#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/21/1502165.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_1502165
loop_
_publ_author_name
'White, James D.'
'Shaw, Subrata'
_publ_section_title
;
 cis-2,5-Diaminobicyclo[2.2.2]octane, a new scaffold for asymmetric
 catalysis via salen-metal complexes.
;
_journal_issue                   9
_journal_name_full               'Organic letters'
_journal_page_first              2488
_journal_page_last               2491
_journal_paper_doi               10.1021/ol2007378
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C38 H54 N2 Ni O2'
_chemical_formula_weight         629.54
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXLTL
_cell_angle_alpha                90.00
_cell_angle_beta                 107.415(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.768(3)
_cell_length_b                   20.434(3)
_cell_length_c                   11.1052(18)
_cell_measurement_reflns_used    2887
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.27
_cell_measurement_theta_min      2.20
_cell_volume                     3630.6(10)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector Bruker Apex'
_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  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0527
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17667
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.567
_exptl_absorpt_correction_T_max  0.9777
_exptl_absorpt_correction_T_min  0.7845
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.481
_refine_diff_density_min         -0.229
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3959
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0487
_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)+(0.0526P)²+1.6274P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1161
_reflns_number_gt                3235
_reflns_number_total             3959
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol2007378_si_005.cif
_cod_data_source_block           jw31
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3630.7(10)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1502165
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.0000 0.493940(18) 0.2500 0.01834(13) Uani 1 2 d S . .
O1 O 0.05865(10) 0.42512(7) 0.20625(16) 0.0251(4) Uani 1 1 d . . .
N1 N 0.03552(11) 0.55545(9) 0.14933(18) 0.0204(4) Uani 1 1 d . . .
C1 C 0.09044(14) 0.54213(11) 0.0918(2) 0.0219(5) Uani 1 1 d . . .
H1A H 0.0978 0.5743 0.0342 0.026 Uiso 1 1 calc R . .
C2 C 0.14123(14) 0.48483(11) 0.1047(2) 0.0222(5) Uani 1 1 d . . .
C3 C 0.12532(13) 0.42882(11) 0.1672(2) 0.0213(5) Uani 1 1 d . . .
C4 C 0.18283(14) 0.37534(11) 0.1853(2) 0.0234(5) Uani 1 1 d . . .
C5 C 0.25049(14) 0.38234(11) 0.1384(2) 0.0256(5) Uani 1 1 d . . .
H5A H 0.2895 0.3474 0.1524 0.031 Uiso 1 1 calc R . .
C6 C 0.26559(14) 0.43724(11) 0.0720(2) 0.0254(5) Uani 1 1 d . A .
C7 C 0.20964(14) 0.48776(11) 0.0557(2) 0.0246(5) Uani 1 1 d . . .
H7A H 0.2171 0.5256 0.0104 0.029 Uiso 1 1 calc R . .
C8 C 0.16960(15) 0.31287(11) 0.2542(2) 0.0258(5) Uani 1 1 d . . .
C9 C 0.24142(16) 0.26393(13) 0.2705(3) 0.0384(7) Uani 1 1 d . . .
H9A H 0.2463 0.2521 0.1875 0.058 Uiso 1 1 calc R . .
H9B H 0.2301 0.2245 0.3130 0.058 Uiso 1 1 calc R . .
H9C H 0.2938 0.2839 0.3215 0.058 Uiso 1 1 calc R . .
C10 C 0.16439(18) 0.32989(13) 0.3866(3) 0.0366(6) Uani 1 1 d . . .
H10A H 0.2162 0.3515 0.4352 0.055 Uiso 1 1 calc R . .
H10B H 0.1567 0.2897 0.4299 0.055 Uiso 1 1 calc R . .
H10C H 0.1170 0.3593 0.3790 0.055 Uiso 1 1 calc R . .
C11 C 0.08867(15) 0.27876(12) 0.1787(3) 0.0312(6) Uani 1 1 d . . .
H11A H 0.0919 0.2679 0.0943 0.047 Uiso 1 1 calc R . .
H11B H 0.0411 0.3080 0.1712 0.047 Uiso 1 1 calc R . .
H11C H 0.0813 0.2385 0.2222 0.047 Uiso 1 1 calc R . .
C12 C 0.33994(15) 0.44020(13) 0.0185(3) 0.0335(6) Uani 1 1 d D . .
C13 C 0.3441(4) 0.5036(3) -0.0501(6) 0.0392(13) Uani 0.50 1 d PD A 1
H13A H 0.3091 0.5001 -0.1380 0.059 Uiso 0.50 1 calc PR A 1
H13B H 0.4021 0.5121 -0.0479 0.059 Uiso 0.50 1 calc PR A 1
H13C H 0.3240 0.5397 -0.0089 0.059 Uiso 0.50 1 calc PR A 1
C14 C 0.4199(3) 0.4319(3) 0.1293(7) 0.0488(16) Uani 0.50 1 d PD A 1
H14A H 0.4277 0.3856 0.1526 0.073 Uiso 0.50 1 calc PR A 1
H14B H 0.4152 0.4574 0.2017 0.073 Uiso 0.50 1 calc PR A 1
H14C H 0.4680 0.4475 0.1045 0.073 Uiso 0.50 1 calc PR A 1
C15 C 0.3319(4) 0.3819(3) -0.0741(7) 0.0558(19) Uani 0.50 1 d PD A 1
H15A H 0.2876 0.3524 -0.0664 0.084 Uiso 0.50 1 calc PR A 1
H15B H 0.3850 0.3581 -0.0535 0.084 Uiso 0.50 1 calc PR A 1
H15C H 0.3179 0.3985 -0.1607 0.084 Uiso 0.50 1 calc PR A 1
C13A C 0.3891(5) 0.5040(3) 0.0646(11) 0.078(3) Uani 0.50 1 d PD A 2
H13D H 0.4110 0.5035 0.1569 0.117 Uiso 0.50 1 calc PR A 2
H13E H 0.3518 0.5417 0.0377 0.117 Uiso 0.50 1 calc PR A 2
H13F H 0.4356 0.5074 0.0285 0.117 Uiso 0.50 1 calc PR A 2
C14A C 0.3062(5) 0.4409(6) -0.1253(7) 0.093(3) Uani 0.50 1 d PD A 2
H14D H 0.2755 0.4003 -0.1547 0.139 Uiso 0.50 1 calc PR A 2
H14E H 0.3528 0.4446 -0.1610 0.139 Uiso 0.50 1 calc PR A 2
H14F H 0.2686 0.4784 -0.1525 0.139 Uiso 0.50 1 calc PR A 2
C15A C 0.4014(4) 0.3849(4) 0.0594(8) 0.0573(19) Uani 0.50 1 d PD A 2
H15D H 0.3732 0.3433 0.0303 0.086 Uiso 0.50 1 calc PR A 2
H15E H 0.4236 0.3845 0.1517 0.086 Uiso 0.50 1 calc PR A 2
H15F H 0.4474 0.3909 0.0230 0.086 Uiso 0.50 1 calc PR A 2
C16 C 0.00641(13) 0.62502(10) 0.1286(2) 0.0217(5) Uani 1 1 d . . .
H16A H 0.0059 0.6389 0.0420 0.026 Uiso 1 1 calc R . .
C17 C 0.07064(14) 0.66664(11) 0.2262(2) 0.0242(5) Uani 1 1 d . . .
H17A H 0.1254 0.6665 0.2075 0.029 Uiso 1 1 calc R . .
C18 C 0.03740(15) 0.73678(11) 0.2227(3) 0.0318(6) Uani 1 1 d . . .
H18A H 0.0193 0.7531 0.1347 0.038 Uiso 1 1 calc R . .
H18B H 0.0820 0.7660 0.2734 0.038 Uiso 1 1 calc R . .
C19 C 0.08072(13) 0.63700(11) 0.3562(2) 0.0240(5) Uani 1 1 d . . .
H19A H 0.1129 0.6672 0.4228 0.029 Uiso 1 1 calc R . .
H19B H 0.1117 0.5952 0.3648 0.029 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'
O O 0.0106 0.0060 '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'
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
O1 Ni1 O1 81.90(9) 2 .
O1 Ni1 N1 160.01(8) 2 .
O1 Ni1 N1 93.63(7) . .
O1 Ni1 N1 93.63(7) 2 2
O1 Ni1 N1 160.01(8) . 2
N1 Ni1 N1 96.78(11) . 2
C3 O1 Ni1 127.54(14) . .
C1 N1 C16 111.73(18) . .
C1 N1 Ni1 123.15(15) . .
C16 N1 Ni1 125.10(14) . .
N1 C1 C2 127.7(2) . .
N1 C1 H1A 116.1 . .
C2 C1 H1A 116.1 . .
C3 C2 C7 121.4(2) . .
C3 C2 C1 121.4(2) . .
C7 C2 C1 117.1(2) . .
O1 C3 C2 121.0(2) . .
O1 C3 C4 120.8(2) . .
C2 C3 C4 118.2(2) . .
C5 C4 C3 117.4(2) . .
C5 C4 C8 121.8(2) . .
C3 C4 C8 120.79(19) . .
C4 C5 C6 125.0(2) . .
C4 C5 H5A 117.5 . .
C6 C5 H5A 117.5 . .
C7 C6 C5 116.5(2) . .
C7 C6 C12 121.5(2) . .
C5 C6 C12 122.0(2) . .
C6 C7 C2 121.4(2) . .
C6 C7 H7A 119.3 . .
C2 C7 H7A 119.3 . .
C11 C8 C9 107.7(2) . .
C11 C8 C4 109.9(2) . .
C9 C8 C4 112.00(19) . .
C11 C8 C10 109.4(2) . .
C9 C8 C10 107.6(2) . .
C4 C8 C10 110.25(19) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C13 C12 C15A 131.6(4) . .
C13 C12 C14A 61.6(5) . .
C15A C12 C14A 109.3(5) . .
C13 C12 C14 109.7(4) . .
C15A C12 C14 47.1(4) . .
C14A C12 C14 143.3(4) . .
C13 C12 C6 113.2(3) . .
C15A C12 C6 114.5(3) . .
C14A C12 C6 108.4(3) . .
C14 C12 C6 107.5(3) . .
C13 C12 C15 109.3(4) . .
C15A C12 C15 62.6(4) . .
C14A C12 C15 51.9(5) . .
C14 C12 C15 109.2(4) . .
C6 C12 C15 107.9(3) . .
C13 C12 C13A 49.1(4) . .
C15A C12 C13A 106.5(5) . .
C14A C12 C13A 109.4(6) . .
C14 C12 C13A 64.9(5) . .
C6 C12 C13A 108.6(3) . .
C15 C12 C13A 143.0(4) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C12 C13A H13D 109.5 . .
C12 C13A H13E 109.5 . .
H13D C13A H13E 109.5 . .
C12 C13A H13F 109.5 . .
H13D C13A H13F 109.5 . .
H13E C13A H13F 109.5 . .
C12 C14A H14D 109.5 . .
C12 C14A H14E 109.5 . .
H14D C14A H14E 109.5 . .
C12 C14A H14F 109.5 . .
H14D C14A H14F 109.5 . .
H14E C14A H14F 109.5 . .
C12 C15A H15D 109.5 . .
C12 C15A H15E 109.5 . .
H15D C15A H15E 109.5 . .
C12 C15A H15F 109.5 . .
H15D C15A H15F 109.5 . .
H15E C15A H15F 109.5 . .
N1 C16 C17 106.84(18) . .
N1 C16 C19 114.23(17) . 2
C17 C16 C19 108.84(18) . 2
N1 C16 H16A 108.9 . .
C17 C16 H16A 108.9 . .
C19 C16 H16A 108.9 2 .
C19 C17 C16 107.63(18) . .
C19 C17 C18 109.3(2) . .
C16 C17 C18 109.1(2) . .
C19 C17 H17A 110.3 . .
C16 C17 H17A 110.3 . .
C18 C17 H17A 110.3 . .
C17 C18 C18 108.73(13) . 2
C17 C18 H18A 109.9 . .
C18 C18 H18A 109.9 2 .
C17 C18 H18B 109.9 . .
C18 C18 H18B 109.9 2 .
H18A C18 H18B 108.3 . .
C17 C19 C16 109.05(19) . 2
C17 C19 H19A 109.9 . .
C16 C19 H19A 109.9 2 .
C17 C19 H19B 109.9 . .
C16 C19 H19B 109.9 2 .
H19A C19 H19B 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 1.8620(15) 2
Ni1 O1 1.8620(15) .
Ni1 N1 1.8929(18) .
Ni1 N1 1.8929(18) 2
O1 C3 1.317(3) .
N1 C1 1.297(3) .
N1 C16 1.498(3) .
C1 C2 1.430(3) .
C1 H1A 0.9500 .
C2 C3 1.405(3) .
C2 C7 1.410(3) .
C3 C4 1.431(3) .
C4 C5 1.390(3) .
C4 C8 1.539(3) .
C5 C6 1.407(3) .
C5 H5A 0.9500 .
C6 C7 1.370(3) .
C6 C12 1.535(3) .
C7 H7A 0.9500 .
C8 C11 1.533(3) .
C8 C9 1.534(3) .
C8 C10 1.538(3) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 C13 1.515(6) .
C12 C15A 1.505(6) .
C12 C14A 1.526(7) .
C12 C14 1.535(6) .
C12 C15 1.552(6) .
C12 C13A 1.546(7) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C13A H13D 0.9800 .
C13A H13E 0.9800 .
C13A H13F 0.9800 .
C14A H14D 0.9800 .
C14A H14E 0.9800 .
C14A H14F 0.9800 .
C15A H15D 0.9800 .
C15A H15E 0.9800 .
C15A H15F 0.9800 .
C16 C17 1.536(3) .
C16 C19 1.540(3) 2
C16 H16A 1.0000 .
C17 C19 1.528(3) .
C17 C18 1.534(3) .
C17 H17A 1.0000 .
C18 C18 1.548(5) 2
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C16 1.540(3) 2
C19 H19A 0.9900 .
C19 H19B 0.9900 .
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_4
O1 Ni1 O1 C3 -175.0(2) 2 .
N1 Ni1 O1 C3 24.6(2) . .
N1 Ni1 O1 C3 -96.8(3) 2 .
O1 Ni1 N1 C1 -82.9(3) 2 .
O1 Ni1 N1 C1 -6.67(19) . .
N1 Ni1 N1 C1 156.2(2) 2 .
O1 Ni1 N1 C16 98.9(2) 2 .
O1 Ni1 N1 C16 175.04(17) . .
N1 Ni1 N1 C16 -22.05(14) 2 .
C16 N1 C1 C2 169.7(2) . .
Ni1 N1 C1 C2 -8.8(3) . .
N1 C1 C2 C3 12.4(4) . .
N1 C1 C2 C7 -165.5(2) . .
Ni1 O1 C3 C2 -26.7(3) . .
Ni1 O1 C3 C4 154.40(17) . .
C7 C2 C3 O1 -176.1(2) . .
C1 C2 C3 O1 6.0(4) . .
C7 C2 C3 C4 2.8(3) . .
C1 C2 C3 C4 -175.0(2) . .
O1 C3 C4 C5 178.4(2) . .
C2 C3 C4 C5 -0.6(3) . .
O1 C3 C4 C8 -1.8(3) . .
C2 C3 C4 C8 179.3(2) . .
C3 C4 C5 C6 -1.7(4) . .
C8 C4 C5 C6 178.5(2) . .
C4 C5 C6 C7 1.6(4) . .
C4 C5 C6 C12 -177.5(2) . .
C5 C6 C7 C2 0.8(4) . .
C12 C6 C7 C2 179.8(2) . .
C3 C2 C7 C6 -3.0(4) . .
C1 C2 C7 C6 174.9(2) . .
C5 C4 C8 C11 -116.0(2) . .
C3 C4 C8 C11 64.1(3) . .
C5 C4 C8 C9 3.6(3) . .
C3 C4 C8 C9 -176.3(2) . .
C5 C4 C8 C10 123.3(2) . .
C3 C4 C8 C10 -56.6(3) . .
C7 C6 C12 C13 0.8(4) . .
C5 C6 C12 C13 179.7(4) . .
C7 C6 C12 C15A 172.2(4) . .
C5 C6 C12 C15A -8.8(5) . .
C7 C6 C12 C14A -65.5(6) . .
C5 C6 C12 C14A 113.5(5) . .
C7 C6 C12 C14 122.0(4) . .
C5 C6 C12 C14 -59.0(4) . .
C7 C6 C12 C15 -120.3(4) . .
C5 C6 C12 C15 58.6(4) . .
C7 C6 C12 C13A 53.3(5) . .
C5 C6 C12 C13A -127.7(5) . .
C1 N1 C16 C17 -83.9(2) . .
Ni1 N1 C16 C17 94.60(19) . .
C1 N1 C16 C19 155.7(2) . 2
Ni1 N1 C16 C19 -25.8(3) . 2
N1 C16 C17 C19 -53.1(2) . .
C19 C16 C17 C19 70.7(2) 2 .
N1 C16 C17 C18 -171.59(18) . .
C19 C16 C17 C18 -47.8(2) 2 .
C19 C17 C18 C18 -47.6(3) . 2
C16 C17 C18 C18 69.9(3) . 2
C16 C17 C19 C16 -48.4(2) . 2
C18 C17 C19 C16 69.9(2) . 2
