#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/28/2222827.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_2222827
loop_
_publ_author_name
'Li, Bing-Bing'
'Fang, Gai-Xia'
'Ji, Xiao-Na'
'Xiao, Bo'
'Tiekink, Edward R. T.'
_publ_section_title
Poly[[μ-1,4-bis(imidazol-1-ylmethyl)benzene]bis(μ₄-cyclohexane-1,4-dicarboxylato)dinickel(II)]
_journal_coeditor_code           NG2618
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1012
_journal_paper_doi               10.1107/S1600536809029249
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ni2 (C8 H10 O4)2 (C14 H14 N4)]'
_chemical_formula_moiety         'C30 H34 N4 Ni2 O8'
_chemical_formula_sum            'C30 H34 N4 Ni2 O8'
_chemical_formula_weight         696.03
_chemical_name_systematic
;
Poly[[μ-1,4-bis(imidazol-1-ylmethyl)benzene]bis(μ₄-cyclohexane-1,4-
dicarboxylato)dinickel(II)]
;
_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                93.567(6)
_cell_angle_beta                 100.608(6)
_cell_angle_gamma                105.807(6)
_cell_formula_units_Z            1
_cell_length_a                   8.4966(6)
_cell_length_b                   8.8076(6)
_cell_length_c                   10.7327(8)
_cell_measurement_reflns_used    3051
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      3.0
_cell_volume                     754.22(10)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       'φ and ω'
_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  0.025
_diffrn_reflns_av_sigmaI/netI    0.031
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6115
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         4.3
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.305
_exptl_absorpt_correction_T_max  0.791
_exptl_absorpt_correction_T_min  0.557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             362
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.30
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         2640
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_all          0.060
_refine_ls_R_factor_gt           0.052
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0653P)²+2.0659P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.136
_refine_ls_wR_factor_ref         0.139
_reflns_number_gt                2287
_reflns_number_total             2640
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ng2618.cif
_cod_data_source_block           I
_cod_original_cell_volume        754.22(9)
_cod_database_code               2222827
_cod_database_fobs_code          2222827
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni Ni 1.02456(6) 0.46763(6) 0.61988(5) 0.0239(2) Uani d . 1 . .
O O1 0.9631(4) 0.6690(4) 0.6585(3) 0.0338(7) Uani d . 1 . .
O O2 0.9113(4) 0.7154(4) 0.4545(3) 0.0335(7) Uani d . 1 . .
O O3 0.2691(4) 0.5884(4) 0.6790(3) 0.0397(8) Uani d . 1 . .
O O4 0.2180(4) 0.6331(4) 0.4772(3) 0.0418(8) Uani d . 1 . .
N N1 0.9779(5) 0.3729(5) 0.7773(4) 0.0437(8) Uani d U 1 C .
C C1 0.9120(5) 0.7449(5) 0.5710(4) 0.0264(9) Uani d . 1 . .
C C2 0.8505(5) 0.8851(5) 0.6088(4) 0.0297(10) Uani d . 1 . .
H H2 0.9473 0.9801 0.6264 0.036 Uiso calc R 1 . .
C C3 0.7810(5) 0.8673(6) 0.7302(4) 0.0358(11) Uani d . 1 . .
H H3A 0.8616 0.8425 0.7962 0.043 Uiso calc R 1 . .
H H3B 0.7655 0.9675 0.7597 0.043 Uiso calc R 1 . .
C C4 0.6153(5) 0.7376(6) 0.7096(4) 0.0323(10) Uani d . 1 . .
H H4A 0.5740 0.7329 0.7882 0.039 Uiso calc R 1 . .
H H4B 0.6319 0.6356 0.6870 0.039 Uiso calc R 1 . .
C C5 0.4869(5) 0.7705(5) 0.6037(4) 0.0245(9) Uani d . 1 . .
H H5 0.4763 0.8750 0.6305 0.029 Uiso calc R 1 . .
C C6 0.5532(5) 0.7863(6) 0.4803(4) 0.0298(10) Uani d . 1 . .
H H6A 0.5667 0.6854 0.4501 0.036 Uiso calc R 1 . .
H H6B 0.4726 0.8126 0.4152 0.036 Uiso calc R 1 . .
C C7 0.7204(5) 0.9147(6) 0.5016(5) 0.0340(11) Uani d . 1 . .
H H7A 0.7040 1.0172 0.5226 0.041 Uiso calc R 1 . .
H H7B 0.7620 0.9179 0.4231 0.041 Uiso calc R 1 . .
C C8 0.3134(5) 0.6545(5) 0.5852(4) 0.0287(10) Uani d . 1 . .
C C9 1.0595(8) 0.2825(7) 0.8462(5) 0.0573(9) Uani d U 1 C .
H H9 1.1499 0.2520 0.8274 0.069 Uiso calc R 1 . .
C C10 0.9880(8) 0.2448(7) 0.9457(6) 0.0573(9) Uani d U 1 . .
H H10 1.0191 0.1824 1.0070 0.069 Uiso calc R 1 A 1
C C11 0.8601(8) 0.3888(7) 0.8366(5) 0.0573(9) Uani d U 1 . .
H H11 0.7842 0.4449 0.8098 0.069 Uiso calc R 1 B 1
N N2 0.8646(6) 0.3123(5) 0.9419(4) 0.0437(8) Uani d PU 0.50 C 1
C C12 0.782(2) 0.287(2) 1.0446(17) 0.047(4) Uani d P 0.50 C 1
H H12A 0.7309 0.3719 1.0558 0.057 Uiso calc PR 0.50 C 1
H H12B 0.8638 0.2931 1.1222 0.057 Uiso calc PR 0.50 C 1
C C13 0.645(2) 0.125(2) 1.025(2) 0.037(4) Uani d P 0.50 C 1
C C14 0.653(4) 0.031(4) 1.109(3) 0.063(7) Uani d P 0.50 . 1
H H14 0.7448 0.0329 1.1717 0.075 Uiso calc PR 0.50 . 1
C C15 0.520(3) 0.084(3) 0.916(2) 0.050(5) Uani d P 0.50 . 1
H H15 0.5460 0.1367 0.8469 0.060 Uiso calc PR 0.50 . 1
N N2' 0.8646(6) 0.3123(5) 0.9419(4) 0.0437(8) Uani d PU 0.50 C 2
C C12' 0.716(2) 0.324(2) 1.0150(16) 0.059(5) Uani d P 0.50 C 2
H H12C 0.7636 0.3649 1.1041 0.071 Uiso calc PR 0.50 C 2
H H12D 0.6598 0.3975 0.9768 0.071 Uiso calc PR 0.50 C 2
C C13' 0.594(3) 0.164(2) 1.005(2) 0.045(5) Uani d P 0.50 C 2
C C14' 0.606(3) 0.063(4) 1.104(3) 0.057(8) Uani d P 0.50 . 2
H H14' 0.6670 0.1156 1.1832 0.068 Uiso calc PR 0.50 . 2
C C15' 0.464(3) 0.114(3) 0.898(3) 0.055(5) Uani d P 0.50 . 2
H H15' 0.4271 0.1766 0.8397 0.066 Uiso calc PR 0.50 . 2
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'
O O 0.0106 0.0060 '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
N1 Ni O2 . 2_766 95.33(16) ?
N1 Ni O3 . 1_655 100.50(16) ?
O2 Ni O3 2_766 1_655 89.68(14) ?
N1 Ni O1 . . 96.72(16) ?
O2 Ni O1 2_766 . 167.83(12) ?
O3 Ni O1 1_655 . 89.76(14) ?
N1 Ni O4 . 2_666 92.29(16) ?
O2 Ni O4 2_766 2_666 89.74(14) ?
O3 Ni O4 1_655 2_666 167.19(14) ?
O1 Ni O4 . 2_666 88.12(13) ?
N1 Ni Ni . 2_766 159.62(13) ?
O2 Ni Ni 2_766 2_766 83.45(9) ?
O3 Ni Ni 1_655 2_766 99.83(10) ?
O1 Ni Ni . 2_766 84.67(9) ?
O4 Ni Ni 2_666 2_766 67.40(10) ?
C1 O1 Ni . . 122.0(3) ?
C1 O2 Ni . 2_766 124.7(3) ?
C8 O3 Ni . 1_455 106.2(3) ?
C8 O4 Ni . 2_666 143.4(3) ?
C11 N1 C9 . . 106.2(5) ?
C11 N1 Ni . . 125.6(4) ?
C9 N1 Ni . . 128.2(4) ?
O2 C1 O1 . . 124.8(4) ?
O2 C1 C2 . . 117.1(4) ?
O1 C1 C2 . . 118.1(4) ?
C1 C2 C3 . . 112.5(4) ?
C1 C2 C7 . . 112.5(4) ?
C3 C2 C7 . . 109.7(3) ?
C1 C2 H2 . . 107.3 ?
C3 C2 H2 . . 107.3 ?
C7 C2 H2 . . 107.3 ?
C4 C3 C2 . . 112.4(4) ?
C4 C3 H3A . . 109.1 ?
C2 C3 H3A . . 109.1 ?
C4 C3 H3B . . 109.1 ?
C2 C3 H3B . . 109.1 ?
H3A C3 H3B . . 107.9 ?
C3 C4 C5 . . 110.5(4) ?
C3 C4 H4A . . 109.6 ?
C5 C4 H4A . . 109.6 ?
C3 C4 H4B . . 109.6 ?
C5 C4 H4B . . 109.6 ?
H4A C4 H4B . . 108.1 ?
C8 C5 C4 . . 113.8(4) ?
C8 C5 C6 . . 113.3(4) ?
C4 C5 C6 . . 110.4(3) ?
C8 C5 H5 . . 106.2 ?
C4 C5 H5 . . 106.2 ?
C6 C5 H5 . . 106.2 ?
C7 C6 C5 . . 111.1(4) ?
C7 C6 H6A . . 109.4 ?
C5 C6 H6A . . 109.4 ?
C7 C6 H6B . . 109.4 ?
C5 C6 H6B . . 109.4 ?
H6A C6 H6B . . 108.0 ?
C6 C7 C2 . . 112.0(4) ?
C6 C7 H7A . . 109.2 ?
C2 C7 H7A . . 109.2 ?
C6 C7 H7B . . 109.2 ?
C2 C7 H7B . . 109.2 ?
H7A C7 H7B . . 107.9 ?
O4 C8 O3 . . 122.9(4) ?
O4 C8 C5 . . 118.1(4) ?
O3 C8 C5 . . 119.0(4) ?
C10 C9 N1 . . 108.5(6) ?
C10 C9 H9 . . 125.7 ?
N1 C9 H9 . . 125.7 ?
N2 C10 N2 . . 0.00(18) ?
N2 C10 C9 . . 108.3(5) ?
N2' C10 C9 . . 108.3(5) ?
N2 C10 H10 . . 125.9 ?
N2' C10 H10 . . 125.9 ?
C9 C10 H10 . . 125.9 ?
N1 C11 N2 . . 110.5(6) ?
N1 C11 N2' . . 110.5(6) ?
N2 C11 N2 . . 0.0(3) ?
N1 C11 H11 . . 124.7 ?
N2 C11 H11 . . 124.7 ?
N2' C11 H11 . . 124.7 ?
C10 N2 C11 . . 106.4(5) ?
C10 N2 C12 . . 114.4(8) ?
C11 N2 C12 . . 139.1(8) ?
N2 C12 C13 . . 112.9(15) ?
N2 C12 H12A . . 109.0 ?
C13 C12 H12A . . 109.0 ?
N2' C12 H12B . . 109.0 ?
C13 C12 H12B . . 109.0 ?
H12A C12 H12B . . 107.8 ?
C14 C13 C15 . . 121(2) ?
C14 C13 C12 . . 119(2) ?
C15 C13 C12 . . 120.2(18) ?
C13 C14 C15 . 2_657 105(3) ?
C13 C14 H14 . . 127.7 ?
C15 C14 H14 2_657 . 127.7 ?
C13 C15 C14 . 2_657 131(3) ?
C13 C15 H15 . . 114.6 ?
C14 C15 H15 2_657 . 114.6 ?
C10 N2 C11 . . 106.4(5) ?
C10 N2 C12' . . 141.6(8) ?
C11 N2 C12' . . 111.8(9) ?
C13' C12' N2 . . 109.7(13) ?
C13' C12' H12C . . 109.7 ?
N2' C12' H12C . . 109.7 ?
C13' C12' H12D . . 109.7 ?
N2' C12' H12D . . 109.7 ?
H12C C12' H12D . . 108.2 ?
C15' C13' C14' . . 119(2) ?
C15' C13' C12' . . 118.9(18) ?
C14' C13' C12' . . 122(2) ?
C13' C14' C15' . 2_657 131(2) ?
C13' C14' H14' . . 114.4 ?
C15' C14' H14' 2_657 . 114.4 ?
C13' C15' C14' . 2_657 106(2) ?
C13' C15' H15' . . 126.8 ?
C14' C15' H15' 2_657 . 126.8 ?
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
Ni N1 . 1.987(4) ?
Ni O2 2_766 2.003(3) ?
Ni O3 1_655 2.019(3) ?
Ni O1 . 2.021(3) ?
Ni O4 2_666 2.054(3) ?
Ni Ni 2_766 2.6529(10) ?
O1 C1 . 1.266(5) ?
O2 C1 . 1.260(5) ?
O2 Ni 2_766 2.003(3) ?
O3 C8 . 1.260(6) ?
O3 Ni 1_455 2.019(3) ?
O4 C8 . 1.256(6) ?
O4 Ni 2_666 2.054(3) ?
N1 C11 . 1.314(8) ?
N1 C9 . 1.360(8) ?
C1 C2 . 1.526(6) ?
C2 C3 . 1.526(6) ?
C2 C7 . 1.530(6) ?
C2 H2 . 0.9800 ?
C3 C4 . 1.521(6) ?
C3 H3A . 0.9700 ?
C3 H3B . 0.9700 ?
C4 C5 . 1.524(6) ?
C4 H4A . 0.9700 ?
C4 H4B . 0.9700 ?
C5 C8 . 1.517(6) ?
C5 C6 . 1.531(6) ?
C5 H5 . 0.9800 ?
C6 C7 . 1.525(6) ?
C6 H6A . 0.9700 ?
C6 H6B . 0.9700 ?
C7 H7A . 0.9700 ?
C7 H7B . 0.9700 ?
C9 C10 . 1.339(8) ?
C9 H9 . 0.9300 ?
C10 N2 . 1.334(8) ?
C10 N2' . 1.334(8) ?
C10 H10 . 0.9300 ?
C11 N2 . 1.352(7) ?
C11 N2' . 1.352(7) ?
C11 H11 . 0.9300 ?
N2 C12 . 1.409(18) ?
C12 C13 . 1.55(3) ?
C12 H12A . 0.9700 ?
C12 H12B . 0.9700 ?
C13 C14 . 1.27(5) ?
C13 C15 . 1.38(3) ?
C14 C15 2_657 1.50(4) ?
C14 H14 . 0.9300 ?
C15 C14 2_657 1.50(4) ?
C15 H15 . 0.9300 ?
N2' C12' . 1.626(16) ?
C12' C13' . 1.49(3) ?
C12' H12C . 0.9700 ?
C12' H12D . 0.9700 ?
C13' C15' . 1.39(4) ?
C13' C14' . 1.43(5) ?
C14' C15' 2_657 1.50(5) ?
C14' H14' . 0.9300 ?
C15' C14' 2_657 1.50(5) ?
C15' H15' . 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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N1 Ni O1 C1 . . . . -153.4(3) ?
O2 Ni O1 C1 2_766 . . . 18.7(8) ?
O3 Ni O1 C1 1_655 . . . 106.0(3) ?
O4 Ni O1 C1 2_666 . . . -61.3(3) ?
Ni Ni O1 C1 2_766 . . . 6.1(3) ?
O2 Ni N1 C11 2_766 . . . -144.6(5) ?
O3 Ni N1 C11 1_655 . . . 124.7(5) ?
O1 Ni N1 C11 . . . . 33.7(5) ?
O4 Ni N1 C11 2_666 . . . -54.7(5) ?
Ni Ni N1 C11 2_766 . . . -59.1(7) ?
O2 Ni N1 C9 2_766 . . . 36.5(5) ?
O3 Ni N1 C9 1_655 . . . -54.2(5) ?
O1 Ni N1 C9 . . . . -145.2(5) ?
O4 Ni N1 C9 2_666 . . . 126.4(5) ?
Ni Ni N1 C9 2_766 . . . 122.0(5) ?
Ni O2 C1 O1 2_766 . . . 4.6(6) ?
Ni O2 C1 C2 2_766 . . . -177.0(3) ?
Ni O1 C1 O2 . . . . -8.1(6) ?
Ni O1 C1 C2 . . . . 173.4(3) ?
O2 C1 C2 C3 . . . . 153.7(4) ?
O1 C1 C2 C3 . . . . -27.8(5) ?
O2 C1 C2 C7 . . . . 29.2(5) ?
O1 C1 C2 C7 . . . . -152.3(4) ?
C1 C2 C3 C4 . . . . -70.5(5) ?
C7 C2 C3 C4 . . . . 55.6(5) ?
C2 C3 C4 C5 . . . . -57.3(5) ?
C3 C4 C5 C8 . . . . -174.8(4) ?
C3 C4 C5 C6 . . . . 56.5(5) ?
C8 C5 C6 C7 . . . . 174.9(3) ?
C4 C5 C6 C7 . . . . -56.2(5) ?
C5 C6 C7 C2 . . . . 55.8(5) ?
C1 C2 C7 C6 . . . . 71.4(5) ?
C3 C2 C7 C6 . . . . -54.6(5) ?
Ni O4 C8 O3 2_666 . . . 8.4(8) ?
Ni O4 C8 C5 2_666 . . . -169.0(3) ?
Ni O3 C8 O4 1_455 . . . -4.3(5) ?
Ni O3 C8 C5 1_455 . . . 173.0(3) ?
C4 C5 C8 O4 . . . . -154.6(4) ?
C6 C5 C8 O4 . . . . -27.4(5) ?
C4 C5 C8 O3 . . . . 27.9(5) ?
C6 C5 C8 O3 . . . . 155.1(4) ?
C11 N1 C9 C10 . . . . 0.4(6) ?
Ni N1 C9 C10 . . . . 179.5(4) ?
N1 C9 C10 N2 . . . . -1.1(7) ?
N1 C9 C10 N2' . . . . -1.1(7) ?
C9 N1 C11 N2 . . . . 0.4(6) ?
Ni N1 C11 N2 . . . . -178.7(3) ?
C9 N1 C11 N2' . . . . 0.4(6) ?
Ni N1 C11 N2' . . . . -178.7(3) ?
N2 C10 N2 C11 . . . . 0E1(10) ?
C9 C10 N2 C11 . . . . 1.3(7) ?
N2 C10 N2' C12 . . . . 0E1(10) ?
C9 C10 N2' C12 . . . . -177.6(9) ?
N1 C11 N2 C10 . . . . -1.1(6) ?
N2 C11 N2 C10 . . . . 0E1(10) ?
N1 C11 N2' C12 . . . . 177.4(12) ?
N2 C11 N2' C12 . . . . 0E1(10) ?
C10 N2 C12 C13 . . . . -82.7(13) ?
C11 N2 C12 C13 . . . . 98.9(15) ?
N2 C12 C13 C14 . . . . 124(2) ?
N2 C12 C13 C15 . . . . -55(2) ?
C15 C13 C14 C15 . . . 2_657 -19(3) ?
C12 C13 C14 C15 . . . 2_657 162.1(17) ?
C14 C13 C15 C14 . . . 2_657 24(4) ?
C12 C13 C15 C14 . . . 2_657 -157(2) ?
N2 C10 N2 C11 . . . . 0E1(10) ?
C9 C10 N2 C11 . . . . 1.3(7) ?
N2 C10 N2' C12' . . . . 0E1(10) ?
C9 C10 N2' C12' . . . . 176.8(11) ?
N1 C11 N2 C10 . . . . -1.1(6) ?
N2 C11 N2 C10 . . . . 0E1(10) ?
N1 C11 N2' C12' . . . . -178.1(8) ?
N2 C11 N2' C12' . . . . 0E1(10) ?
C10 N2' C12' C13' . . . . -62.7(19) ?
C11 N2' C12' C13' . . . . 112.6(15) ?
N2' C12' C13' C15' . . . . -86(2) ?
N2' C12' C13' C14' . . . . 94.8(19) ?
C15' C13' C14' C15' . . . 2_657 22(4) ?
C12' C13' C14' C15' . . . 2_657 -159(2) ?
C14' C13' C15' C14' . . . 2_657 -17(3) ?
C12' C13' C15' C14' . . . 2_657 163.9(16) ?
