676
C5 Fe C4 C3 -118.67(13) .
C2 Fe C4 C3 -38.02(9) .
C2 Fe C4 C3 141.98(9) 3_676
C1 Fe C4 C3 -81.22(9) .
C1 Fe C4 C3 98.78(9) 3_676
C4 Fe C4 C5 -18(100) 3_676
C3 Fe C4 C5 118.67(13) .
C3 Fe C4 C5 -61.33(13) 3_676
C5 Fe C4 C5 180.0 3_676
C2 Fe C4 C5 80.65(9) .
C2 Fe C4 C5 -99.35(9) 3_676
C1 Fe C4 C5 37.45(9) .
C1 Fe C4 C5 -142.55(9) 3_676
C3 C4 C5 C1 -1.42(17) .
Fe C4 C5 C1 -61.35(10) .
C3 C4 C5 Fe 59.93(11) .
N1 C1 C5 C4 175.32(14) .
C2 C1 C5 C4 2.49(17) .
Fe C1 C5 C4 59.09(10) .
N1 C1 C5 Fe 116.23(16) .
C2 C1 C5 Fe -56.60(10) .
C4 Fe C5 C4 180.0 3_676
C3 Fe C5 C4 -38.06(9) .
C3 Fe C5 C4 141.94(9) 3_676
C5 Fe C5 C4 174(100) 3_676
C2 Fe C5 C4 -82.21(10) .
C2 Fe C5 C4 97.79(10) 3_676
C1 Fe C5 C4 -119.03(13) .
C1 Fe C5 C4 60.97(13) 3_676
C4 Fe C5 C1 119.03(13) .
C4 Fe C5 C1 -60.97(13) 3_676
C3 Fe C5 C1 80.97(9) .
C3 Fe C5 C1 -99.03(9) 3_676
C5 Fe C5 C1 -67(100) 3_676
C2 Fe C5 C1 36.82(9) .
C2 Fe C5 C1 -143.18(9) 3_676
C1 Fe C5 C1 180.0 3_676
C1 N1 C6 N3 -153.19(14) .
C1 N1 C6 N2 29.6(3) .
C8 N3 C6 N1 -179.09(14) .
C14 N3 C6 N1 12.1(2) .
C8 N3 C6 N2 -1.24(16) .
C14 N3 C6 N2 -170.03(13) .
C7 N2 C6 N1 177.66(16) .
C9 N2 C6 N1 24.7(2) .
C7 N2 C6 N3 0.16(15) .
C9 N2 C6 N3 -152.83(12) .
C6 N2 C7 C8 1.01(17) .
C9 N2 C7 C8 152.84(14) .
C6 N2 C7 C12 179.90(14) .
C9 N2 C7 C12 -28.3(2) .
N2 C7 C8 N3 -1.74(17) .
C12 C7 C8 N3 179.45(15) .
N2 C7 C8 C13 -178.43(15) .
C12 C7 C8 C13 2.8(3) .
C6 N3 C8 C7 1.90(18) .
C14 N3 C8 C7 169.52(14) .
C6 N3 C8 C13 178.79(14) .
C14 N3 C8 C13 -13.6(2) .
C6 N2 C9 C11 -143.32(13) .
C7 N2 C9 C11 67.93(18) .
C6 N2 C9 C10 89.77(16) .
C7 N2 C9 C10 -58.98(18) .
C6 N3 C14 C15 95.76(17) .
C8 N3 C14 C15 -70.7(2) .
C6 N3 C14 C16 -135.49(15) .
C8 N3 C14 C16 58.0(2) .
