#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:43:21 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179074 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/36/4303635.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_4303635
loop_
_publ_author_name
'Asamanjoy Bhunia'
'Peter W. Roesky'
'Yanhua Lan'
'George E. Kostakis'
'Annie K. Powell'
_publ_section_title
;
Salen-Based Infinite Coordination Polymers of Nickel and Copper
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10483
_journal_page_last               10485
_journal_paper_doi               10.1021/ic9017097
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C20 H19 Li N2 Ni O7 S'
_chemical_formula_weight         497.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_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                 111.16(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.234(3)
_cell_length_b                   8.1754(16)
_cell_length_c                   16.328(3)
_cell_measurement_reflns_used    11075
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.27
_cell_measurement_theta_min      7.02
_cell_volume                     2020.9(8)
_computing_cell_refinement       'STOE X-AREA, PLATON (A.L.Spek, 2005)'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED, PLATON (A.L.Spek, 2005)'
_computing_molecular_graphics    'Diamond 2.1e/3'
_computing_publication_material  'X-STEP32, Microsoft Word'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'area detector'
_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  0.0598
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15178
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_T_max  0.9166
_exptl_absorpt_correction_T_min  0.8086
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   'STOE X-RED & X-SHAPE'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.157
_exptl_crystal_size_mid          0.148
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4124
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.000
_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+1.4181P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.1000
_reflns_number_gt                3390
_reflns_number_total             4124
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9017097_si_002_3.cif
_cod_data_source_block           3
_cod_original_cell_volume        2020.9(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4303635
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4048(2) -0.9465(3) -0.31155(19) 0.0254(6) Uani 1 1 d . . .
C2 C 0.4177(2) -0.9403(4) -0.22206(19) 0.0277(6) Uani 1 1 d . . .
H2 H 0.4634 -0.8732 -0.1841 0.033 Uiso 1 1 calc R . .
C3 C 0.3654(2) -1.0298(4) -0.1878(2) 0.0311(7) Uani 1 1 d . . .
C4 C 0.2970(2) -1.1291(4) -0.2428(2) 0.0397(8) Uani 1 1 d . . .
H4 H 0.2623 -1.1934 -0.2189 0.048 Uiso 1 1 calc R . .
C5 C 0.2808(2) -1.1320(4) -0.3318(2) 0.0405(8) Uani 1 1 d . . .
H5 H 0.2338 -1.1970 -0.3693 0.049 Uiso 1 1 calc R . .
C6 C 0.3329(2) -1.0400(4) -0.3679(2) 0.0311(7) Uani 1 1 d . . .
C7 C 0.3101(2) -1.0401(4) -0.4615(2) 0.0302(7) Uani 1 1 d . . .
H7 H 0.2614 -1.1060 -0.4950 0.036 Uiso 1 1 calc R . .
C8 C 0.3115(2) -0.9631(3) -0.60125(19) 0.0289(6) Uani 1 1 d . . .
H8A H 0.2504 -0.9197 -0.6217 0.035 Uiso 1 1 calc R . .
H8B H 0.3090 -1.0776 -0.6217 0.035 Uiso 1 1 calc R . .
C9 C 0.3665(2) -0.8625(4) -0.63932(19) 0.0310(7) Uani 1 1 d . . .
H9A H 0.3875 -0.9323 -0.6774 0.037 Uiso 1 1 calc R . .
H9B H 0.3300 -0.7737 -0.6759 0.037 Uiso 1 1 calc R . .
C10 C 0.49450(19) -0.6955(3) -0.59131(18) 0.0253(6) Uani 1 1 d . . .
H10 H 0.4787 -0.6738 -0.6522 0.030 Uiso 1 1 calc R . .
C11 C 0.57335(19) -0.6193(3) -0.53236(17) 0.0229(6) Uani 1 1 d . . .
C12 C 0.6228(2) -0.5206(3) -0.56889(18) 0.0269(6) Uani 1 1 d . . .
H12 H 0.6019 -0.5043 -0.6306 0.032 Uiso 1 1 calc R . .
C13 C 0.7005(2) -0.4477(4) -0.51711(18) 0.0260(6) Uani 1 1 d . . .
H13 H 0.7330 -0.3824 -0.5430 0.031 Uiso 1 1 calc R . .
C14 C 0.73159(18) -0.4705(3) -0.42571(17) 0.0226(6) Uani 1 1 d . . .
C15 C 0.68263(19) -0.5643(3) -0.38847(17) 0.0232(6) Uani 1 1 d . . .
H15 H 0.7038 -0.5785 -0.3266 0.028 Uiso 1 1 calc R . .
C16 C 0.60277(18) -0.6385(3) -0.44017(17) 0.0218(5) Uani 1 1 d . . .
C17 C 0.3840(2) -1.0179(4) -0.0915(2) 0.0314(7) Uani 1 1 d . . .
C18 C 0.81631(19) -0.3894(3) -0.36763(18) 0.0226(6) Uani 1 1 d . . .
C19 C 1.0366(4) 0.0121(6) -0.3725(4) 0.0740(14) Uani 1 1 d . . .
H19A H 1.0828 0.0472 -0.3177 0.111 Uiso 1 1 calc R . .
H19B H 1.0376 0.0825 -0.4207 0.111 Uiso 1 1 calc R . .
H19C H 1.0473 -0.1015 -0.3850 0.111 Uiso 1 1 calc R . .
C20 C 0.9265(3) 0.2431(4) -0.3538(3) 0.0491(10) Uani 1 1 d . . .
H20A H 0.8742 0.2724 -0.3405 0.074 Uiso 1 1 calc R . .
H20B H 0.9224 0.2929 -0.4098 0.074 Uiso 1 1 calc R . .
H20C H 0.9796 0.2832 -0.3070 0.074 Uiso 1 1 calc R . .
N1 N 0.34979(16) -0.9585(3) -0.50423(15) 0.0258(5) Uani 1 1 d . . .
N2 N 0.44350(16) -0.7909(3) -0.56822(15) 0.0232(5) Uani 1 1 d . . .
O1 O 0.46017(14) -0.8670(2) -0.33965(13) 0.0288(5) Uani 1 1 d . . .
O2 O 0.55765(14) -0.7239(2) -0.40138(12) 0.0259(4) Uani 1 1 d . . .
O3 O 0.40544(18) -0.8902(3) -0.05101(15) 0.0422(6) Uani 1 1 d . . .
O4 O 0.37265(16) -1.1578(3) -0.05681(15) 0.0356(5) Uani 1 1 d . . .
H21 H 0.375(3) -1.147(5) -0.005(3) 0.060(13) Uiso 1 1 d . . .
O5 O 0.82723(14) -0.3688(2) -0.28807(12) 0.0291(5) Uani 1 1 d . . .
O6 O 0.87173(14) -0.3441(3) -0.40103(14) 0.0321(5) Uani 1 1 d . . .
O7 O 0.94558(17) -0.0353(3) -0.27109(13) 0.0363(5) Uani 1 1 d . . .
Li Li 0.9305(3) -0.2418(6) -0.2240(3) 0.0259(10) Uani 1 1 d . . .
S1 S 0.93244(6) 0.02697(9) -0.36164(5) 0.0340(2) Uani 1 1 d . . .
Ni1 Ni 0.45177(2) -0.83591(4) -0.45513(2) 0.02231(11) Uani 1 1 d . . .
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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
O1 C1 C2 118.7(3) . . ?
O1 C1 C6 122.9(3) . . ?
C2 C1 C6 118.3(3) . . ?
C3 C2 C1 121.4(3) . . ?
C2 C3 C4 120.4(3) . . ?
C2 C3 C17 118.2(3) . . ?
C4 C3 C17 121.4(3) . . ?
C5 C4 C3 119.2(3) . . ?
C4 C5 C6 121.1(3) . . ?
C5 C6 C1 119.5(3) . . ?
C5 C6 C7 118.7(3) . . ?
C1 C6 C7 121.7(3) . . ?
N1 C7 C6 125.9(3) . . ?
N1 C8 C9 110.2(2) . . ?
N2 C9 C8 110.5(2) . . ?
N2 C10 C11 125.3(3) . . ?
C12 C11 C16 119.2(2) . . ?
C12 C11 C10 118.0(2) . . ?
C16 C11 C10 122.8(3) . . ?
C13 C12 C11 121.5(3) . . ?
C12 C13 C14 119.6(3) . . ?
C15 C14 C13 119.6(3) . . ?
C15 C14 C18 120.0(2) . . ?
C13 C14 C18 120.3(3) . . ?
C14 C15 C16 121.6(2) . . ?
O2 C16 C15 119.3(2) . . ?
O2 C16 C11 122.3(2) . . ?
C15 C16 C11 118.4(3) . . ?
O3 C17 O4 124.6(3) . . ?
O3 C17 C3 122.5(3) . . ?
O4 C17 C3 112.9(3) . . ?
O5 C18 O6 123.3(3) . . ?
O5 C18 C14 117.6(3) . . ?
O6 C18 C14 119.0(2) . . ?
O5 C18 Li 40.93(17) . . ?
O6 C18 Li 82.57(19) . . ?
C14 C18 Li 157.9(2) . . ?
C7 N1 C8 117.8(2) . . ?
C7 N1 Ni1 126.0(2) . . ?
C8 N1 Ni1 116.2(2) . . ?
C10 N2 C9 117.3(2) . . ?
C10 N2 Ni1 126.34(19) . . ?
C9 N2 Ni1 116.22(19) . . ?
C1 O1 Ni1 127.64(18) . . ?
C1 O1 Li 131.6(2) . 2_644 ?
Ni1 O1 Li 100.67(18) . 2_644 ?
C16 O2 Ni1 127.44(17) . . ?
C16 O2 Li 131.7(2) . 2_644 ?
Ni1 O2 Li 100.25(18) . 2_644 ?
C18 O5 Li 113.8(2) . . ?
S1 O7 Li 134.6(2) . . ?
O7 Li O5 118.1(2) . . ?
O7 Li O1 116.5(3) . 2_654 ?
O5 Li O1 116.4(2) . 2_654 ?
O7 Li O2 111.7(2) . 2_654 ?
O5 Li O2 109.8(3) . 2_654 ?
O1 Li O2 76.33(18) 2_654 2_654 ?
O7 Li C18 101.2(2) . . ?
O5 Li C18 25.29(11) . . ?
O1 Li C18 115.4(2) 2_654 . ?
O2 Li C18 135.1(2) 2_654 . ?
O7 Li Ni1 119.8(2) . 2_654 ?
O5 Li Ni1 121.4(2) . 2_654 ?
O1 Li Ni1 38.09(10) 2_654 2_654 ?
O2 Li Ni1 38.29(10) 2_654 2_654 ?
C18 Li Ni1 137.72(18) . 2_654 ?
O7 S1 C19 105.9(2) . . ?
O7 S1 C20 104.97(16) . . ?
C19 S1 C20 98.9(2) . . ?
N2 Ni1 N1 86.77(11) . . ?
N2 Ni1 O1 176.32(10) . . ?
N1 Ni1 O1 95.28(10) . . ?
N2 Ni1 O2 95.46(10) . . ?
N1 Ni1 O2 176.41(10) . . ?
O1 Ni1 O2 82.64(9) . . ?
N2 Ni1 Li 136.65(13) . 2_644 ?
N1 Ni1 Li 136.52(13) . 2_644 ?
O1 Ni1 Li 41.24(12) . 2_644 ?
O2 Ni1 Li 41.46(12) . 2_644 ?
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
C1 O1 1.319(4) . ?
C1 C2 1.400(4) . ?
C1 C6 1.419(4) . ?
C2 C3 1.383(4) . ?
C3 C4 1.408(4) . ?
C3 C17 1.494(4) . ?
C4 C5 1.380(5) . ?
C5 C6 1.411(5) . ?
C6 C7 1.437(4) . ?
C7 N1 1.293(4) . ?
C8 N1 1.479(4) . ?
C8 C9 1.504(4) . ?
C9 N2 1.485(3) . ?
C10 N2 1.289(4) . ?
C10 C11 1.436(4) . ?
C11 C12 1.413(4) . ?
C11 C16 1.414(4) . ?
C12 C13 1.375(4) . ?
C13 C14 1.405(4) . ?
C14 C15 1.393(4) . ?
C14 C18 1.513(4) . ?
C15 C16 1.404(4) . ?
C16 O2 1.327(3) . ?
C17 O3 1.217(4) . ?
C17 O4 1.318(4) . ?
C18 O5 1.257(3) . ?
C18 O6 1.264(4) . ?
C18 Li 2.693(5) . ?
C19 S1 1.767(5) . ?
C20 S1 1.777(3) . ?
N1 Ni1 1.852(2) . ?
N2 Ni1 1.839(2) . ?
O1 Ni1 1.858(2) . ?
O1 Li 1.986(5) 2_644 ?
O2 Ni1 1.864(2) . ?
O2 Li 1.992(5) 2_644 ?
O5 Li 1.928(5) . ?
O7 S1 1.504(2) . ?
O7 Li 1.907(5) . ?
Li O1 1.986(5) 2_654 ?
Li O2 1.992(5) 2_654 ?
Li Ni1 2.960(5) 2_654 ?
Ni1 Li 2.960(5) 2_644 ?
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
O1 C1 C2 C3 -175.7(3) . . . . ?
C6 C1 C2 C3 3.7(4) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C1 C2 C3 C17 179.4(3) . . . . ?
C2 C3 C4 C5 -2.1(5) . . . . ?
C17 C3 C4 C5 178.0(3) . . . . ?
C3 C4 C5 C6 1.4(6) . . . . ?
C4 C5 C6 C1 1.8(5) . . . . ?
C4 C5 C6 C7 -176.5(3) . . . . ?
O1 C1 C6 C5 175.0(3) . . . . ?
C2 C1 C6 C5 -4.3(5) . . . . ?
O1 C1 C6 C7 -6.7(5) . . . . ?
C2 C1 C6 C7 174.0(3) . . . . ?
C5 C6 C7 N1 177.9(3) . . . . ?
C1 C6 C7 N1 -0.3(5) . . . . ?
N1 C8 C9 N2 0.9(3) . . . . ?
N2 C10 C11 C12 178.6(3) . . . . ?
N2 C10 C11 C16 -1.7(4) . . . . ?
C16 C11 C12 C13 2.4(4) . . . . ?
C10 C11 C12 C13 -177.9(3) . . . . ?
C11 C12 C13 C14 -0.4(5) . . . . ?
C12 C13 C14 C15 -1.1(4) . . . . ?
C12 C13 C14 C18 -179.2(3) . . . . ?
C13 C14 C15 C16 0.5(4) . . . . ?
C18 C14 C15 C16 178.6(2) . . . . ?
C14 C15 C16 O2 -178.6(2) . . . . ?
C14 C15 C16 C11 1.5(4) . . . . ?
C12 C11 C16 O2 177.2(3) . . . . ?
C10 C11 C16 O2 -2.5(4) . . . . ?
C12 C11 C16 C15 -2.8(4) . . . . ?
C10 C11 C16 C15 177.4(3) . . . . ?
C2 C3 C17 O3 38.2(5) . . . . ?
C4 C3 C17 O3 -141.9(4) . . . . ?
C2 C3 C17 O4 -143.2(3) . . . . ?
C4 C3 C17 O4 36.6(4) . . . . ?
C15 C14 C18 O5 -20.2(4) . . . . ?
C13 C14 C18 O5 157.9(3) . . . . ?
C15 C14 C18 O6 160.7(3) . . . . ?
C13 C14 C18 O6 -21.2(4) . . . . ?
C15 C14 C18 Li -32.4(7) . . . . ?
C13 C14 C18 Li 145.8(5) . . . . ?
C6 C7 N1 C8 -174.7(3) . . . . ?
C6 C7 N1 Ni1 5.8(5) . . . . ?
C9 C8 N1 C7 -179.7(3) . . . . ?
C9 C8 N1 Ni1 -0.1(3) . . . . ?
C11 C10 N2 C9 -177.9(3) . . . . ?
C11 C10 N2 Ni1 6.9(4) . . . . ?
C8 C9 N2 C10 -177.0(3) . . . . ?
C8 C9 N2 Ni1 -1.4(3) . . . . ?
C2 C1 O1 Ni1 -172.8(2) . . . . ?
C6 C1 O1 Ni1 7.9(4) . . . . ?
C2 C1 O1 Li 4.2(4) . . . 2_644 ?
C6 C1 O1 Li -175.1(3) . . . 2_644 ?
C15 C16 O2 Ni1 -178.89(19) . . . . ?
C11 C16 O2 Ni1 1.0(4) . . . . ?
C15 C16 O2 Li 12.2(4) . . . 2_644 ?
C11 C16 O2 Li -167.9(3) . . . 2_644 ?
O6 C18 O5 Li 6.0(4) . . . . ?
C14 C18 O5 Li -173.1(2) . . . . ?
S1 O7 Li O5 -41.7(5) . . . . ?
S1 O7 Li O1 104.3(3) . . . 2_654 ?
S1 O7 Li O2 -170.5(2) . . . 2_654 ?
S1 O7 Li C18 -21.6(4) . . . . ?
S1 O7 Li Ni1 147.7(2) . . . 2_654 ?
C18 O5 Li O7 52.0(4) . . . . ?
C18 O5 Li O1 -94.1(3) . . . 2_654 ?
C18 O5 Li O2 -178.3(2) . . . 2_654 ?
C18 O5 Li Ni1 -137.5(2) . . . 2_654 ?
O5 C18 Li O7 -134.9(3) . . . . ?
O6 C18 Li O7 50.2(2) . . . . ?
C14 C18 Li O7 -118.4(5) . . . . ?
O6 C18 Li O5 -174.9(3) . . . . ?
C14 C18 Li O5 16.5(5) . . . . ?
O5 C18 Li O1 98.4(3) . . . 2_654 ?
O6 C18 Li O1 -76.6(3) . . . 2_654 ?
C14 C18 Li O1 114.9(5) . . . 2_654 ?
O5 C18 Li O2 2.3(3) . . . 2_654 ?
O6 C18 Li O2 -172.7(3) . . . 2_654 ?
C14 C18 Li O2 18.8(7) . . . 2_654 ?
O5 C18 Li Ni1 59.0(3) . . . 2_654 ?
O6 C18 Li Ni1 -116.0(3) . . . 2_654 ?
C14 C18 Li Ni1 75.5(6) . . . 2_654 ?
Li O7 S1 C19 -94.5(4) . . . . ?
Li O7 S1 C20 161.5(3) . . . . ?
C10 N2 Ni1 N1 176.3(2) . . . . ?
C9 N2 Ni1 N1 1.1(2) . . . . ?
C10 N2 Ni1 O1 52.3(17) . . . . ?
C9 N2 Ni1 O1 -122.9(15) . . . . ?
C10 N2 Ni1 O2 -6.5(3) . . . . ?
C9 N2 Ni1 O2 178.3(2) . . . . ?
C10 N2 Ni1 Li -1.0(3) . . . 2_644 ?
C9 N2 Ni1 Li -176.2(2) . . . 2_644 ?
C7 N1 Ni1 N2 179.0(3) . . . . ?
C8 N1 Ni1 N2 -0.5(2) . . . . ?
C7 N1 Ni1 O1 -4.0(3) . . . . ?
C8 N1 Ni1 O1 176.4(2) . . . . ?
C7 N1 Ni1 O2 50.5(18) . . . . ?
C8 N1 Ni1 O2 -129.1(16) . . . . ?
C7 N1 Ni1 Li -3.6(3) . . . 2_644 ?
C8 N1 Ni1 Li 176.8(2) . . . 2_644 ?
C1 O1 Ni1 N2 121.1(15) . . . . ?
Li O1 Ni1 N2 -56.6(16) 2_644 . . . ?
C1 O1 Ni1 N1 -2.7(2) . . . . ?
Li O1 Ni1 N1 179.58(17) 2_644 . . . ?
C1 O1 Ni1 O2 -179.7(2) . . . . ?
Li O1 Ni1 O2 2.53(17) 2_644 . . . ?
C1 O1 Ni1 Li 177.8(3) . . . 2_644 ?
C16 O2 Ni1 N2 2.7(2) . . . . ?
Li O2 Ni1 N2 174.31(17) 2_644 . . . ?
C16 O2 Ni1 N1 131.0(16) . . . . ?
Li O2 Ni1 N1 -57.3(17) 2_644 . . . ?
C16 O2 Ni1 O1 -174.2(2) . . . . ?
Li O2 Ni1 O1 -2.52(16) 2_644 . . . ?
C16 O2 Ni1 Li -171.6(3) . . . 2_644 ?
