#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:51:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179350 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/47/4324741.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_4324741
loop_
_publ_author_name
'Joanna M. Hamilton'
'Michael J. Anhorn'
'Karen A. Oscarson'
'Joseph H. Reibenspies'
'Robert D. Hancock'
_publ_section_title
;
 Complexation of Metal Ions, Including Alkali-Earth and Lanthanide(III)
 Ions, in Aqueous Solution by the Ligand 2,2',6',2''-Terpyridyl
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2764
_journal_page_last               2770
_journal_paper_doi               10.1021/ic101742x
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C18 H15 N5 Ni O'
_chemical_formula_weight         376.06
_chemical_name_systematic
; 
 ? 
;
_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                97.355(5)
_cell_angle_beta                 97.100(5)
_cell_angle_gamma                98.606(5)
_cell_formula_units_Z            4
_cell_length_a                   8.644(3)
_cell_length_b                   9.840(3)
_cell_length_c                   20.162(6)
_cell_measurement_temperature    110(2)
_cell_volume                     1663.7(9)
_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      110(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            15699
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.03
_exptl_absorpt_coefficient_mu    1.182
_exptl_absorpt_correction_T_max  0.8909
_exptl_absorpt_correction_T_min  0.6492
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_description       needle
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         5836
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0319
_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)+(0.0300P)²+3.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0900
_reflns_number_gt                5177
_reflns_number_total             5836
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101742x_si_001.cif
_cod_data_source_block           rh49
_cod_original_cell_volume        1663.8(9)
_cod_database_code               4324741
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
Ni1 Ni 0.04544(4) 0.28784(3) 0.736134(16) 0.01441(10) Uani 1 1 d .
Ni2 Ni 0.0000 1.0000 1.0000 0.02075(13) Uani 1 2 d S
Ni3 Ni 0.5000 0.5000 0.5000 0.02025(13) Uani 1 2 d S
O1E O -0.5783(3) 0.7712(3) 0.86876(11) 0.0390(6) Uani 1 1 d .
H1E H -0.4849 0.7644 0.8902 0.058 Uiso 1 1 d R
O1W O 0.4646(3) -0.0405(2) 0.58537(12) 0.0384(6) Uani 1 1 d .
H1W H 0.4982 -0.0894 0.5500 0.058 Uiso 1 1 d R
H2W H 0.4645 0.0435 0.5714 0.058 Uiso 1 1 d R
N1 N 0.2617(3) 0.2167(2) 0.76184(11) 0.0172(5) Uani 1 1 d .
N2 N 0.1002(3) 0.3647(2) 0.83389(11) 0.0160(5) Uani 1 1 d .
N3 N -0.1521(3) 0.3808(2) 0.75368(11) 0.0162(5) Uani 1 1 d .
N4 N -0.0811(2) 0.0861(2) 0.72988(11) 0.0164(5) Uani 1 1 d .
N5 N -0.0005(2) 0.2289(2) 0.63656(11) 0.0157(5) Uani 1 1 d .
N6 N 0.1538(2) 0.4643(2) 0.69991(11) 0.0163(5) Uani 1 1 d .
N7 N 0.1597(3) 0.7871(3) 1.06543(12) 0.0267(6) Uani 1 1 d .
N8 N -0.2887(3) 0.7813(3) 0.95124(14) 0.0320(6) Uani 1 1 d .
N9 N 0.1915(3) 0.4514(3) 0.40599(13) 0.0268(6) Uani 1 1 d .
N10 N 0.4239(3) 0.2140(3) 0.53863(15) 0.0380(7) Uani 1 1 d .
C1 C 0.3331(3) 0.1344(3) 0.72246(14) 0.0203(6) Uani 1 1 d .
H1 H 0.2886 0.1072 0.6763 0.024 Uiso 1 1 calc R
C2 C 0.4695(3) 0.0867(3) 0.74594(15) 0.0231(6) Uani 1 1 d .
H2 H 0.5182 0.0288 0.7164 0.028 Uiso 1 1 calc R
C3 C 0.5332(3) 0.1252(3) 0.81316(15) 0.0251(6) Uani 1 1 d .
H3 H 0.6255 0.0925 0.8309 0.030 Uiso 1 1 calc R
C4 C 0.4613(3) 0.2116(3) 0.85428(15) 0.0226(6) Uani 1 1 d .
H4 H 0.5047 0.2404 0.9005 0.027 Uiso 1 1 calc R
C5 C 0.3251(3) 0.2563(3) 0.82779(14) 0.0183(6) Uani 1 1 d .
C6 C 0.2398(3) 0.3503(3) 0.86711(14) 0.0182(6) Uani 1 1 d .
C7 C 0.2946(3) 0.4238(3) 0.93089(14) 0.0232(6) Uani 1 1 d .
H7 H 0.3914 0.4112 0.9553 0.028 Uiso 1 1 calc R
C8 C 0.2053(3) 0.5161(3) 0.95841(14) 0.0254(6) Uani 1 1 d .
H8 H 0.2423 0.5692 1.0017 0.031 Uiso 1 1 calc R
C9 C 0.0625(3) 0.5318(3) 0.92338(14) 0.0218(6) Uani 1 1 d .
H9 H 0.0013 0.5958 0.9417 0.026 Uiso 1 1 calc R
C10 C 0.0115(3) 0.4512(3) 0.86078(13) 0.0170(6) Uani 1 1 d .
C11 C -0.1384(3) 0.4532(3) 0.81646(13) 0.0174(6) Uani 1 1 d .
C12 C -0.2558(3) 0.5232(3) 0.83717(15) 0.0222(6) Uani 1 1 d .
H12 H -0.2435 0.5734 0.8815 0.027 Uiso 1 1 calc R
C13 C -0.3913(3) 0.5186(3) 0.79200(15) 0.0237(6) Uani 1 1 d .
H13 H -0.4733 0.5660 0.8050 0.028 Uiso 1 1 calc R
C14 C -0.4064(3) 0.4447(3) 0.72802(15) 0.0225(6) Uani 1 1 d .
H14 H -0.4987 0.4404 0.6964 0.027 Uiso 1 1 calc R
C15 C -0.2846(3) 0.3768(3) 0.71060(14) 0.0189(6) Uani 1 1 d .
H15 H -0.2953 0.3256 0.6666 0.023 Uiso 1 1 calc R
C16 C -0.1097(3) 0.0170(3) 0.78117(14) 0.0201(6) Uani 1 1 d .
H16 H -0.0777 0.0639 0.8261 0.024 Uiso 1 1 calc R
C17 C -0.1839(3) -0.1199(3) 0.77157(15) 0.0242(6) Uani 1 1 d .
H17 H -0.2048 -0.1656 0.8091 0.029 Uiso 1 1 calc R
C18 C -0.2270(4) -0.1888(3) 0.70635(15) 0.0282(7) Uani 1 1 d .
H18 H -0.2755 -0.2838 0.6983 0.034 Uiso 1 1 calc R
C19 C -0.1990(3) -0.1182(3) 0.65253(15) 0.0241(6) Uani 1 1 d .
H19 H -0.2291 -0.1638 0.6073 0.029 Uiso 1 1 calc R
C20 C -0.1270(3) 0.0192(3) 0.66572(13) 0.0177(6) Uani 1 1 d .
C21 C -0.0905(3) 0.1049(3) 0.61256(13) 0.0173(6) Uani 1 1 d .
C22 C -0.1407(3) 0.0676(3) 0.54377(14) 0.0210(6) Uani 1 1 d .
H22 H -0.2071 -0.0187 0.5264 0.025 Uiso 1 1 calc R
C23 C -0.0914(3) 0.1598(3) 0.50102(14) 0.0225(6) Uani 1 1 d .
H23 H -0.1245 0.1360 0.4537 0.027 Uiso 1 1 calc R
C24 C 0.0049(3) 0.2853(3) 0.52605(14) 0.0203(6) Uani 1 1 d .
H24 H 0.0412 0.3472 0.4966 0.024 Uiso 1 1 calc R
C25 C 0.0471(3) 0.3185(3) 0.59564(13) 0.0164(6) Uani 1 1 d .
C26 C 0.1419(3) 0.4514(3) 0.63170(13) 0.0170(6) Uani 1 1 d .
C27 C 0.2118(3) 0.5551(3) 0.59943(14) 0.0209(6) Uani 1 1 d .
H27 H 0.2024 0.5432 0.5515 0.025 Uiso 1 1 calc R
C28 C 0.2957(3) 0.6766(3) 0.63781(15) 0.0235(6) Uani 1 1 d .
H28 H 0.3456 0.7488 0.6167 0.028 Uiso 1 1 calc R
C29 C 0.3058(3) 0.6910(3) 0.70733(15) 0.0228(6) Uani 1 1 d .
H29 H 0.3618 0.7736 0.7348 0.027 Uiso 1 1 calc R
C30 C 0.2331(3) 0.5835(3) 0.73630(14) 0.0188(6) Uani 1 1 d .
H30 H 0.2395 0.5944 0.7841 0.023 Uiso 1 1 calc R
C31 C 0.0987(3) 0.8684(3) 1.04067(14) 0.0218(6) Uani 1 1 d .
C32 C -0.1793(4) 0.8653(3) 0.96979(14) 0.0238(6) Uani 1 1 d .
C33 C 0.3109(3) 0.4691(3) 0.44025(14) 0.0218(6) Uani 1 1 d .
C34 C 0.4519(3) 0.3229(3) 0.52405(15) 0.0260(7) Uani 1 1 d .
C35 C -0.6516(4) 0.8662(3) 0.90779(15) 0.0297(7) Uani 1 1 d .
H35B H -0.5791 0.9547 0.9226 0.036 Uiso 1 1 d R
H35A H -0.6649 0.8368 0.9481 0.036 Uiso 1 1 d R
C36 C -0.8006(4) 0.8867(4) 0.86657(16) 0.0330(7) Uani 1 1 d .
H36A H -0.8754 0.8009 0.8535 0.040 Uiso 1 1 d R
H36B H -0.8493 0.9590 0.8914 0.040 Uiso 1 1 d R
H36C H -0.7714 0.9192 0.8273 0.040 Uiso 1 1 d 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
N5 Ni1 N2 174.50(9) . .
N5 Ni1 N4 78.56(9) . .
N2 Ni1 N4 106.92(9) . .
N5 Ni1 N3 101.06(9) . .
N2 Ni1 N3 78.42(9) . .
N4 Ni1 N3 92.92(9) . .
N5 Ni1 N6 78.15(9) . .
N2 Ni1 N6 96.37(9) . .
N4 Ni1 N6 156.71(9) . .
N3 Ni1 N6 91.84(9) . .
N5 Ni1 N1 102.42(9) . .
N2 Ni1 N1 78.30(9) . .
N4 Ni1 N1 90.79(9) . .
N3 Ni1 N1 156.50(9) . .
N6 Ni1 N1 93.87(8) . .
C32 Ni2 C32 180.00(14) 2_577 .
C32 Ni2 C31 90.38(12) 2_577 .
C32 Ni2 C31 89.62(12) . .
C32 Ni2 C31 89.62(12) 2_577 2_577
C32 Ni2 C31 90.38(12) . 2_577
C31 Ni2 C31 180.00(15) . 2_577
C33 Ni3 C33 180.000(1) 2_666 .
C33 Ni3 C34 89.44(12) 2_666 .
C33 Ni3 C34 90.56(12) . .
C33 Ni3 C34 90.56(12) 2_666 2_666
C33 Ni3 C34 89.44(12) . 2_666
C34 Ni3 C34 180.000(1) . 2_666
C1 N1 C5 118.9(2) . .
C1 N1 Ni1 127.68(18) . .
C5 N1 Ni1 113.34(17) . .
C10 N2 C6 121.4(2) . .
C10 N2 Ni1 118.36(17) . .
C6 N2 Ni1 119.02(18) . .
C15 N3 C11 118.4(2) . .
C15 N3 Ni1 127.86(19) . .
C11 N3 Ni1 113.75(17) . .
C16 N4 C20 118.7(2) . .
C16 N4 Ni1 127.15(18) . .
C20 N4 Ni1 113.99(17) . .
C25 N5 C21 121.9(2) . .
C25 N5 Ni1 119.15(18) . .
C21 N5 Ni1 118.68(18) . .
C30 N6 C26 118.0(2) . .
C30 N6 Ni1 127.62(18) . .
C26 N6 Ni1 114.35(17) . .
N1 C1 C2 122.8(3) . .
C3 C2 C1 118.5(3) . .
C4 C3 C2 119.2(3) . .
C3 C4 C5 119.6(3) . .
N1 C5 C4 121.0(3) . .
N1 C5 C6 115.0(2) . .
C4 C5 C6 124.0(2) . .
N2 C6 C7 120.5(3) . .
N2 C6 C5 113.6(2) . .
C7 C6 C5 125.9(2) . .
C6 C7 C8 118.5(3) . .
C9 C8 C7 120.6(3) . .
C8 C9 C10 118.0(3) . .
N2 C10 C9 121.0(2) . .
N2 C10 C11 113.5(2) . .
C9 C10 C11 125.5(2) . .
N3 C11 C12 122.2(2) . .
N3 C11 C10 114.7(2) . .
C12 C11 C10 123.1(2) . .
C13 C12 C11 118.7(3) . .
C14 C13 C12 119.5(3) . .
C13 C14 C15 118.9(3) . .
N3 C15 C14 122.4(3) . .
N4 C16 C17 122.7(3) . .
C18 C17 C16 118.5(3) . .
C17 C18 C19 119.5(3) . .
C20 C19 C18 119.0(3) . .
N4 C20 C19 121.6(3) . .
N4 C20 C21 114.5(2) . .
C19 C20 C21 123.8(2) . .
N5 C21 C22 120.2(2) . .
N5 C21 C20 113.7(2) . .
C22 C21 C20 126.1(2) . .
C21 C22 C23 118.2(3) . .
C24 C23 C22 121.1(3) . .
C23 C24 C25 117.9(3) . .
N5 C25 C24 120.6(2) . .
N5 C25 C26 113.9(2) . .
C24 C25 C26 125.5(2) . .
N6 C26 C27 122.0(2) . .
N6 C26 C25 114.2(2) . .
C27 C26 C25 123.7(2) . .
C26 C27 C28 119.2(3) . .
C29 C28 C27 118.9(3) . .
C30 C29 C28 119.0(3) . .
N6 C30 C29 122.9(3) . .
N7 C31 Ni2 179.7(3) . .
N8 C32 Ni2 179.3(3) . .
N9 C33 Ni3 177.0(3) . .
N10 C34 Ni3 179.3(3) . .
O1E C35 C36 109.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N5 1.990(2) .
Ni1 N2 1.990(2) .
Ni1 N4 2.099(2) .
Ni1 N3 2.101(2) .
Ni1 N6 2.106(2) .
Ni1 N1 2.121(2) .
Ni2 C32 1.865(3) 2_577
Ni2 C32 1.865(3) .
Ni2 C31 1.873(3) .
Ni2 C31 1.873(3) 2_577
Ni3 C33 1.867(3) 2_666
Ni3 C33 1.867(3) .
Ni3 C34 1.869(3) .
Ni3 C34 1.869(3) 2_666
O1E C35 1.417(4) .
N1 C1 1.332(4) .
N1 C5 1.358(3) .
N2 C10 1.337(3) .
N2 C6 1.342(3) .
N3 C15 1.341(3) .
N3 C11 1.353(3) .
N4 C16 1.337(4) .
N4 C20 1.357(3) .
N5 C25 1.338(3) .
N5 C21 1.342(3) .
N6 C30 1.341(3) .
N6 C26 1.354(3) .
N7 C31 1.153(4) .
N8 C32 1.147(4) .
N9 C33 1.146(4) .
N10 C34 1.146(4) .
C1 C2 1.386(4) .
C2 C3 1.380(4) .
C3 C4 1.379(4) .
C4 C5 1.387(4) .
C5 C6 1.480(4) .
C6 C7 1.382(4) .
C7 C8 1.384(4) .
C8 C9 1.384(4) .
C9 C10 1.385(4) .
C10 C11 1.485(4) .
C11 C12 1.385(4) .
C12 C13 1.383(4) .
C13 C14 1.378(4) .
C14 C15 1.386(4) .
C16 C17 1.381(4) .
C17 C18 1.379(4) .
C18 C19 1.388(4) .
C19 C20 1.379(4) .
C20 C21 1.481(4) .
C21 C22 1.386(4) .
C22 C23 1.386(4) .
C23 C24 1.380(4) .
C24 C25 1.389(4) .
C25 C26 1.483(4) .
C26 C27 1.383(4) .
C27 C28 1.385(4) .
C28 C29 1.381(4) .
C29 C30 1.380(4) .
C35 C36 1.499(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
_geom_torsion_site_symmetry_1
N5 Ni1 N1 C1 -9.5(2) .
N2 Ni1 N1 C1 176.0(2) .
N4 Ni1 N1 C1 68.9(2) .
N3 Ni1 N1 C1 168.1(2) .
N6 Ni1 N1 C1 -88.2(2) .
N5 Ni1 N1 C5 174.55(18) .
N2 Ni1 N1 C5 0.13(18) .
N4 Ni1 N1 C5 -106.99(18) .
N3 Ni1 N1 C5 -7.8(3) .
N6 Ni1 N1 C5 95.85(18) .
N5 Ni1 N2 C10 74.7(10) .
N4 Ni1 N2 C10 -99.9(2) .
N3 Ni1 N2 C10 -10.40(19) .
N6 Ni1 N2 C10 80.2(2) .
N1 Ni1 N2 C10 172.8(2) .
N5 Ni1 N2 C6 -92.6(9) .
N4 Ni1 N2 C6 92.7(2) .
N3 Ni1 N2 C6 -177.7(2) .
N6 Ni1 N2 C6 -87.1(2) .
N1 Ni1 N2 C6 5.51(19) .
N5 Ni1 N3 C15 10.7(2) .
N2 Ni1 N3 C15 -174.9(2) .
N4 Ni1 N3 C15 -68.2(2) .
N6 Ni1 N3 C15 89.0(2) .
N1 Ni1 N3 C15 -166.9(2) .
N5 Ni1 N3 C11 -168.76(18) .
N2 Ni1 N3 C11 5.65(18) .
N4 Ni1 N3 C11 112.33(18) .
N6 Ni1 N3 C11 -90.48(18) .
N1 Ni1 N3 C11 13.6(3) .
N5 Ni1 N4 C16 175.7(2) .
N2 Ni1 N4 C16 -4.8(2) .
N3 Ni1 N4 C16 -83.6(2) .
N6 Ni1 N4 C16 174.9(2) .
N1 Ni1 N4 C16 73.2(2) .
N5 Ni1 N4 C20 0.66(18) .
N2 Ni1 N4 C20 -179.86(17) .
N3 Ni1 N4 C20 101.36(18) .
N6 Ni1 N4 C20 -0.2(3) .
N1 Ni1 N4 C20 -101.86(18) .
N2 Ni1 N5 C25 3.4(10) .
N4 Ni1 N5 C25 178.2(2) .
N3 Ni1 N5 C25 87.4(2) .
N6 Ni1 N5 C25 -2.15(18) .
N1 Ni1 N5 C25 -93.54(19) .
N2 Ni1 N5 C21 -170.8(8) .
N4 Ni1 N5 C21 4.04(19) .
N3 Ni1 N5 C21 -86.7(2) .
N6 Ni1 N5 C21 -176.3(2) .
N1 Ni1 N5 C21 92.3(2) .
N5 Ni1 N6 C30 -179.7(2) .
N2 Ni1 N6 C30 0.9(2) .
N4 Ni1 N6 C30 -178.8(2) .
N3 Ni1 N6 C30 79.4(2) .
N1 Ni1 N6 C30 -77.8(2) .
N5 Ni1 N6 C26 -0.79(17) .
N2 Ni1 N6 C26 179.74(18) .
N4 Ni1 N6 C26 0.0(3) .
N3 Ni1 N6 C26 -101.71(18) .
N1 Ni1 N6 C26 101.10(18) .
C5 N1 C1 C2 0.2(4) .
Ni1 N1 C1 C2 -175.5(2) .
N1 C1 C2 C3 0.6(4) .
C1 C2 C3 C4 -1.3(4) .
C2 C3 C4 C5 1.1(4) .
C1 N1 C5 C4 -0.3(4) .
Ni1 N1 C5 C4 176.0(2) .
C1 N1 C5 C6 178.7(2) .
Ni1 N1 C5 C6 -5.1(3) .
C3 C4 C5 N1 -0.3(4) .
C3 C4 C5 C6 -179.2(3) .
C10 N2 C6 C7 0.9(4) .
Ni1 N2 C6 C7 167.8(2) .
C10 N2 C6 C5 -176.6(2) .
Ni1 N2 C6 C5 -9.7(3) .
N1 C5 C6 N2 9.5(3) .
C4 C5 C6 N2 -171.6(3) .
N1 C5 C6 C7 -167.9(3) .
C4 C5 C6 C7 11.0(4) .
N2 C6 C7 C8 -2.5(4) .
C5 C6 C7 C8 174.8(3) .
C6 C7 C8 C9 1.5(4) .
C7 C8 C9 C10 0.8(4) .
C6 N2 C10 C9 1.6(4) .
Ni1 N2 C10 C9 -165.4(2) .
C6 N2 C10 C11 179.9(2) .
Ni1 N2 C10 C11 12.9(3) .
C8 C9 C10 N2 -2.4(4) .
C8 C9 C10 C11 179.5(3) .
C15 N3 C11 C12 -0.4(4) .
Ni1 N3 C11 C12 179.2(2) .
C15 N3 C11 C10 179.6(2) .
Ni1 N3 C11 C10 -0.8(3) .
N2 C10 C11 N3 -7.5(3) .
C9 C10 C11 N3 170.8(3) .
N2 C10 C11 C12 172.6(2) .
C9 C10 C11 C12 -9.2(4) .
N3 C11 C12 C13 0.0(4) .
C10 C11 C12 C13 -180.0(2) .
C11 C12 C13 C14 0.2(4) .
C12 C13 C14 C15 -0.1(4) .
C11 N3 C15 C14 0.5(4) .
Ni1 N3 C15 C14 -179.0(2) .
C13 C14 C15 N3 -0.3(4) .
C20 N4 C16 C17 0.1(4) .
Ni1 N4 C16 C17 -174.8(2) .
N4 C16 C17 C18 1.5(4) .
C16 C17 C18 C19 -1.8(4) .
C17 C18 C19 C20 0.7(4) .
C16 N4 C20 C19 -1.3(4) .
Ni1 N4 C20 C19 174.3(2) .
C16 N4 C20 C21 179.8(2) .
Ni1 N4 C20 C21 -4.7(3) .
C18 C19 C20 N4 0.9(4) .
C18 C19 C20 C21 179.7(3) .
C25 N5 C21 C22 -1.8(4) .
Ni1 N5 C21 C22 172.17(19) .
C25 N5 C21 C20 178.4(2) .
Ni1 N5 C21 C20 -7.6(3) .
N4 C20 C21 N5 7.9(3) .
C19 C20 C21 N5 -171.0(3) .
N4 C20 C21 C22 -171.9(3) .
C19 C20 C21 C22 9.2(4) .
N5 C21 C22 C23 2.0(4) .
C20 C21 C22 C23 -178.3(3) .
C21 C22 C23 C24 -0.1(4) .
C22 C23 C24 C25 -1.9(4) .
C21 N5 C25 C24 -0.3(4) .
Ni1 N5 C25 C24 -174.23(19) .
C21 N5 C25 C26 178.4(2) .
Ni1 N5 C25 C26 4.5(3) .
C23 C24 C25 N5 2.1(4) .
C23 C24 C25 C26 -176.4(3) .
C30 N6 C26 C27 1.7(4) .
Ni1 N6 C26 C27 -177.3(2) .
C30 N6 C26 C25 -177.8(2) .
Ni1 N6 C26 C25 3.2(3) .
N5 C25 C26 N6 -4.9(3) .
C24 C25 C26 N6 173.7(2) .
N5 C25 C26 C27 175.6(2) .
C24 C25 C26 C27 -5.8(4) .
N6 C26 C27 C28 -0.5(4) .
C25 C26 C27 C28 178.9(2) .
C26 C27 C28 C29 -0.6(4) .
C27 C28 C29 C30 0.6(4) .
C26 N6 C30 C29 -1.7(4) .
Ni1 N6 C30 C29 177.1(2) .
C28 C29 C30 N6 0.6(4) .
C32 Ni2 C31 N7 -95(100) 2_577
C32 Ni2 C31 N7 85(100) .
C31 Ni2 C31 N7 172(100) 2_577
C32 Ni2 C32 N8 -159(100) 2_577
C31 Ni2 C32 N8 -24(21) .
C31 Ni2 C32 N8 156(100) 2_577
C33 Ni3 C33 N9 -45(100) 2_666
C34 Ni3 C33 N9 80(5) .
C34 Ni3 C33 N9 -100(5) 2_666
C33 Ni3 C34 N10 -56(26) 2_666
C33 Ni3 C34 N10 124(26) .
C34 Ni3 C34 N10 -176(100) 2_666
