#------------------------------------------------------------------------------
#$Date: 2019-09-23 12:48:42 +0300 (Mon, 23 Sep 2019) $
#$Revision: 218742 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/09/4340971.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_4340971
loop_
_publ_author_name
'Zhao, Fang-Hua'
'Li, Hui'
'Che, Yun-Xia'
'Zheng, Ji-Min'
'Vieru, Veacheslav'
'Chibotaru, Liviu F.'
'Grandjean, Fernande'
'Long, Gary J.'
_publ_section_title
;
 Synthesis, structure, and magnetic properties of Dy₂Co₂L₁₀(bipy)₂
 and Ln₂Ni₂L₁₀(bipy)₂, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic
 relaxation in Dy₂Co₂L₁₀(bipy)₂ and Dy₂Ni₂L₁₀(bipy)₂
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   18
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9785
_journal_page_last               9799
_journal_paper_doi               10.1021/ic501374q
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C90 H46 Cl20 La2 N4 Ni2 O20'
_chemical_formula_weight         2607.51
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 131.057(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.626(4)
_cell_length_b                   13.001(3)
_cell_length_c                   27.197(8)
_cell_measurement_reflns_used    23545
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.01
_cell_volume                     4966(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      153(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.1606
_diffrn_reflns_av_sigmaI/netI    0.1283
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            37256
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    1.824
_exptl_absorpt_correction_T_max  0.7118
_exptl_absorpt_correction_T_min  0.7118
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.744
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.054
_refine_diff_density_min         -1.618
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         8724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1230
_refine_ls_R_factor_gt           0.0695
_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)+(0.0690P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1406
_refine_ls_wR_factor_ref         0.1637
_reflns_number_gt                5454
_reflns_number_total             8724
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501374q_si_001.cif
_cod_data_source_block           2La2Ni2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340970--4340975.cif.

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-23
;
_cod_original_cell_volume        4966(2)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4340971
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.3914(6) 0.0271(7) 0.9288(4) 0.049(2) Uani 1 1 d .
H1 H 0.3623 -0.0387 0.9177 0.059 Uiso 1 1 calc R
C2 C 0.4530(7) 0.0482(9) 0.9187(5) 0.062(3) Uani 1 1 d .
H2 H 0.4657 -0.0023 0.9000 0.075 Uiso 1 1 calc R
C3 C 0.4955(8) 0.1410(10) 0.9354(5) 0.077(3) Uani 1 1 d .
H3 H 0.5395 0.1556 0.9296 0.093 Uiso 1 1 calc R
C4 C 0.4747(7) 0.2147(9) 0.9611(5) 0.077(3) Uani 1 1 d .
H4 H 0.5041 0.2804 0.9730 0.092 Uiso 1 1 calc R
C5 C 0.4101(6) 0.1912(7) 0.9693(4) 0.048(2) Uani 1 1 d .
C6 C 0.3781(6) 0.2658(7) 0.9936(4) 0.049(2) Uani 1 1 d .
C7 C 0.4083(8) 0.3640(8) 1.0094(5) 0.073(3) Uani 1 1 d .
H7 H 0.4544 0.3884 1.0074 0.088 Uiso 1 1 calc R
C8 C 0.3717(10) 0.4291(9) 1.0286(5) 0.084(4) Uani 1 1 d .
H8 H 0.3927 0.4985 1.0399 0.101 Uiso 1 1 calc R
C9 C 0.3060(9) 0.3931(8) 1.0310(5) 0.078(3) Uani 1 1 d .
H9 H 0.2792 0.4366 1.0434 0.093 Uiso 1 1 calc R
C10 C 0.2789(7) 0.2911(7) 1.0149(4) 0.060(3) Uani 1 1 d .
H10 H 0.2343 0.2644 1.0178 0.072 Uiso 1 1 calc R
C11 C 0.1028(6) 0.1602(6) 0.8653(4) 0.037(2) Uani 1 1 d .
C12 C 0.0402(5) 0.2364(6) 0.8129(4) 0.039(2) Uani 1 1 d .
C13 C 0.0749(6) 0.2950(7) 0.7898(4) 0.048(2) Uani 1 1 d .
H13 H 0.1368 0.2824 0.8050 0.058 Uiso 1 1 calc R
C14 C 0.0191(7) 0.3713(7) 0.7449(4) 0.051(2) Uani 1 1 d .
C15 C -0.0720(6) 0.3900(6) 0.7202(4) 0.049(2) Uani 1 1 d .
H15 H -0.1100 0.4427 0.6890 0.059 Uiso 1 1 calc R
C16 C -0.1065(6) 0.3283(7) 0.7429(4) 0.044(2) Uani 1 1 d .
C17 C -0.0507(6) 0.2529(6) 0.7891(4) 0.043(2) Uani 1 1 d .
H17 H -0.0751 0.2124 0.8043 0.051 Uiso 1 1 calc R
C18 C 0.3236(7) 0.0480(6) 1.0800(4) 0.045(2) Uani 1 1 d .
C19 C 0.3733(5) 0.0323(7) 1.1517(4) 0.040(2) Uani 1 1 d .
C20 C 0.4559(6) -0.0234(7) 1.1897(4) 0.048(2) Uani 1 1 d .
H20 H 0.4829 -0.0488 1.1722 0.058 Uiso 1 1 calc R
C21 C 0.4991(6) -0.0419(7) 1.2536(4) 0.055(3) Uani 1 1 d .
C22 C 0.4635(8) -0.0015(8) 1.2803(5) 0.068(3) Uani 1 1 d .
H22 H 0.4950 -0.0132 1.3248 0.081 Uiso 1 1 calc R
C23 C 0.3813(8) 0.0566(8) 1.2415(5) 0.062(3) Uani 1 1 d .
C24 C 0.3349(6) 0.0735(7) 1.1773(4) 0.050(2) Uani 1 1 d .
H24 H 0.2778 0.1125 1.1507 0.060 Uiso 1 1 calc R
C25 C -0.1422(6) 0.1025(6) 0.8886(4) 0.041(2) Uani 1 1 d .
C26 C -0.2311(5) 0.1659(6) 0.8540(4) 0.0362(19) Uani 1 1 d .
C27 C -0.2585(5) 0.1976(6) 0.8891(4) 0.038(2) Uani 1 1 d .
H27 H -0.2226 0.1782 0.9333 0.046 Uiso 1 1 calc R
C28 C -0.3388(6) 0.2574(7) 0.8575(5) 0.050(2) Uani 1 1 d .
C29 C -0.3929(6) 0.2846(6) 0.7929(5) 0.054(2) Uani 1 1 d .
H29 H -0.4484 0.3257 0.7715 0.065 Uiso 1 1 calc R
C30 C -0.3639(6) 0.2502(7) 0.7599(4) 0.052(2) Uani 1 1 d .
C31 C -0.2823(6) 0.1911(6) 0.7910(4) 0.043(2) Uani 1 1 d .
H31 H -0.2629 0.1687 0.7680 0.051 Uiso 1 1 calc R
C32 C -0.0711(6) -0.1924(7) 0.9389(4) 0.046(2) Uani 1 1 d .
C33 C -0.1095(6) -0.2900(6) 0.9020(4) 0.044(2) Uani 1 1 d .
C34 C -0.1409(7) -0.2928(7) 0.8401(4) 0.060(3) Uani 1 1 d .
H34 H -0.1361 -0.2333 0.8221 0.072 Uiso 1 1 calc R
C35 C -0.1793(8) -0.3816(9) 0.8043(5) 0.079(3) Uani 1 1 d .
C36 C -0.1859(8) -0.4683(8) 0.8296(5) 0.076(3) Uani 1 1 d .
H36 H -0.2123 -0.5297 0.8046 0.091 Uiso 1 1 calc R
C37 C -0.1535(7) -0.4652(7) 0.8921(6) 0.065(3) Uani 1 1 d .
C38 C -0.1157(6) -0.3763(6) 0.9285(4) 0.048(2) Uani 1 1 d .
H38 H -0.0942 -0.3744 0.9713 0.058 Uiso 1 1 calc R
C39 C 0.1994(6) -0.1332(7) 0.9405(4) 0.042(2) Uani 1 1 d .
C40 C 0.1965(5) -0.2424(6) 0.9242(4) 0.038(2) Uani 1 1 d .
C41 C 0.1322(6) -0.3108(7) 0.9169(4) 0.048(2) Uani 1 1 d .
H41 H 0.0908 -0.2881 0.9236 0.058 Uiso 1 1 calc R
C42 C 0.1291(6) -0.4100(7) 0.9000(4) 0.053(2) Uani 1 1 d .
C43 C 0.1873(7) -0.4461(7) 0.8891(4) 0.056(3) Uani 1 1 d .
H43 H 0.1832 -0.5152 0.8761 0.067 Uiso 1 1 calc R
C44 C 0.2520(7) -0.3780(7) 0.8978(4) 0.050(2) Uani 1 1 d .
C45 C 0.2570(6) -0.2781(6) 0.9146(4) 0.045(2) Uani 1 1 d .
H45 H 0.3016 -0.2328 0.9198 0.054 Uiso 1 1 calc R
Cl1 Cl 0.0660(2) 0.4488(2) 0.71953(13) 0.0742(8) Uani 1 1 d .
Cl2 Cl -0.22328(17) 0.3447(2) 0.71064(11) 0.0650(7) Uani 1 1 d .
Cl3 Cl 0.6013(2) -0.1184(3) 1.30096(14) 0.1005(11) Uani 1 1 d .
Cl4 Cl 0.3373(3) 0.1047(3) 1.27622(17) 0.1197(13) Uani 1 1 d .
Cl5 Cl -0.43507(19) 0.2793(3) 0.67736(12) 0.0867(9) Uani 1 1 d .
Cl6 Cl -0.3737(2) 0.2998(2) 0.89940(14) 0.0787(8) Uani 1 1 d .
Cl7 Cl -0.1579(3) -0.5742(2) 0.92591(18) 0.1164(13) Uani 1 1 d .
Cl8 Cl -0.2146(4) -0.3838(3) 0.72767(16) 0.1504(19) Uani 1 1 d .
Cl9 Cl 0.0511(2) -0.4968(2) 0.89236(18) 0.0961(10) Uani 1 1 d .
Cl10 Cl 0.3256(2) -0.4230(2) 0.88433(17) 0.0893(10) Uani 1 1 d .
La1 La 0.05990(3) 0.02449(4) 0.95969(2) 0.03179(16) Uani 1 1 d .
N1 N 0.3716(4) 0.0995(5) 0.9544(3) 0.0406(17) Uani 1 1 d .
N2 N 0.3129(5) 0.2290(5) 0.9955(3) 0.0481(19) Uani 1 1 d .
Ni1 Ni 0.27783(7) 0.07597(8) 0.96788(5) 0.0377(3) Uani 1 1 d .
O1 O 0.1747(4) 0.1284(4) 0.8762(3) 0.0495(15) Uani 1 1 d .
O2 O 0.0807(4) 0.1319(4) 0.8987(3) 0.0483(15) Uani 1 1 d .
O3 O 0.3706(4) 0.0337(5) 1.0633(3) 0.0541(16) Uani 1 1 d .
O4 O 0.2366(4) 0.0724(5) 1.0409(3) 0.0549(16) Uani 1 1 d .
O5 O -0.1053(4) 0.0925(5) 0.8637(3) 0.0509(16) Uani 1 1 d .
O6 O -0.1053(4) 0.0611(4) 0.9437(3) 0.0424(14) Uani 1 1 d .
O7 O 0.0710(4) 0.1793(4) 1.0151(3) 0.0574(17) Uani 1 1 d .
O8 O -0.0396(4) -0.1278(4) 0.9229(3) 0.0559(17) Uani 1 1 d .
O9 O 0.1455(4) -0.1046(4) 0.9508(3) 0.0561(17) Uani 1 1 d .
O10 O 0.2543(4) -0.0725(4) 0.9423(3) 0.0468(15) 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'
Cl Cl 0.1484 0.1585 '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'
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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N1 C1 C2 120.6(9) . .
N1 C1 H1 119.7 . .
C2 C1 H1 119.7 . .
C3 C2 C1 119.7(10) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C2 C3 C4 119.6(11) . .
C2 C3 H3 120.2 . .
C4 C3 H3 120.2 . .
C3 C4 C5 119.1(10) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N1 C5 C4 120.2(9) . .
N1 C5 C6 115.4(8) . .
C4 C5 C6 124.4(9) . .
N2 C6 C7 121.8(9) . .
N2 C6 C5 114.9(8) . .
C7 C6 C5 123.3(9) . .
C6 C7 C8 119.6(11) . .
C6 C7 H7 120.2 . .
C8 C7 H7 120.2 . .
C9 C8 C7 119.5(11) . .
C9 C8 H8 120.3 . .
C7 C8 H8 120.3 . .
C8 C9 C10 118.0(11) . .
C8 C9 H9 121.0 . .
C10 C9 H9 121.0 . .
N2 C10 C9 122.5(10) . .
N2 C10 H10 118.7 . .
C9 C10 H10 118.7 . .
O1 C11 O2 122.7(7) . .
O1 C11 C12 119.8(7) . .
O2 C11 C12 117.5(8) . .
C17 C12 C13 119.8(8) . .
C17 C12 C11 120.3(8) . .
C13 C12 C11 119.8(8) . .
C14 C13 C12 119.6(9) . .
C14 C13 H13 120.2 . .
C12 C13 H13 120.2 . .
C13 C14 C15 122.0(9) . .
C13 C14 Cl1 119.1(7) . .
C15 C14 Cl1 118.8(7) . .
C14 C15 C16 117.4(8) . .
C14 C15 H15 121.3 . .
C16 C15 H15 121.3 . .
C17 C16 C15 121.4(8) . .
C17 C16 Cl2 119.2(7) . .
C15 C16 Cl2 119.4(7) . .
C12 C17 C16 119.8(8) . .
C12 C17 H17 120.1 . .
C16 C17 H17 120.1 . .
O3 C18 O4 123.7(8) . .
O3 C18 C19 117.9(8) . .
O4 C18 C19 118.4(8) . .
O3 C18 Ni1 49.8(4) . .
O4 C18 Ni1 74.1(5) . .
C19 C18 Ni1 167.1(6) . .
C20 C19 C24 121.3(8) . .
C20 C19 C18 118.2(8) . .
C24 C19 C18 120.5(7) . .
C19 C20 C21 118.7(9) . .
C19 C20 H20 120.6 . .
C21 C20 H20 120.6 . .
C22 C21 C20 121.2(9) . .
C22 C21 Cl3 120.0(8) . .
C20 C21 Cl3 118.8(8) . .
C21 C22 C23 119.1(9) . .
C21 C22 H22 120.5 . .
C23 C22 H22 120.5 . .
C24 C23 C22 121.1(9) . .
C24 C23 Cl4 120.9(9) . .
C22 C23 Cl4 118.0(8) . .
C23 C24 C19 118.5(9) . .
C23 C24 H24 120.8 . .
C19 C24 H24 120.8 . .
O5 C25 O6 121.6(7) . .
O5 C25 C26 119.3(7) . .
O6 C25 C26 119.0(7) . .
C31 C26 C27 121.6(7) . .
C31 C26 C25 119.9(7) . .
C27 C26 C25 118.5(7) . .
C28 C27 C26 118.1(8) . .
C28 C27 H27 121.0 . .
C26 C27 H27 121.0 . .
C27 C28 C29 121.8(8) . .
C27 C28 Cl6 119.5(7) . .
C29 C28 Cl6 118.7(7) . .
C28 C29 C30 118.1(8) . .
C28 C29 H29 121.0 . .
C30 C29 H29 121.0 . .
C31 C30 C29 121.3(8) . .
C31 C30 Cl5 120.5(7) . .
C29 C30 Cl5 118.2(7) . .
C26 C31 C30 119.1(8) . .
C26 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
O8 C32 O7 123.8(8) . 3_557
O8 C32 C33 118.0(8) . .
O7 C32 C33 118.2(8) 3_557 .
C34 C33 C38 120.4(8) . .
C34 C33 C32 118.7(8) . .
C38 C33 C32 120.9(8) . .
C35 C34 C33 119.7(9) . .
C35 C34 H34 120.1 . .
C33 C34 H34 120.1 . .
C36 C35 C34 121.0(10) . .
C36 C35 Cl8 120.4(8) . .
C34 C35 Cl8 118.5(9) . .
C35 C36 C37 119.0(9) . .
C35 C36 H36 120.5 . .
C37 C36 H36 120.5 . .
C38 C37 C36 120.8(9) . .
C38 C37 Cl7 119.3(9) . .
C36 C37 Cl7 119.9(8) . .
C37 C38 C33 119.1(9) . .
C37 C38 H38 120.4 . .
C33 C38 H38 120.4 . .
O9 C39 O10 123.2(8) . .
O9 C39 C40 118.1(8) . .
O10 C39 C40 118.7(7) . .
C45 C40 C41 118.9(8) . .
C45 C40 C39 120.1(8) . .
C41 C40 C39 121.0(7) . .
C42 C41 C40 119.8(8) . .
C42 C41 H41 120.1 . .
C40 C41 H41 120.1 . .
C41 C42 C43 122.0(9) . .
C41 C42 Cl9 120.2(7) . .
C43 C42 Cl9 117.8(8) . .
C42 C43 C44 117.6(8) . .
C42 C43 H43 121.2 . .
C44 C43 H43 121.2 . .
C45 C44 C43 121.9(8) . .
C45 C44 Cl10 120.3(7) . .
C43 C44 Cl10 117.8(7) . .
C44 C45 C40 119.8(8) . .
C44 C45 H45 120.1 . .
C40 C45 H45 120.1 . .
O2 La1 O8 128.2(2) . .
O2 La1 O9 85.3(2) . .
O8 La1 O9 76.7(2) . .
O2 La1 O6 156.46(19) . 3_557
O8 La1 O6 72.70(19) . 3_557
O9 La1 O6 90.37(19) . 3_557
O2 La1 O7 87.7(2) . .
O8 La1 O7 131.1(2) . .
O9 La1 O7 146.6(2) . .
O6 La1 O7 83.2(2) 3_557 .
O2 La1 O5 73.93(18) . .
O8 La1 O5 77.3(2) . .
O9 La1 O5 124.4(2) . .
O6 La1 O5 126.34(17) 3_557 .
O7 La1 O5 84.4(2) . .
O2 La1 O4 75.73(19) . .
O8 La1 O4 138.9(2) . .
O9 La1 O4 72.5(2) . .
O6 La1 O4 80.90(19) 3_557 .
O7 La1 O4 74.1(2) . .
O5 La1 O4 143.3(2) . .
O2 La1 O6 116.59(17) . .
O8 La1 O6 67.58(19) . .
O9 La1 O6 144.27(18) . .
O6 La1 O6 79.41(18) 3_557 .
O7 La1 O6 66.51(17) . .
O5 La1 O6 47.98(16) . .
O4 La1 O6 137.59(18) . .
O2 La1 La1 149.45(14) . 3_557
O8 La1 La1 63.62(14) . 3_557
O9 La1 La1 124.86(14) . 3_557
O6 La1 La1 43.42(12) 3_557 3_557
O7 La1 La1 69.56(14) . 3_557
O5 La1 La1 83.47(13) . 3_557
O4 La1 La1 114.94(14) . 3_557
O6 La1 La1 35.99(11) . 3_557
C5 N1 C1 120.7(8) . .
C5 N1 Ni1 116.3(6) . .
C1 N1 Ni1 122.9(6) . .
C10 N2 C6 118.6(8) . .
C10 N2 Ni1 127.4(7) . .
C6 N2 Ni1 113.9(6) . .
O10 Ni1 O1 94.7(2) . .
O10 Ni1 N1 95.8(3) . .
O1 Ni1 N1 87.7(2) . .
O10 Ni1 O3 89.5(2) . .
O1 Ni1 O3 171.5(2) . .
N1 Ni1 O3 99.2(2) . .
O10 Ni1 N2 175.1(3) . .
O1 Ni1 N2 86.7(3) . .
N1 Ni1 N2 79.5(3) . .
O3 Ni1 N2 89.7(3) . .
O10 Ni1 O4 98.2(2) . .
O1 Ni1 O4 116.0(2) . .
N1 Ni1 O4 151.2(2) . .
O3 Ni1 O4 56.0(2) . .
N2 Ni1 O4 85.4(2) . .
O10 Ni1 C18 95.8(2) . .
O1 Ni1 C18 144.1(3) . .
N1 Ni1 C18 125.1(3) . .
O3 Ni1 C18 27.7(2) . .
N2 Ni1 C18 85.7(3) . .
O4 Ni1 C18 28.4(2) . .
C11 O1 Ni1 114.2(5) . .
C11 O2 La1 160.2(5) . .
C18 O3 Ni1 102.4(5) . .
C18 O4 Ni1 77.5(5) . .
C18 O4 La1 151.3(5) . .
Ni1 O4 La1 101.9(2) . .
C25 O5 La1 101.8(5) . .
C25 O6 La1 171.3(5) . 3_557
C25 O6 La1 86.9(5) . .
La1 O6 La1 100.59(18) 3_557 .
C32 O7 La1 131.9(6) 3_557 .
C32 O8 La1 143.7(6) . .
C39 O9 La1 153.3(6) . .
C39 O10 Ni1 127.0(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.359(10) .
C1 C2 1.370(12) .
C1 H1 0.9500 .
C2 C3 1.347(14) .
C2 H2 0.9500 .
C3 C4 1.382(14) .
C3 H3 0.9500 .
C4 C5 1.395(12) .
C4 H4 0.9500 .
C5 N1 1.310(10) .
C5 C6 1.500(12) .
C6 N2 1.338(10) .
C6 C7 1.347(12) .
C7 C8 1.385(15) .
C7 H7 0.9500 .
C8 C9 1.352(16) .
C8 H8 0.9500 .
C9 C10 1.384(13) .
C9 H9 0.9500 .
C10 N2 1.329(11) .
C10 H10 0.9500 .
C11 O1 1.238(9) .
C11 O2 1.273(9) .
C11 C12 1.480(11) .
C12 C17 1.376(10) .
C12 C13 1.386(11) .
C13 C14 1.375(11) .
C13 H13 0.9500 .
C14 C15 1.377(12) .
C14 Cl1 1.744(9) .
C15 C16 1.398(12) .
C15 H15 0.9500 .
C16 C17 1.380(11) .
C16 Cl2 1.744(9) .
C17 H17 0.9500 .
C18 O3 1.237(10) .
C18 O4 1.264(10) .
C18 C19 1.527(11) .
C18 Ni1 2.596(9) .
C19 C20 1.367(11) .
C19 C24 1.392(11) .
C20 C21 1.375(12) .
C20 H20 0.9500 .
C21 C22 1.369(14) .
C21 Cl3 1.747(10) .
C22 C23 1.380(13) .
C22 H22 0.9500 .
C23 C24 1.365(12) .
C23 Cl4 1.723(10) .
C24 H24 0.9500 .
C25 O5 1.249(9) .
C25 O6 1.287(9) .
C25 C26 1.503(11) .
C26 C31 1.344(10) .
C26 C27 1.408(11) .
C27 C28 1.374(11) .
C27 H27 0.9500 .
C28 C29 1.379(12) .
C28 Cl6 1.733(9) .
C29 C30 1.391(12) .
C29 H29 0.9500 .
C30 C31 1.389(11) .
C30 Cl5 1.740(9) .
C31 H31 0.9500 .
C32 O8 1.254(10) .
C32 O7 1.262(10) 3_557
C32 C33 1.478(11) .
C33 C34 1.374(12) .
C33 C38 1.378(11) .
C34 C35 1.371(12) .
C34 H34 0.9500 .
C35 C36 1.367(14) .
C35 Cl8 1.726(11) .
C36 C37 1.381(14) .
C36 H36 0.9500 .
C37 C38 1.378(12) .
C37 Cl7 1.720(10) .
C38 H38 0.9500 .
C39 O9 1.263(9) .
C39 O10 1.266(10) .
C39 C40 1.477(11) .
C40 C45 1.393(10) .
C40 C41 1.397(11) .
C41 C42 1.357(11) .
C41 H41 0.9500 .
C42 C43 1.382(12) .
C42 Cl9 1.740(9) .
C43 C44 1.384(12) .
C43 H43 0.9500 .
C44 C45 1.360(11) .
C44 Cl10 1.736(9) .
C45 H45 0.9500 .
La1 O2 2.386(5) .
La1 O8 2.433(5) .
La1 O9 2.434(6) .
La1 O6 2.437(5) 3_557
La1 O7 2.441(6) .
La1 O5 2.552(5) .
La1 O4 2.559(6) .
La1 O6 2.850(5) .
La1 La1 4.0766(12) 3_557
N1 Ni1 2.030(7) .
N2 Ni1 2.075(7) .
Ni1 O10 2.000(6) .
Ni1 O1 2.020(6) .
Ni1 O3 2.032(6) .
Ni1 O4 2.558(6) .
O6 La1 2.437(5) 3_557
O7 C32 1.262(10) 3_557
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
N1 C1 C2 C3 1.1(14) . .
C1 C2 C3 C4 -1.6(16) . .
C2 C3 C4 C5 0.2(17) . .
C3 C4 C5 N1 1.8(15) . .
C3 C4 C5 C6 -177.0(9) . .
N1 C5 C6 N2 -1.3(11) . .
C4 C5 C6 N2 177.6(9) . .
N1 C5 C6 C7 -178.2(9) . .
C4 C5 C6 C7 0.7(15) . .
N2 C6 C7 C8 0.3(16) . .
C5 C6 C7 C8 176.9(9) . .
C6 C7 C8 C9 -0.1(17) . .
C7 C8 C9 C10 0.9(17) . .
C8 C9 C10 N2 -2.0(16) . .
O1 C11 C12 C17 163.4(8) . .
O2 C11 C12 C17 -18.4(11) . .
O1 C11 C12 C13 -19.6(12) . .
O2 C11 C12 C13 158.6(8) . .
C17 C12 C13 C14 2.1(13) . .
C11 C12 C13 C14 -174.9(7) . .
C12 C13 C14 C15 -1.9(14) . .
C12 C13 C14 Cl1 176.6(7) . .
C13 C14 C15 C16 0.3(13) . .
Cl1 C14 C15 C16 -178.3(6) . .
C14 C15 C16 C17 1.2(12) . .
C14 C15 C16 Cl2 -177.1(6) . .
C13 C12 C17 C16 -0.7(12) . .
C11 C12 C17 C16 176.3(7) . .
C15 C16 C17 C12 -0.9(12) . .
Cl2 C16 C17 C12 177.4(6) . .
O3 C18 C19 C20 -18.2(12) . .
O4 C18 C19 C20 160.1(8) . .
Ni1 C18 C19 C20 -35(3) . .
O3 C18 C19 C24 162.1(8) . .
O4 C18 C19 C24 -19.6(12) . .
Ni1 C18 C19 C24 146(2) . .
C24 C19 C20 C21 2.5(13) . .
C18 C19 C20 C21 -177.2(8) . .
C19 C20 C21 C22 -3.2(14) . .
C19 C20 C21 Cl3 176.9(7) . .
C20 C21 C22 C23 1.8(15) . .
Cl3 C21 C22 C23 -178.3(8) . .
C21 C22 C23 C24 0.4(15) . .
C21 C22 C23 Cl4 179.0(7) . .
C22 C23 C24 C19 -1.1(15) . .
Cl4 C23 C24 C19 -179.7(7) . .
C20 C19 C24 C23 -0.4(14) . .
C18 C19 C24 C23 179.3(8) . .
O5 C25 C26 C31 15.5(12) . .
O6 C25 C26 C31 -165.6(8) . .
O5 C25 C26 C27 -164.5(8) . .
O6 C25 C26 C27 14.4(11) . .
C31 C26 C27 C28 -1.4(12) . .
C25 C26 C27 C28 178.7(7) . .
C26 C27 C28 C29 1.3(13) . .
C26 C27 C28 Cl6 -178.9(6) . .
C27 C28 C29 C30 -0.3(13) . .
Cl6 C28 C29 C30 179.8(7) . .
C28 C29 C30 C31 -0.7(14) . .
C28 C29 C30 Cl5 177.0(7) . .
C27 C26 C31 C30 0.4(13) . .
C25 C26 C31 C30 -179.6(8) . .
C29 C30 C31 C26 0.7(13) . .
Cl5 C30 C31 C26 -177.0(7) . .
O8 C32 C33 C34 -23.1(12) . .
O7 C32 C33 C34 157.6(9) 3_557 .
O8 C32 C33 C38 158.3(8) . .
O7 C32 C33 C38 -21.0(12) 3_557 .
C38 C33 C34 C35 0.5(15) . .
C32 C33 C34 C35 -178.1(9) . .
C33 C34 C35 C36 -0.8(17) . .
C33 C34 C35 Cl8 -177.9(8) . .
C34 C35 C36 C37 0.3(19) . .
Cl8 C35 C36 C37 177.4(9) . .
C35 C36 C37 C38 0.4(17) . .
C35 C36 C37 Cl7 -178.2(9) . .
C36 C37 C38 C33 -0.7(15) . .
Cl7 C37 C38 C33 177.9(7) . .
C34 C33 C38 C37 0.2(14) . .
C32 C33 C38 C37 178.8(8) . .
O9 C39 C40 C45 -177.9(7) . .
O10 C39 C40 C45 3.4(12) . .
O9 C39 C40 C41 3.5(12) . .
O10 C39 C40 C41 -175.2(7) . .
C45 C40 C41 C42 -0.6(13) . .
C39 C40 C41 C42 178.0(8) . .
C40 C41 C42 C43 -0.6(14) . .
C40 C41 C42 Cl9 178.6(6) . .
C41 C42 C43 C44 1.8(14) . .
Cl9 C42 C43 C44 -177.5(7) . .
C42 C43 C44 C45 -1.8(14) . .
C42 C43 C44 Cl10 179.9(7) . .
C43 C44 C45 C40 0.7(13) . .
Cl10 C44 C45 C40 178.9(6) . .
C41 C40 C45 C44 0.6(12) . .
C39 C40 C45 C44 -178.1(8) . .
C4 C5 N1 C1 -2.3(12) . .
C6 C5 N1 C1 176.7(7) . .
C4 C5 N1 Ni1 -179.5(7) . .
C6 C5 N1 Ni1 -0.5(9) . .
C2 C1 N1 C5 0.8(12) . .
C2 C1 N1 Ni1 177.8(6) . .
C9 C10 N2 C6 2.2(13) . .
C9 C10 N2 Ni1 -178.6(7) . .
C7 C6 N2 C10 -1.3(13) . .
C5 C6 N2 C10 -178.2(7) . .
C7 C6 N2 Ni1 179.3(7) . .
C5 C6 N2 Ni1 2.5(9) . .
C5 N1 Ni1 O10 -177.0(6) . .
C1 N1 Ni1 O10 5.9(6) . .
C5 N1 Ni1 O1 88.5(6) . .
C1 N1 Ni1 O1 -88.7(6) . .
C5 N1 Ni1 O3 -86.6(6) . .
C1 N1 Ni1 O3 96.3(6) . .
C5 N1 Ni1 N2 1.4(6) . .
C1 N1 Ni1 N2 -175.7(6) . .
C5 N1 Ni1 O4 -58.1(8) . .
C1 N1 Ni1 O4 124.8(6) . .
C5 N1 Ni1 C18 -75.7(6) . .
C1 N1 Ni1 C18 107.2(6) . .
C10 N2 Ni1 O1 90.4(7) . .
C6 N2 Ni1 O1 -90.4(6) . .
C10 N2 Ni1 N1 178.6(8) . .
C6 N2 Ni1 N1 -2.1(6) . .
C10 N2 Ni1 O3 -81.9(7) . .
C6 N2 Ni1 O3 97.3(6) . .
C10 N2 Ni1 O4 -26.0(7) . .
C6 N2 Ni1 O4 153.2(6) . .
C10 N2 Ni1 C18 -54.5(7) . .
C6 N2 Ni1 C18 124.8(6) . .
O3 C18 Ni1 O10 77.7(6) . .
O4 C18 Ni1 O10 -96.6(5) . .
C19 C18 Ni1 O10 97(3) . .
O3 C18 Ni1 O1 -175.9(5) . .
O4 C18 Ni1 O1 9.8(7) . .
C19 C18 Ni1 O1 -157(2) . .
O3 C18 Ni1 N1 -23.6(7) . .
O4 C18 Ni1 N1 162.1(4) . .
C19 C18 Ni1 N1 -4(3) . .
O4 C18 Ni1 O3 -174.3(8) . .
C19 C18 Ni1 O3 19(2) . .
O3 C18 Ni1 N2 -97.6(6) . .
O4 C18 Ni1 N2 88.1(5) . .
C19 C18 Ni1 N2 -78(3) . .
O3 C18 Ni1 O4 174.3(8) . .
C19 C18 Ni1 O4 -166(3) . .
O2 C11 O1 Ni1 -22.7(10) . .
C12 C11 O1 Ni1 155.5(6) . .
O10 Ni1 O1 C11 105.9(6) . .
N1 Ni1 O1 C11 -158.4(6) . .
N2 Ni1 O1 C11 -78.8(6) . .
O4 Ni1 O1 C11 4.4(6) . .
C18 Ni1 O1 C11 -0.8(8) . .
O1 C11 O2 La1 -38(2) . .
C12 C11 O2 La1 143.9(13) . .
O8 La1 O2 C11 -62.2(16) . .
O9 La1 O2 C11 6.8(15) . .
O6 La1 O2 C11 86.9(16) 3_557 .
O7 La1 O2 C11 154.1(15) . .
O5 La1 O2 C11 -121.1(16) . .
O4 La1 O2 C11 79.9(15) . .
O6 La1 O2 C11 -143.7(15) . .
La1 La1 O2 C11 -165.0(14) 3_557 .
O4 C18 O3 Ni1 6.6(10) . .
C19 C18 O3 Ni1 -175.2(6) . .
O10 Ni1 O3 C18 -103.6(6) . .
N1 Ni1 O3 C18 160.6(6) . .
N2 Ni1 O3 C18 81.3(6) . .
O4 Ni1 O3 C18 -3.3(5) . .
O3 C18 O4 Ni1 -5.2(8) . .
C19 C18 O4 Ni1 176.6(7) . .
O3 C18 O4 La1 86.8(14) . .
C19 C18 O4 La1 -91.4(13) . .
Ni1 C18 O4 La1 92.0(11) . .
O10 Ni1 O4 C18 87.0(5) . .
O1 Ni1 O4 C18 -173.6(5) . .
N1 Ni1 O4 C18 -31.4(7) . .
O3 Ni1 O4 C18 3.2(5) . .
N2 Ni1 O4 C18 -89.6(5) . .
O10 Ni1 O4 La1 -63.7(2) . .
O1 Ni1 O4 La1 35.7(3) . .
N1 Ni1 O4 La1 177.9(4) . .
O3 Ni1 O4 La1 -147.5(3) . .
N2 Ni1 O4 La1 119.7(3) . .
C18 Ni1 O4 La1 -150.7(6) . .
O2 La1 O4 C18 -121.6(12) . .
O8 La1 O4 C18 11.1(13) . .
O9 La1 O4 C18 -32.1(12) . .
O6 La1 O4 C18 61.2(12) 3_557 .
O7 La1 O4 C18 146.7(12) . .
O5 La1 O4 C18 -156.7(11) . .
O6 La1 O4 C18 124.4(12) . .
La1 La1 O4 C18 88.9(12) 3_557 .
O2 La1 O4 Ni1 -35.9(2) . .
O8 La1 O4 Ni1 96.8(3) . .
O9 La1 O4 Ni1 53.6(2) . .
O6 La1 O4 Ni1 146.9(2) 3_557 .
O7 La1 O4 Ni1 -127.6(2) . .
O5 La1 O4 Ni1 -71.0(4) . .
O6 La1 O4 Ni1 -149.92(19) . .
La1 La1 O4 Ni1 174.56(11) 3_557 .
O6 C25 O5 La1 -14.4(9) . .
C26 C25 O5 La1 164.5(6) . .
O2 La1 O5 C25 -145.1(6) . .
O8 La1 O5 C25 78.5(5) . .
O9 La1 O5 C25 142.4(5) . .
O6 La1 O5 C25 21.5(6) 3_557 .
O7 La1 O5 C25 -55.8(5) . .
O4 La1 O5 C25 -109.6(5) . .
O6 La1 O5 C25 7.4(5) . .
La1 La1 O5 C25 14.2(5) 3_557 .
O5 C25 O6 La1 12.6(8) . .
C26 C25 O6 La1 -166.3(7) . .
O2 La1 O6 C25 22.7(5) . .
O8 La1 O6 C25 -100.0(5) . .
O9 La1 O6 C25 -100.0(5) . .
O6 La1 O6 C25 -175.6(6) 3_557 .
O7 La1 O6 C25 97.3(5) . .
O5 La1 O6 C25 -7.0(4) . .
O4 La1 O6 C25 120.8(5) . .
La1 La1 O6 C25 -175.6(6) 3_557 .
O2 La1 O6 La1 -161.71(18) . 3_557
O8 La1 O6 La1 75.5(2) . 3_557
O9 La1 O6 La1 75.6(3) . 3_557
O6 La1 O6 La1 0.0 3_557 3_557
O7 La1 O6 La1 -87.2(2) . 3_557
O5 La1 O6 La1 168.5(3) . 3_557
O4 La1 O6 La1 -63.7(3) . 3_557
O2 La1 O7 C32 -176.3(8) . 3_557
O8 La1 O7 C32 41.9(8) . 3_557
O9 La1 O7 C32 -98.3(8) . 3_557
O6 La1 O7 C32 -18.0(7) 3_557 3_557
O5 La1 O7 C32 109.7(8) . 3_557
O4 La1 O7 C32 -100.5(8) . 3_557
O6 La1 O7 C32 63.3(7) . 3_557
La1 La1 O7 C32 24.5(7) 3_557 3_557
O7 C32 O8 La1 16.8(16) 3_557 .
C33 C32 O8 La1 -162.4(6) . .
O2 La1 O8 C32 -171.9(9) . .
O9 La1 O8 C32 115.1(10) . .
O6 La1 O8 C32 20.4(10) 3_557 .
O7 La1 O8 C32 -43.7(11) . .
O5 La1 O8 C32 -114.5(10) . .
O4 La1 O8 C32 72.9(11) . .
O6 La1 O8 C32 -65.0(10) . .
La1 La1 O8 C32 -25.5(9) 3_557 .
O10 C39 O9 La1 18.0(18) . .
C40 C39 O9 La1 -160.7(9) . .
O2 La1 O9 C39 18.6(13) . .
O8 La1 O9 C39 149.6(13) . .
O6 La1 O9 C39 -138.3(13) 3_557 .
O7 La1 O9 C39 -60.1(14) . .
O5 La1 O9 C39 85.4(13) . .
O4 La1 O9 C39 -57.9(12) . .
O6 La1 O9 C39 149.5(11) . .
La1 La1 O9 C39 -166.5(12) 3_557 .
O9 C39 O10 Ni1 5.2(12) . .
C40 C39 O10 Ni1 -176.1(5) . .
O1 Ni1 O10 C39 -91.7(7) . .
N1 Ni1 O10 C39 -179.8(7) . .
O3 Ni1 O10 C39 80.9(7) . .
O4 Ni1 O10 C39 25.4(7) . .
C18 Ni1 O10 C39 53.9(7) . .
