#------------------------------------------------------------------------------
#$Date: 2022-10-08 01:55:59 +0300 (Sat, 08 Oct 2022) $
#$Revision: 278495 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/14/7711446.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_7711446
loop_
_publ_author_name
'Lan, Bi-Liu'
'Luo, Ai-Yi'
'Shao, Bing'
'Gao, Li-Na'
'Wei, Qin'
'Liang, Yu-Ning'
'Huang, Jin'
'Zhang, Zhong'
_publ_section_title
;
 Structural evolution from preorganized mononuclear triazamacrocyclic
 metalloligands to polynuclear metallocages and heterometallic 2D layers:
 modular architectures, assembly tracking and magnetic properties
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT02186B
_journal_year                    2022
_chemical_formula_moiety         'C30 H72 N6 Ni5 O24, La N6 O18, Cl, 2(H2 O)'
_chemical_formula_sum            'C30 H76 Cl La N12 Ni5 O44'
_chemical_formula_weight         1776.94
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2022-04-08 deposited with the CCDC.	2022-09-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   11.9438(19)
_cell_length_b                   11.9438(19)
_cell_length_c                   26.820(4)
_cell_measurement_reflns_used    5933
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      25.45
_cell_measurement_theta_min      2.49
_cell_volume                     3313.4(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Apex CCD II'
_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  0.0174
_diffrn_reflns_av_sigmaI/netI    0.0454
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            26532
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    2.172
_exptl_absorpt_correction_T_max  0.647
_exptl_absorpt_correction_T_min  0.602
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            light-purple
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1812
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.172
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.150
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_reflns         2251
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0489
_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)+(0.0824P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1316
_refine_ls_wR_factor_ref         0.1327
_reflns_number_gt                1692
_reflns_number_total             2251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d2dt02186b2.cif
_cod_data_source_block           3_NiLa
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Hexagonal' was changed to
'hexagonal' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7711446
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -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 0.3344(5) 0.4926(5) 0.05331(18) 0.0393(12) Uani 1 1 d . . .
H1A H 0.3072 0.4242 0.0779 0.047 Uiso 1 1 calc R . .
H1B H 0.3705 0.4705 0.0251 0.047 Uiso 1 1 calc R . .
C2 C 0.4987(5) 0.7173(5) 0.0363(2) 0.0441(13) Uani 1 1 d . . .
H2A H 0.4491 0.6884 0.0057 0.053 Uiso 1 1 calc R . .
H2B H 0.5848 0.7318 0.0296 0.053 Uiso 1 1 calc R . .
C3 C 0.5310(4) 0.5939(5) 0.1026(2) 0.0391(12) Uani 1 1 d . . .
H3A H 0.5697 0.5608 0.0794 0.047 Uiso 1 1 calc R . .
H3B H 0.4858 0.5281 0.1278 0.047 Uiso 1 1 calc R . .
C4 C 0.6379(4) 0.7134(5) 0.1277(2) 0.0373(12) Uani 1 1 d . . .
H4A H 0.6979 0.6901 0.1421 0.045 Uiso 1 1 calc R . .
H4B H 0.6844 0.7767 0.1018 0.045 Uiso 1 1 calc R . .
C5 C 0.6034(4) 0.7791(4) 0.16749(17) 0.0295(10) Uani 1 1 d . . .
La1 La 1.0000 0.0000 0.0000 0.0283(2) Uani 1 6 d S . .
Cl1 Cl 0.66667 0.33333 0.1943(2) 0.0558(12) Uani 0.50 3 d SP . .
N1 N 0.4357(4) 0.6162(4) 0.07537(14) 0.0319(9) Uani 1 1 d . . .
N2 N 0.8554(4) 0.0995(4) 0.06358(17) 0.0409(10) Uani 1 1 d . . .
Ni1 Ni 0.33333 0.66667 0.12299(4) 0.0254(3) Uani 1 3 d S . .
Ni2 Ni 0.69270(10) 0.98073(10) 0.2500 0.0474(3) Uani 1 2 d S . .
O1 O 0.4892(3) 0.7590(3) 0.17014(12) 0.0345(8) Uani 1 1 d . . .
O2 O 0.6925(3) 0.8549(3) 0.19527(13) 0.0453(9) Uani 1 1 d . . .
O3 O 0.4890(5) 0.8919(5) 0.2500 0.0450(12) Uani 1 2 d S . .
H3D H 0.4602 0.8575 0.2783 0.068 Uiso 0.50 1 d PR . .
H3C H 0.4665 0.8305 0.2292 0.068 Uiso 0.50 1 d PR . .
O4 O 0.8870(5) 1.0752(5) 0.2500 0.0530(14) Uani 1 2 d S . .
H4C H 0.8958 1.1226 0.2250 0.079 Uiso 1 1 d R . .
O5 O 0.6897(4) 1.0917(4) 0.19105(15) 0.0632(11) Uani 1 1 d . . .
H5C H 0.6700 1.0808 0.1603 0.095 Uiso 1 1 d R . .
H5D H 0.6737 1.1488 0.2022 0.095 Uiso 1 1 d R . .
O6 O 0.8570(3) -0.0033(3) 0.07580(14) 0.0453(9) Uani 1 1 d . . .
O7 O 0.9210(3) 0.1617(3) 0.02675(14) 0.0438(9) Uani 1 1 d . . .
O8 O 0.7871(4) 0.1317(4) 0.08702(18) 0.0687(13) Uani 1 1 d . . .
O9 O 0.0000 1.0000 0.1717(3) 0.065(2) Uani 1 3 d S . .
H9C H 0.0281 0.9540 0.1849 0.098 Uiso 0.66667 1 d PR . .
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'
La La -0.2871 2.4523 '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
N1 C1 C2 111.8(4) . 3_565 ?
N1 C1 H1A 109.3 . . ?
C2 C1 H1A 109.3 3_565 . ?
N1 C1 H1B 109.3 . . ?
C2 C1 H1B 109.3 3_565 . ?
H1A C1 H1B 107.9 . . ?
N1 C2 C1 110.2(4) . 2_665 ?
N1 C2 H2A 109.6 . . ?
C1 C2 H2A 109.6 2_665 . ?
N1 C2 H2B 109.6 . . ?
C1 C2 H2B 109.6 2_665 . ?
H2A C2 H2B 108.1 . . ?
N1 C3 C4 114.2(4) . . ?
N1 C3 H3A 108.7 . . ?
C4 C3 H3A 108.7 . . ?
N1 C3 H3B 108.7 . . ?
C4 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C5 C4 C3 119.1(4) . . ?
C5 C4 H4A 107.5 . . ?
C3 C4 H4A 107.5 . . ?
C5 C4 H4B 107.5 . . ?
C3 C4 H4B 107.5 . . ?
H4A C4 H4B 107.0 . . ?
O2 C5 O1 123.7(4) . . ?
O2 C5 C4 116.7(4) . . ?
O1 C5 C4 119.6(4) . . ?
O7 La1 O7 180.00(17) 3_765 9_545 ?
O7 La1 O7 112.89(7) 3_765 2_645 ?
O7 La1 O7 67.11(7) 9_545 2_645 ?
O7 La1 O7 67.11(7) 3_765 7_755 ?
O7 La1 O7 112.89(7) 9_545 7_755 ?
O7 La1 O7 67.11(7) 2_645 7_755 ?
O7 La1 O7 67.11(7) 3_765 8_665 ?
O7 La1 O7 112.89(7) 9_545 8_665 ?
O7 La1 O7 180.00(19) 2_645 8_665 ?
O7 La1 O7 112.89(7) 7_755 8_665 ?
O7 La1 O7 112.89(7) 3_765 . ?
O7 La1 O7 67.11(7) 9_545 . ?
O7 La1 O7 112.89(7) 2_645 . ?
O7 La1 O7 180.00(19) 7_755 . ?
O7 La1 O7 67.11(7) 8_665 . ?
O7 La1 O6 48.42(10) 3_765 3_765 ?
O7 La1 O6 131.58(10) 9_545 3_765 ?
O7 La1 O6 112.14(11) 2_645 3_765 ?
O7 La1 O6 109.93(11) 7_755 3_765 ?
O7 La1 O6 67.86(11) 8_665 3_765 ?
O7 La1 O6 70.07(11) . 3_765 ?
O7 La1 O6 131.58(10) 3_765 9_545 ?
O7 La1 O6 48.42(10) 9_545 9_545 ?
O7 La1 O6 67.86(11) 2_645 9_545 ?
O7 La1 O6 70.07(11) 7_755 9_545 ?
O7 La1 O6 112.14(11) 8_665 9_545 ?
O7 La1 O6 109.93(11) . 9_545 ?
O6 La1 O6 180.00(10) 3_765 9_545 ?
O7 La1 O6 70.07(11) 3_765 2_645 ?
O7 La1 O6 109.93(11) 9_545 2_645 ?
O7 La1 O6 48.42(10) 2_645 2_645 ?
O7 La1 O6 67.86(11) 7_755 2_645 ?
O7 La1 O6 131.58(10) 8_665 2_645 ?
O7 La1 O6 112.14(11) . 2_645 ?
O6 La1 O6 67.21(13) 3_765 2_645 ?
O6 La1 O6 112.79(13) 9_545 2_645 ?
O7 La1 O6 112.14(11) 3_765 . ?
O7 La1 O6 67.86(11) 9_545 . ?
O7 La1 O6 70.07(11) 2_645 . ?
O7 La1 O6 131.58(10) 7_755 . ?
O7 La1 O6 109.93(11) 8_665 . ?
O7 La1 O6 48.42(10) . . ?
O6 La1 O6 67.21(13) 3_765 . ?
O6 La1 O6 112.79(13) 9_545 . ?
O6 La1 O6 67.21(13) 2_645 . ?
O7 La1 O6 109.93(11) 3_765 8_665 ?
O7 La1 O6 70.07(11) 9_545 8_665 ?
O7 La1 O6 131.58(10) 2_645 8_665 ?
O7 La1 O6 112.14(11) 7_755 8_665 ?
O7 La1 O6 48.42(10) 8_665 8_665 ?
O7 La1 O6 67.86(11) . 8_665 ?
O6 La1 O6 112.79(13) 3_765 8_665 ?
O6 La1 O6 67.21(13) 9_545 8_665 ?
O6 La1 O6 180.00(18) 2_645 8_665 ?
O6 La1 O6 112.79(13) . 8_665 ?
O7 La1 O6 67.86(11) 3_765 7_755 ?
O7 La1 O6 112.14(11) 9_545 7_755 ?
O7 La1 O6 109.93(11) 2_645 7_755 ?
O7 La1 O6 48.42(10) 7_755 7_755 ?
O7 La1 O6 70.07(11) 8_665 7_755 ?
O7 La1 O6 131.58(10) . 7_755 ?
O6 La1 O6 112.79(13) 3_765 7_755 ?
O6 La1 O6 67.21(13) 9_545 7_755 ?
O6 La1 O6 112.79(13) 2_645 7_755 ?
O6 La1 O6 180.00(16) . 7_755 ?
O6 La1 O6 67.21(13) 8_665 7_755 ?
C1 N1 C3 109.5(4) . . ?
C1 N1 C2 110.9(4) . . ?
C3 N1 C2 111.7(4) . . ?
C1 N1 Ni1 103.4(3) . . ?
C3 N1 Ni1 111.6(3) . . ?
C2 N1 Ni1 109.4(3) . . ?
O8 N2 O7 122.3(4) . . ?
O8 N2 O6 119.8(4) . . ?
O7 N2 O6 117.8(4) . . ?
O8 N2 La1 174.2(4) . . ?
O7 N2 La1 58.8(2) . . ?
O6 N2 La1 59.2(2) . . ?
N1 Ni1 N1 85.47(16) 3_565 2_665 ?
N1 Ni1 N1 85.47(16) 3_565 . ?
N1 Ni1 N1 85.47(16) 2_665 . ?
N1 Ni1 O1 96.93(14) 3_565 2_665 ?
N1 Ni1 O1 91.60(14) 2_665 2_665 ?
N1 Ni1 O1 176.07(13) . 2_665 ?
N1 Ni1 O1 176.07(13) 3_565 . ?
N1 Ni1 O1 96.93(14) 2_665 . ?
N1 Ni1 O1 91.60(14) . . ?
O1 Ni1 O1 86.14(13) 2_665 . ?
N1 Ni1 O1 91.60(14) 3_565 3_565 ?
N1 Ni1 O1 176.07(13) 2_665 3_565 ?
N1 Ni1 O1 96.93(13) . 3_565 ?
O1 Ni1 O1 86.14(13) 2_665 3_565 ?
O1 Ni1 O1 86.14(13) . 3_565 ?
O4 Ni2 O5 91.45(16) . 10_556 ?
O4 Ni2 O5 91.45(16) . . ?
O5 Ni2 O5 99.3(2) 10_556 . ?
O4 Ni2 O2 89.40(15) . . ?
O5 Ni2 O2 174.62(15) 10_556 . ?
O5 Ni2 O2 86.01(15) . . ?
O4 Ni2 O2 89.40(15) . 10_556 ?
O5 Ni2 O2 86.01(15) 10_556 10_556 ?
O5 Ni2 O2 174.62(15) . 10_556 ?
O2 Ni2 O2 88.7(2) . 10_556 ?
O4 Ni2 O3 176.7(2) . . ?
O5 Ni2 O3 86.43(15) 10_556 . ?
O5 Ni2 O3 86.43(15) . . ?
O2 Ni2 O3 92.95(14) . . ?
O2 Ni2 O3 92.95(14) 10_556 . ?
C5 O1 Ni1 132.0(3) . . ?
C5 O2 Ni2 129.4(3) . . ?
Ni2 O3 H3D 109.2 . . ?
Ni2 O3 H3C 102.8 . . ?
H3D O3 H3C 106.9 . . ?
Ni2 O4 H4C 95.6 . . ?
Ni2 O5 H5C 137.2 . . ?
Ni2 O5 H5D 109.1 . . ?
H5C O5 H5D 107.9 . . ?
N2 O6 La1 96.2(3) . . ?
N2 O7 La1 97.4(3) . . ?
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 N1 1.485(6) . ?
C1 C2 1.508(7) 3_565 ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C2 N1 1.488(6) . ?
C2 C1 1.508(7) 2_665 ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C3 N1 1.485(6) . ?
C3 C4 1.515(7) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 C5 1.499(6) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 O2 1.243(5) . ?
C5 O1 1.263(5) . ?
La1 O7 2.637(3) 3_765 ?
La1 O7 2.637(3) 9_545 ?
La1 O7 2.637(3) 2_645 ?
La1 O7 2.637(3) 7_755 ?
La1 O7 2.637(3) 8_665 ?
La1 O7 2.637(3) . ?
La1 O6 2.643(4) 3_765 ?
La1 O6 2.643(4) 9_545 ?
La1 O6 2.643(4) 2_645 ?
La1 O6 2.643(4) . ?
La1 O6 2.643(4) 8_665 ?
La1 O6 2.643(4) 7_755 ?
N1 Ni1 2.056(4) . ?
N2 O8 1.233(5) . ?
N2 O7 1.249(5) . ?
N2 O6 1.280(5) . ?
Ni1 N1 2.056(4) 3_565 ?
Ni1 N1 2.056(4) 2_665 ?
Ni1 O1 2.056(3) 2_665 ?
Ni1 O1 2.056(3) . ?
Ni1 O1 2.056(3) 3_565 ?
Ni2 O4 2.010(5) . ?
Ni2 O5 2.075(4) 10_556 ?
Ni2 O5 2.075(4) . ?
Ni2 O2 2.100(3) . ?
Ni2 O2 2.100(3) 10_556 ?
Ni2 O3 2.112(5) . ?
O3 H3D 0.8505 . ?
O3 H3C 0.8504 . ?
O4 H4C 0.8499 . ?
O5 H5C 0.8504 . ?
O5 H5D 0.8497 . ?
O9 H9C 0.8501 . ?
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
N1 C3 C4 C5 61.7(6) . . . . ?
C3 C4 C5 O2 162.6(4) . . . . ?
C3 C4 C5 O1 -19.8(7) . . . . ?
C2 C1 N1 C3 165.9(4) 3_565 . . . ?
C2 C1 N1 C2 -70.4(5) 3_565 . . . ?
C2 C1 N1 Ni1 46.8(4) 3_565 . . . ?
C4 C3 N1 C1 -178.9(4) . . . . ?
C4 C3 N1 C2 57.9(5) . . . . ?
C4 C3 N1 Ni1 -65.0(5) . . . . ?
C1 C2 N1 C1 132.9(4) 2_665 . . . ?
C1 C2 N1 C3 -104.6(5) 2_665 . . . ?
C1 C2 N1 Ni1 19.6(5) 2_665 . . . ?
O7 La1 N2 O7 88.5(2) 3_765 . . . ?
O7 La1 N2 O7 -91.5(2) 9_545 . . . ?
O7 La1 N2 O7 -155.1(3) 2_645 . . . ?
O7 La1 N2 O7 180.0 7_755 . . . ?
O7 La1 N2 O7 24.9(3) 8_665 . . . ?
O6 La1 N2 O7 91.4(3) 3_765 . . . ?
O6 La1 N2 O7 -88.6(3) 9_545 . . . ?
O6 La1 N2 O7 156.5(3) 2_645 . . . ?
O6 La1 N2 O7 175.6(4) . . . . ?
O6 La1 N2 O7 -23.5(3) 8_665 . . . ?
O6 La1 N2 O7 -4.4(4) 7_755 . . . ?
O7 La1 N2 O6 -87.1(3) 3_765 . . . ?
O7 La1 N2 O6 92.9(3) 9_545 . . . ?
O7 La1 N2 O6 29.3(3) 2_645 . . . ?
O7 La1 N2 O6 4.4(4) 7_755 . . . ?
O7 La1 N2 O6 -150.7(3) 8_665 . . . ?
O7 La1 N2 O6 -175.6(4) . . . . ?
O6 La1 N2 O6 -84.2(3) 3_765 . . . ?
O6 La1 N2 O6 95.8(3) 9_545 . . . ?
O6 La1 N2 O6 -19.1(3) 2_645 . . . ?
O6 La1 N2 O6 160.9(3) 8_665 . . . ?
O6 La1 N2 O6 180.0 7_755 . . . ?
C1 N1 Ni1 N1 -27.6(3) . . . 3_565 ?
C3 N1 Ni1 N1 -145.2(3) . . . 3_565 ?
C2 N1 Ni1 N1 90.6(3) . . . 3_565 ?
C1 N1 Ni1 N1 -113.4(2) . . . 2_665 ?
C3 N1 Ni1 N1 129.0(3) . . . 2_665 ?
C2 N1 Ni1 N1 4.8(3) . . . 2_665 ?
C1 N1 Ni1 O1 149.8(3) . . . . ?
C3 N1 Ni1 O1 32.2(3) . . . . ?
C2 N1 Ni1 O1 -92.0(3) . . . . ?
C1 N1 Ni1 O1 63.5(3) . . . 3_565 ?
C3 N1 Ni1 O1 -54.1(3) . . . 3_565 ?
C2 N1 Ni1 O1 -178.3(3) . . . 3_565 ?
O2 C5 O1 Ni1 167.8(3) . . . . ?
C4 C5 O1 Ni1 -9.6(6) . . . . ?
N1 Ni1 O1 C5 -82.7(4) 2_665 . . . ?
N1 Ni1 O1 C5 2.9(4) . . . . ?
O1 Ni1 O1 C5 -173.9(4) 2_665 . . . ?
O1 Ni1 O1 C5 99.8(5) 3_565 . . . ?
O1 C5 O2 Ni2 -4.7(7) . . . . ?
C4 C5 O2 Ni2 172.7(3) . . . . ?
O4 Ni2 O2 C5 -164.2(4) . . . . ?
O5 Ni2 O2 C5 -72.7(4) . . . . ?
O2 Ni2 O2 C5 106.4(4) 10_556 . . . ?
O3 Ni2 O2 C5 13.5(4) . . . . ?
O8 N2 O6 La1 173.4(4) . . . . ?
O7 N2 O6 La1 -4.3(4) . . . . ?
O7 La1 O6 N2 103.9(3) 3_765 . . . ?
O7 La1 O6 N2 -76.1(3) 9_545 . . . ?
O7 La1 O6 N2 -148.6(3) 2_645 . . . ?
O7 La1 O6 N2 -177.6(2) 7_755 . . . ?
O7 La1 O6 N2 31.4(3) 8_665 . . . ?
O7 La1 O6 N2 2.4(2) . . . . ?
O6 La1 O6 N2 85.4(3) 3_765 . . . ?
O6 La1 O6 N2 -94.6(3) 9_545 . . . ?
O6 La1 O6 N2 159.2(3) 2_645 . . . ?
O6 La1 O6 N2 -20.8(3) 8_665 . . . ?
O8 N2 O7 La1 -173.3(4) . . . . ?
O6 N2 O7 La1 4.3(4) . . . . ?
O7 La1 O7 N2 -102.4(2) 3_765 . . . ?
O7 La1 O7 N2 77.6(2) 9_545 . . . ?
O7 La1 O7 N2 27.2(3) 2_645 . . . ?
O7 La1 O7 N2 -152.8(3) 8_665 . . . ?
O6 La1 O7 N2 -79.2(3) 3_765 . . . ?
O6 La1 O7 N2 100.8(3) 9_545 . . . ?
O6 La1 O7 N2 -25.5(3) 2_645 . . . ?
O6 La1 O7 N2 -2.4(2) . . . . ?
O6 La1 O7 N2 154.5(3) 8_665 . . . ?
O6 La1 O7 N2 177.6(2) 7_755 . . . ?
