#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/24/8102404.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_8102404
loop_
_publ_author_name
'Lei Gou'
_publ_section_title
;
 Crystal structure of
 di(μ-chloro)-dichloro-bis(4'-(3-pyridyl)-2,2':6',2''-terpyridine)dinickel(II),
 [Ni(C20H14N4)Cl2]2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              91
_journal_volume                  224
_journal_year                    2009
_chemical_formula_sum            'C40 H28 Cl4 N8 Ni2'
_chemical_formula_weight         879.92
_chemical_name_systematic
; 
di-(μ-chloro)-dichloro-bis(4'-(3-pyridyl)-
2,2':6';2''-terpyridine)-dinickel(II), 
[Ni(C₂₀H₁₄N₄)Cl₂]₂
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.531(12)
_cell_angle_beta                 93.026(11)
_cell_angle_gamma                100.361(10)
_cell_formula_units_Z            1
_cell_length_a                   8.0235(12)
_cell_length_b                   8.8710(14)
_cell_length_c                   13.009(2)
_cell_measurement_reflns_used    2192
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      20.31
_cell_measurement_theta_min      2.73
_cell_volume                     908.2(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0324
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9164
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.74
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.375
_exptl_absorpt_correction_T_max  0.8980
_exptl_absorpt_correction_T_min  0.7899
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             448
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.345
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.072
_refine_ls_extinction_coef       0.0128(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         3207
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0281
_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)+(0.0455P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0763
_reflns_number_gt                2492
_reflns_number_total             3207
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2504.cff
_cod_data_source_block           xb0444m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102404
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.98360(3) 1.04190(3) 0.13713(2) 0.02782(12) Uani 1 1 d . . .
Cl1 Cl 0.81475(7) 0.88222(7) -0.01445(4) 0.03519(17) Uani 1 1 d . . .
Cl2 Cl 1.15337(7) 1.17971(7) 0.28325(5) 0.03432(17) Uani 1 1 d . . .
N1 N 1.0540(2) 0.8405(2) 0.18751(15) 0.0297(4) Uani 1 1 d . . .
N2 N 0.7952(2) 0.9629(2) 0.22513(14) 0.0270(4) Uani 1 1 d . . .
N3 N 0.8300(2) 1.2110(2) 0.12648(14) 0.0280(4) Uani 1 1 d . . .
C19 C 0.1540(3) 0.8295(3) 0.5098(2) 0.0407(6) Uani 1 1 d . . .
H19 H 0.0646 0.8806 0.5213 0.049 Uiso 1 1 calc R . .
C1 C 1.1921(3) 0.7849(3) 0.16321(19) 0.0356(6) Uani 1 1 d . . .
H1 H 1.2681 0.8395 0.1207 0.043 Uiso 1 1 calc R . .
C2 C 1.2250(3) 0.6489(3) 0.1994(2) 0.0423(7) Uani 1 1 d . . .
H2 H 1.3219 0.6128 0.1814 0.051 Uiso 1 1 calc R . .
C3 C 1.1146(3) 0.5675(3) 0.2618(2) 0.0450(7) Uani 1 1 d . . .
H3 H 1.1345 0.4749 0.2860 0.054 Uiso 1 1 calc R . .
C4 C 0.9726(3) 0.6250(3) 0.2886(2) 0.0391(6) Uani 1 1 d . . .
H4 H 0.8964 0.5724 0.3317 0.047 Uiso 1 1 calc R . .
C5 C 0.9460(3) 0.7620(3) 0.25007(18) 0.0301(5) Uani 1 1 d . . .
C6 C 0.7988(3) 0.8347(3) 0.27434(17) 0.0289(5) Uani 1 1 d . . .
C7 C 0.6753(3) 0.7807(3) 0.34046(19) 0.0332(6) Uani 1 1 d . . .
H7 H 0.6805 0.6915 0.3745 0.040 Uiso 1 1 calc R . .
C8 C 0.5421(3) 0.8602(3) 0.35636(18) 0.0307(5) Uani 1 1 d . . .
C9 C 0.5401(3) 0.9918(3) 0.30093(19) 0.0328(6) Uani 1 1 d . . .
H9 H 0.4520 1.0463 0.3075 0.039 Uiso 1 1 calc R . .
C10 C 0.6679(3) 1.0411(3) 0.23667(17) 0.0270(5) Uani 1 1 d . . .
C11 C 0.6863(3) 1.1814(3) 0.17735(18) 0.0281(5) Uani 1 1 d . . .
C12 C 0.5681(3) 1.2765(3) 0.1741(2) 0.0390(6) Uani 1 1 d . . .
H12 H 0.4686 1.2529 0.2083 0.047 Uiso 1 1 calc R . .
C13 C 0.5996(3) 1.4068(3) 0.1196(2) 0.0446(7) Uani 1 1 d . . .
H13 H 0.5208 1.4719 0.1161 0.054 Uiso 1 1 calc R . .
C14 C 0.7477(3) 1.4405(3) 0.0703(2) 0.0398(6) Uani 1 1 d . . .
H14 H 0.7725 1.5298 0.0348 0.048 Uiso 1 1 calc R . .
C15 C 0.8591(3) 1.3387(3) 0.07472(18) 0.0323(5) Uani 1 1 d . . .
H15 H 0.9586 1.3601 0.0402 0.039 Uiso 1 1 calc R . .
C17 C 0.4096(3) 0.8084(3) 0.42775(18) 0.0334(6) Uani 1 1 d . . .
C16 C 0.4098(4) 0.6789(4) 0.4828(3) 0.0670(10) Uani 1 1 d . . .
H16 H 0.4995 0.6269 0.4749 0.080 Uiso 1 1 calc R . .
N4 N 0.2916(4) 0.6218(3) 0.5468(2) 0.0745(9) Uani 1 1 d . . .
C20 C 0.1666(4) 0.6987(3) 0.5586(2) 0.0511(7) Uani 1 1 d . . .
H20 H 0.0827 0.6616 0.6025 0.061 Uiso 1 1 calc R . .
C18 C 0.2752(3) 0.8847(3) 0.44346(19) 0.0354(6) Uani 1 1 d . . .
H18 H 0.2675 0.9732 0.4090 0.042 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 0.0033 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'
Ni Ni 0.3393 1.1124 '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'
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
N2 Ni1 N1 78.02(7) . . ?
N2 Ni1 N3 77.79(7) . . ?
N1 Ni1 N3 155.80(8) . . ?
N2 Ni1 Cl1 172.53(6) . 2_775 ?
N1 Ni1 Cl1 102.11(6) . 2_775 ?
N3 Ni1 Cl1 101.94(6) . 2_775 ?
N2 Ni1 Cl2 92.01(6) . . ?
N1 Ni1 Cl2 88.25(5) . . ?
N3 Ni1 Cl2 92.12(5) . . ?
Cl1 Ni1 Cl2 95.46(3) 2_775 . ?
N2 Ni1 Cl1 88.16(6) . . ?
N1 Ni1 Cl1 88.14(5) . . ?
N3 Ni1 Cl1 91.56(5) . . ?
Cl1 Ni1 Cl1 84.38(3) 2_775 . ?
Cl2 Ni1 Cl1 176.26(2) . . ?
Ni1 Cl1 Ni1 95.62(3) 2_775 . ?
C1 N1 C5 118.8(2) . . ?
C1 N1 Ni1 126.57(17) . . ?
C5 N1 Ni1 114.63(14) . . ?
C6 N2 C10 120.6(2) . . ?
C6 N2 Ni1 119.52(15) . . ?
C10 N2 Ni1 119.84(15) . . ?
C15 N3 C11 118.41(19) . . ?
C15 N3 Ni1 127.19(16) . . ?
C11 N3 Ni1 114.39(15) . . ?
C20 C19 C18 119.1(2) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
N1 C1 C2 121.8(2) . . ?
N1 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C3 C2 C1 119.7(2) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 119.0(2) . . ?
C2 C3 H3 120.5 . . ?
C4 C3 H3 120.5 . . ?
C5 C4 C3 118.9(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 121.8(2) . . ?
N1 C5 C6 114.74(19) . . ?
C4 C5 C6 123.5(2) . . ?
N2 C6 C7 121.2(2) . . ?
N2 C6 C5 113.0(2) . . ?
C7 C6 C5 125.8(2) . . ?
C6 C7 C8 120.1(2) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C7 C8 C9 116.9(2) . . ?
C7 C8 C17 121.9(2) . . ?
C9 C8 C17 121.2(2) . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
N2 C10 C9 120.7(2) . . ?
N2 C10 C11 113.0(2) . . ?
C9 C10 C11 126.2(2) . . ?
N3 C11 C12 121.8(2) . . ?
N3 C11 C10 114.83(18) . . ?
C12 C11 C10 123.4(2) . . ?
C13 C12 C11 119.0(2) . . ?
C13 C12 H12 120.5 . . ?
C11 C12 H12 120.5 . . ?
C14 C13 C12 119.7(2) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 118.4(2) . . ?
C13 C14 H14 120.8 . . ?
C15 C14 H14 120.8 . . ?
N3 C15 C14 122.7(2) . . ?
N3 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C16 C17 C18 115.5(2) . . ?
C16 C17 C8 121.9(2) . . ?
C18 C17 C8 122.6(2) . . ?
N4 C16 C17 125.5(3) . . ?
N4 C16 H16 117.2 . . ?
C17 C16 H16 117.2 . . ?
C20 N4 C16 116.4(2) . . ?
N4 C20 C19 123.5(3) . . ?
N4 C20 H20 118.2 . . ?
C19 C20 H20 118.2 . . ?
C19 C18 C17 120.0(2) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
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
Ni1 N2 1.9899(19) . ?
Ni1 N1 2.0902(18) . ?
Ni1 N3 2.1108(18) . ?
Ni1 Cl1 2.3651(7) 2_775 ?
Ni1 Cl2 2.4261(8) . ?
Ni1 Cl1 2.5518(8) . ?
Cl1 Ni1 2.3651(7) 2_775 ?
N1 C1 1.339(3) . ?
N1 C5 1.344(3) . ?
N2 C6 1.333(3) . ?
N2 C10 1.345(3) . ?
N3 C15 1.334(3) . ?
N3 C11 1.350(3) . ?
C19 C20 1.363(4) . ?
C19 C18 1.373(4) . ?
C19 H19 0.9300 . ?
C1 C2 1.377(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.365(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.383(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.381(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.485(3) . ?
C6 C7 1.381(3) . ?
C7 C8 1.401(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.401(3) . ?
C8 C17 1.473(3) . ?
C9 C10 1.380(3) . ?
C9 H9 0.9300 . ?
C10 C11 1.482(3) . ?
C11 C12 1.378(3) . ?
C12 C13 1.375(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.372(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.381(3) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C17 C16 1.381(4) . ?
C17 C18 1.392(3) . ?
C16 N4 1.340(4) . ?
C16 H16 0.9300 . ?
N4 C20 1.323(3) . ?
C20 H20 0.9300 . ?
C18 H18 0.9300 . ?
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
N2 Ni1 Cl1 Ni1 179.57(5) . . . 2_775 ?
N1 Ni1 Cl1 Ni1 -102.37(6) . . . 2_775 ?
N3 Ni1 Cl1 Ni1 101.84(6) . . . 2_775 ?
Cl1 Ni1 Cl1 Ni1 0.0 2_775 . . 2_775 ?
Cl2 Ni1 Cl1 Ni1 -87.7(4) . . . 2_775 ?
N2 Ni1 N1 C1 179.6(2) . . . . ?
N3 Ni1 N1 C1 -179.21(18) . . . . ?
Cl1 Ni1 N1 C1 7.3(2) 2_775 . . . ?
Cl2 Ni1 N1 C1 -87.93(19) . . . . ?
Cl1 Ni1 N1 C1 91.12(19) . . . . ?
N2 Ni1 N1 C5 -0.07(15) . . . . ?
N3 Ni1 N1 C5 1.1(3) . . . . ?
Cl1 Ni1 N1 C5 -172.43(15) 2_775 . . . ?
Cl2 Ni1 N1 C5 92.36(15) . . . . ?
Cl1 Ni1 N1 C5 -88.59(15) . . . . ?
N1 Ni1 N2 C6 2.00(16) . . . . ?
N3 Ni1 N2 C6 -177.52(18) . . . . ?
Cl1 Ni1 N2 C6 93.8(4) 2_775 . . . ?
Cl2 Ni1 N2 C6 -85.78(16) . . . . ?
Cl1 Ni1 N2 C6 90.48(16) . . . . ?
N1 Ni1 N2 C10 -179.79(18) . . . . ?
N3 Ni1 N2 C10 0.70(16) . . . . ?
Cl1 Ni1 N2 C10 -88.0(4) 2_775 . . . ?
Cl2 Ni1 N2 C10 92.43(16) . . . . ?
Cl1 Ni1 N2 C10 -91.30(16) . . . . ?
N2 Ni1 N3 C15 178.6(2) . . . . ?
N1 Ni1 N3 C15 177.49(18) . . . . ?
Cl1 Ni1 N3 C15 -9.0(2) 2_775 . . . ?
Cl2 Ni1 N3 C15 87.04(19) . . . . ?
Cl1 Ni1 N3 C15 -93.58(19) . . . . ?
N2 Ni1 N3 C11 -2.46(15) . . . . ?
N1 Ni1 N3 C11 -3.6(3) . . . . ?
Cl1 Ni1 N3 C11 169.91(14) 2_775 . . . ?
Cl2 Ni1 N3 C11 -94.06(15) . . . . ?
Cl1 Ni1 N3 C11 85.33(15) . . . . ?
C5 N1 C1 C2 0.9(3) . . . . ?
Ni1 N1 C1 C2 -178.82(18) . . . . ?
N1 C1 C2 C3 0.0(4) . . . . ?
C1 C2 C3 C4 -0.9(4) . . . . ?
C2 C3 C4 C5 0.9(4) . . . . ?
C1 N1 C5 C4 -0.9(3) . . . . ?
Ni1 N1 C5 C4 178.83(18) . . . . ?
C1 N1 C5 C6 178.7(2) . . . . ?
Ni1 N1 C5 C6 -1.6(2) . . . . ?
C3 C4 C5 N1 0.0(4) . . . . ?
C3 C4 C5 C6 -179.5(2) . . . . ?
C10 N2 C6 C7 -1.7(3) . . . . ?
Ni1 N2 C6 C7 176.47(17) . . . . ?
C10 N2 C6 C5 178.44(19) . . . . ?
Ni1 N2 C6 C5 -3.4(3) . . . . ?
N1 C5 C6 N2 3.2(3) . . . . ?
C4 C5 C6 N2 -177.3(2) . . . . ?
N1 C5 C6 C7 -176.7(2) . . . . ?
C4 C5 C6 C7 2.9(4) . . . . ?
N2 C6 C7 C8 0.5(4) . . . . ?
C5 C6 C7 C8 -179.7(2) . . . . ?
C6 C7 C8 C9 1.4(3) . . . . ?
C6 C7 C8 C17 -178.8(2) . . . . ?
C7 C8 C9 C10 -2.0(3) . . . . ?
C17 C8 C9 C10 178.1(2) . . . . ?
C6 N2 C10 C9 1.1(3) . . . . ?
Ni1 N2 C10 C9 -177.13(17) . . . . ?
C6 N2 C10 C11 179.21(19) . . . . ?
Ni1 N2 C10 C11 1.0(3) . . . . ?
C8 C9 C10 N2 0.9(3) . . . . ?
C8 C9 C10 C11 -177.0(2) . . . . ?
C15 N3 C11 C12 2.2(3) . . . . ?
Ni1 N3 C11 C12 -176.85(19) . . . . ?
C15 N3 C11 C10 -177.3(2) . . . . ?
Ni1 N3 C11 C10 3.7(2) . . . . ?
N2 C10 C11 N3 -3.1(3) . . . . ?
C9 C10 C11 N3 174.9(2) . . . . ?
N2 C10 C11 C12 177.4(2) . . . . ?
C9 C10 C11 C12 -4.6(4) . . . . ?
N3 C11 C12 C13 -1.6(4) . . . . ?
C10 C11 C12 C13 177.9(2) . . . . ?
C11 C12 C13 C14 -0.5(4) . . . . ?
C12 C13 C14 C15 1.9(4) . . . . ?
C11 N3 C15 C14 -0.7(3) . . . . ?
Ni1 N3 C15 C14 178.18(18) . . . . ?
C13 C14 C15 N3 -1.3(4) . . . . ?
C7 C8 C17 C16 0.1(4) . . . . ?
C9 C8 C17 C16 180.0(3) . . . . ?
C7 C8 C17 C18 -179.1(2) . . . . ?
C9 C8 C17 C18 0.7(4) . . . . ?
C18 C17 C16 N4 1.3(5) . . . . ?
C8 C17 C16 N4 -178.0(3) . . . . ?
C17 C16 N4 C20 -1.1(6) . . . . ?
C16 N4 C20 C19 -0.1(5) . . . . ?
C18 C19 C20 N4 1.0(5) . . . . ?
C20 C19 C18 C17 -0.8(4) . . . . ?
C16 C17 C18 C19 -0.3(4) . . . . ?
C8 C17 C18 C19 179.0(2) . . . . ?
