#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:09:43 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185171 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/40/7224073.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_7224073
loop_
_publ_author_name
'Zhang, Han'
'Yan, Zhi-Hao'
'Luo, Yun'
'Zheng, Xiu-Ying'
'Kong, Xiang-Jian'
'Long, La-Sheng'
'Zheng, Lan-Sun'
_publ_section_title
;
 Anion-controlled assembly of a series of heterometallic 3d--4f compounds
 with 0D cluster, 1D chain, 2D network and 3D frameworks
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4142
_journal_paper_doi               10.1039/C5CE02503F
_journal_volume                  18
_journal_year                    2016
_chemical_formula_sum            'C168 H432 Cl18 La12 N24 Ni15 O276'
_chemical_formula_weight         10391.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccszw6t
_audit_creation_method           SHELXL-97
_audit_update_record
;
2009-08-18 deposited with the CCDC.
2016-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            1
_cell_length_a                   21.0408(13)
_cell_length_b                   21.0408(13)
_cell_length_c                   21.0408(13)
_cell_measurement_reflns_used    8408
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.22
_cell_measurement_theta_min      2.16
_cell_volume                     9315.1(10)
_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      173(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0137
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            65636
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.37
_exptl_absorpt_coefficient_mu    2.332
_exptl_absorpt_correction_T_max  0.5933
_exptl_absorpt_correction_T_min  0.5933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.852
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5226
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.245
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     169
_refine_ls_number_reflns         1651
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0966P)²+86.5993P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1716
_refine_ls_wR_factor_ref         0.1724
_reflns_number_gt                1621
_reflns_number_total             1651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce02503f2.cif
_cod_data_source_block           complex1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according
to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7224073--7224079.cif.
;
_cod_original_sg_symbol_H-M      Pm-3m
_cod_database_code               7224073
_platon_complex1_details
;
SQUEEZE removed 4 disordered ClO4- anions and 30 disordered water molecules
per formula unit. This valueis calculated based upon elemental analysis
data.
;
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x, y, -z'
'x, -y, -z'
'z, x, y'
'z, -x, -y'
'-z, -x, y'
'-z, x, -y'
'y, z, x'
'-y, z, -x'
'y, -z, -x'
'-y, -z, x'
'y, x, -z'
'-y, -x, -z'
'y, -x, z'
'-y, x, z'
'x, z, -y'
'-x, z, y'
'-x, -z, -y'
'x, -z, y'
'z, y, -x'
'z, -y, x'
'-z, y, x'
'-z, -y, -x'
'-x, -y, -z'
'x, y, -z'
'x, -y, z'
'-x, y, z'
'-z, -x, -y'
'-z, x, y'
'z, x, -y'
'z, -x, y'
'-y, -z, -x'
'y, -z, x'
'-y, z, x'
'y, z, -x'
'-y, -x, z'
'y, x, z'
'-y, x, -z'
'y, -x, -z'
'-x, -z, y'
'x, -z, -y'
'x, z, y'
'-x, z, -y'
'-z, -y, x'
'-z, y, -x'
'z, -y, -x'
'z, y, x'
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_group
La1 La 0.5000 0.20644(2) -0.20644(2) 0.03567(15) Uani 1 4 d S .
Ni1 Ni 0.32548(5) 0.32548(5) 0.0000 0.0399(3) Uani 1 4 d S .
Ni2 Ni 0.5000 0.5000 0.0000 0.0317(5) Uani 1 16 d SD .
Cl1 Cl 0.21739(8) 0.21739(8) 0.21739(8) 0.0429(6) Uani 1 6 d S .
Cl2 Cl 0.3885(2) 0.0000 0.0000 0.0628(11) Uani 1 8 d S .
N1 N 0.3222(3) 0.2296(3) 0.0000 0.078(3) Uani 1 2 d S .
C1 C 0.3518(6) 0.1981(5) -0.0444(5) 0.053(3) Uani 0.466(4) 1 d P 1
H1A H 0.3227 0.1665 -0.0637 0.064 Uiso 0.466(4) 1 calc PR 1
H1B H 0.3884 0.1750 -0.0259 0.064 Uiso 0.466(4) 1 calc PR 1
C2 C 0.3742(4) 0.2427(6) -0.0933(5) 0.041(3) Uani 0.466(4) 1 d P 1
O1 O 0.4061(3) 0.2197(4) -0.1354(3) 0.052(2) Uani 0.466(4) 1 d P 1
O2 O 0.3572(4) 0.3000(4) -0.0877(3) 0.048(2) Uani 0.466(4) 1 d P 1
C1' C 0.3606(7) 0.2194(6) -0.0724(5) 0.058(4) Uani 0.534(4) 1 d P 2
H1'A H 0.3756 0.1751 -0.0770 0.070 Uiso 0.534(4) 1 calc PR 2
H1'B H 0.3315 0.2293 -0.1080 0.070 Uiso 0.534(4) 1 calc PR 2
C2' C 0.4167(5) 0.2654(5) -0.0718(5) 0.054(3) Uani 0.534(4) 1 d P 2
O1' O 0.4610(4) 0.2543(5) -0.1097(5) 0.089(3) Uani 0.534(4) 1 d P 2
O2' O 0.4149(3) 0.3124(4) -0.0367(3) 0.062(2) Uani 0.534(4) 1 d P 2
C3 C 0.2529(5) 0.2146(5) -0.0245(4) 0.042(2) Uani 0.50 1 d P .
C4 C 0.2371(7) 0.1431(5) -0.0221(5) 0.067(4) Uani 0.50 1 d P .
C5 C 0.1660(6) 0.1324(7) -0.0299(6) 0.078(4) Uani 0.50 1 d P .
O3W O 0.5000 0.1158(3) -0.1158(3) 0.069(2) Uani 1 4 d S .
O2W O 0.5000 0.2231(5) -0.3292(4) 0.110(3) Uani 1 2 d S .
O1W O 0.3933(4) 0.2493(3) -0.2493(3) 0.177(4) Uani 1 2 d S .
O3 O 0.2548(5) 0.1789(4) 0.1789(4) 0.148(4) Uani 1 2 d S .
O4 O 0.2543(8) 0.2543(8) 0.2543(8) 0.308(14) Uani 1 6 d S .
O5 O 0.3270(15) 0.0000 0.0000 0.231(18) Uani 1 8 d S .
O6 O 0.4092(10) 0.0398(5) -0.0398(5) 0.243(8) Uani 0.75 2 d SP .
O5W O 0.5000 0.6023(9) -0.0635(9) 0.116(6) Uani 0.50 2 d SP .
O5W' O 0.5000 0.6116(16) 0.0000 0.065(10) Uani 0.25 4 d SP .
O4W O 0.5000 0.5000 0.1066(4) 0.18(2) Uiso 0.50 8 d SPD .
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'
Cl Cl 0.1484 0.1585 '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'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1002/chem.200903430 2010
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' La1 O1' 144.9(5) 28_655 42
O1' La1 O1' 39.7(4) 28_655 .
O1' La1 O1' 126.0(5) 42 .
O1' La1 O1' 126.0(5) 28_655 19_655
O1' La1 O1' 39.7(4) 42 19_655
O1' La1 O1' 144.9(5) . 19_655
O1' La1 O1 127.8(3) 28_655 42
O1' La1 O1 34.8(3) 42 42
O1' La1 O1 94.3(3) . 42
O1' La1 O1 73.6(3) 19_655 42
O1' La1 O1 34.8(3) 28_655 28_655
O1' La1 O1 127.8(3) 42 28_655
O1' La1 O1 73.6(3) . 28_655
O1' La1 O1 94.3(3) 19_655 28_655
O1 La1 O1 139.6(4) 42 28_655
O1' La1 O1 73.6(3) 28_655 .
O1' La1 O1 94.3(3) 42 .
O1' La1 O1 34.8(3) . .
O1' La1 O1 127.8(3) 19_655 .
O1 La1 O1 60.4(4) 42 .
O1 La1 O1 104.8(3) 28_655 .
O1' La1 O1 94.3(3) 28_655 19_655
O1' La1 O1 73.6(3) 42 19_655
O1' La1 O1 127.8(3) . 19_655
O1' La1 O1 34.8(3) 19_655 19_655
O1 La1 O1 104.8(3) 42 19_655
O1 La1 O1 60.4(4) 28_655 19_655
O1 La1 O1 139.6(4) . 19_655
O1' La1 O1W 116.4(2) 28_655 .
O1' La1 O1W 81.6(2) 42 .
O1' La1 O1W 81.6(2) . .
O1' La1 O1W 116.4(2) 19_655 .
O1 La1 O1W 58.7(2) 42 .
O1 La1 O1W 149.25(19) 28_655 .
O1 La1 O1W 58.7(2) . .
O1 La1 O1W 149.25(19) 19_655 .
O1' La1 O1W 81.6(2) 28_655 28_655
O1' La1 O1W 116.4(2) 42 28_655
O1' La1 O1W 116.4(2) . 28_655
O1' La1 O1W 81.6(2) 19_655 28_655
O1 La1 O1W 149.25(19) 42 28_655
O1 La1 O1W 58.7(2) 28_655 28_655
O1 La1 O1W 149.25(19) . 28_655
O1 La1 O1W 58.7(2) 19_655 28_655
O1W La1 O1W 120.9(4) . 28_655
O1' La1 O2W 141.2(3) 28_655 .
O1' La1 O2W 72.5(3) 42 .
O1' La1 O2W 141.2(3) . .
O1' La1 O2W 72.5(3) 19_655 .
O1 La1 O2W 88.3(2) 42 .
O1 La1 O2W 125.41(18) 28_655 .
O1 La1 O2W 125.41(18) . .
O1 La1 O2W 88.3(2) 19_655 .
O1W La1 O2W 66.89(17) . .
O1W La1 O2W 66.89(17) 28_655 .
O1' La1 O2W 72.5(3) 28_655 42
O1' La1 O2W 141.2(3) 42 42
O1' La1 O2W 72.5(3) . 42
O1' La1 O2W 141.2(3) 19_655 42
O1 La1 O2W 125.41(18) 42 42
O1 La1 O2W 88.3(2) 28_655 42
O1 La1 O2W 88.3(2) . 42
O1 La1 O2W 125.41(18) 19_655 42
O1W La1 O2W 66.89(17) . 42
O1W La1 O2W 66.89(17) 28_655 42
O2W La1 O2W 74.6(4) . 42
N1 Ni1 N1 86.1(4) 13 .
N1 Ni1 O2 75.4(2) 13 13
N1 Ni1 O2 108.6(2) . 13
N1 Ni1 O2 108.6(2) 13 26
N1 Ni1 O2 75.4(2) . 26
O2 Ni1 O2 49.5(4) 13 26
N1 Ni1 O2 108.6(2) 13 .
N1 Ni1 O2 75.4(2) . .
O2 Ni1 O2 174.8(5) 13 .
O2 Ni1 O2 130.2(4) 26 .
N1 Ni1 O2 75.4(2) 13 38
N1 Ni1 O2 108.6(2) . 38
O2 Ni1 O2 130.2(4) 13 38
O2 Ni1 O2 174.8(5) 26 38
O2 Ni1 O2 49.5(4) . 38
N1 Ni1 O2' 84.1(3) 13 13
N1 Ni1 O2' 155.8(2) . 13
O2 Ni1 O2' 47.4(3) 13 13
O2 Ni1 O2' 86.9(3) 26 13
O2 Ni1 O2' 128.8(3) . 13
O2 Ni1 O2' 90.3(3) 38 13
N1 Ni1 O2' 155.8(2) 13 26
N1 Ni1 O2' 84.1(3) . 26
O2 Ni1 O2' 86.9(3) 13 26
O2 Ni1 O2' 47.4(3) 26 26
O2 Ni1 O2' 90.3(3) . 26
O2 Ni1 O2' 128.8(3) 38 26
O2' Ni1 O2' 96.0(5) 13 26
N1 Ni1 O2' 155.8(2) 13 .
N1 Ni1 O2' 84.1(3) . .
O2 Ni1 O2' 128.8(3) 13 .
O2 Ni1 O2' 90.3(3) 26 .
O2 Ni1 O2' 47.4(3) . .
O2 Ni1 O2' 86.9(3) 38 .
O2' Ni1 O2' 112.8(5) 13 .
O2' Ni1 O2' 44.2(4) 26 .
N1 Ni1 O2' 84.1(3) 13 38
N1 Ni1 O2' 155.8(2) . 38
O2 Ni1 O2' 90.3(3) 13 38
O2 Ni1 O2' 128.8(3) 26 38
O2 Ni1 O2' 86.9(3) . 38
O2 Ni1 O2' 47.4(3) 38 38
O2' Ni1 O2' 44.2(4) 13 38
O2' Ni1 O2' 112.8(5) 26 38
O2' Ni1 O2' 96.0(5) . 38
O4W Ni2 O4W 180.0 . 25_665
O4W Ni2 O5W' 90.000(2) . 37_665
O4W Ni2 O5W' 90.000(2) 25_665 37_665
O4W Ni2 O5W' 90.0 . .
O4W Ni2 O5W' 90.0 25_665 .
O5W' Ni2 O5W' 90.000(2) 37_665 .
O4W Ni2 O5W' 90.0 . 25_665
O4W Ni2 O5W' 90.0 25_665 25_665
O5W' Ni2 O5W' 90.000(2) 37_665 25_665
O5W' Ni2 O5W' 180.000(1) . 25_665
O4W Ni2 O5W' 90.000(1) . 13
O4W Ni2 O5W' 90.000(1) 25_665 13
O5W' Ni2 O5W' 180.0 37_665 13
O5W' Ni2 O5W' 90.0 . 13
O5W' Ni2 O5W' 90.0 25_665 13
O4 Cl1 O3 110.2(5) . 9
O4 Cl1 O3 110.2(5) . .
O3 Cl1 O3 108.7(5) 9 .
O4 Cl1 O3 110.2(5) . 5
O3 Cl1 O3 108.7(5) 9 5
O3 Cl1 O3 108.7(5) . 5
O6 Cl2 O6 83.2(6) 26 4
O6 Cl2 O6 83.2(6) 26 .
O6 Cl2 O6 139.8(19) 4 .
O6 Cl2 O6 139.8(19) 26 27
O6 Cl2 O6 83.2(6) 4 27
O6 Cl2 O6 83.2(6) . 27
O6 Cl2 O5 110.1(9) 26 .
O6 Cl2 O5 110.1(9) 4 .
O6 Cl2 O5 110.1(9) . .
O6 Cl2 O5 110.1(9) 27 .
C1 N1 C1 91.5(11) 26 .
C1 N1 C3 96.0(7) 26 26
C1 N1 C3 125.0(8) . 26
C1 N1 C3 125.0(8) 26 .
C1 N1 C3 96.0(7) . .
C3 N1 C3 38.1(7) 26 .
C1 N1 C1' 24.1(6) 26 26
C1 N1 C1' 110.1(8) . 26
C3 N1 C1' 96.8(6) 26 26
C3 N1 C1' 133.7(6) . 26
C1 N1 C1' 110.1(8) 26 .
C1 N1 C1' 24.1(6) . .
C3 N1 C1' 133.7(6) 26 .
C3 N1 C1' 96.8(6) . .
C1' N1 C1' 122.5(9) 26 .
C1 N1 Ni1 119.5(6) 26 .
C1 N1 Ni1 119.5(6) . .
C3 N1 Ni1 103.3(5) 26 .
C3 N1 Ni1 103.3(5) . .
C1' N1 Ni1 96.2(5) 26 .
C1' N1 Ni1 96.2(5) . .
N1 C1 C2 109.2(9) . .
N1 C1 C1 44.2(5) . 26
C2 C1 C1 134.4(6) . 26
O1 C2 O2 127.4(11) . .
O1 C2 C1 115.6(11) . .
O2 C2 C1 116.9(9) . .
C2 O1 La1 157.2(8) . .
C2 O2 O2 151.0(6) . 38
C2 O2 Ni1 115.5(6) . .
O2 O2 Ni1 65.2(2) 38 .
C2' C1' N1 105.9(8) . .
O2' C2' O1' 123.7(10) . .
O2' C2' C1' 119.3(9) . .
O1' C2' C1' 116.9(10) . .
C2' O1' O1' 138.3(7) . 28_655
C2' O1' La1 150.4(8) . .
O1' O1' La1 70.1(2) 28_655 .
C2' O2' O2' 126.8(6) . 26
C2' O2' Ni1 111.1(7) . .
O2' O2' Ni1 67.9(2) 26 .
C3 C3 C3 90.000(1) 26 38
C3 C3 C3 47.8(7) 26 13
C3 C3 C3 42.2(7) 38 13
C3 C3 C4 88.1(5) 26 .
C3 C3 C4 122.5(7) 38 .
C3 C3 C4 112.1(7) 13 .
C3 C3 N1 70.9(3) 26 .
C3 C3 N1 120.8(4) 38 .
C3 C3 N1 99.2(6) 13 .
C4 C3 N1 112.6(9) . .
C3 C3 C4 57.5(4) 26 26
C3 C3 C4 117.0(6) 38 26
C3 C3 C4 88.6(7) 13 26
C4 C3 C4 30.6(7) . 26
N1 C3 C4 99.1(7) . 26
C4 C4 C5 96.2(6) 26 .
C4 C4 C3 91.9(5) 26 .
C5 C4 C3 110.8(11) . .
C4 C4 C3 57.5(4) 26 26
C5 C4 C3 111.1(10) . 26
C3 C4 C3 34.4(6) . 26
C4 C4 C5 54.1(6) 26 26
C5 C4 C5 42.1(10) . 26
C3 C4 C5 108.1(9) . 26
C3 C4 C5 86.1(7) 26 26
C5 C5 C5 90.000(2) 38 26
C5 C5 C4 126.1(7) 38 .
C5 C5 C4 83.8(6) 26 .
C5 C5 C5 51.5(10) 38 13
C5 C5 C5 38.5(10) 26 13
C4 C5 C5 106.4(9) . 13
C5 C5 C4 118.7(6) 38 26
C5 C5 C4 54.1(6) 26 26
C4 C5 C4 29.7(7) . 26
C5 C5 C4 80.8(9) 13 26
Cl2 O6 O6 48.4(3) . 26
Cl2 O6 O6 48.4(3) . 27
O6 O6 O6 90.000(2) 26 27
O5W O5W' O5W 163(3) 26 .
O5W O5W' Ni2 81.7(17) 26 .
O5W O5W' Ni2 81.7(17) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O1' 2.414(9) 28_655
La1 O1' 2.414(9) 42
La1 O1' 2.414(9) .
La1 O1' 2.414(9) 19_655
La1 O1 2.493(7) 42
La1 O1 2.493(7) 28_655
La1 O1 2.493(7) .
La1 O1 2.493(7) 19_655
La1 O1W 2.582(9) .
La1 O1W 2.582(9) 28_655
La1 O2W 2.607(9) .
La1 O2W 2.607(9) 42
Ni1 N1 2.018(7) 13
Ni1 N1 2.018(7) .
Ni1 O2 2.034(7) 13
Ni1 O2 2.034(7) 26
Ni1 O2 2.034(7) .
Ni1 O2 2.034(7) 38
Ni1 O2' 2.052(7) 13
Ni1 O2' 2.052(7) 26
Ni1 O2' 2.052(7) .
Ni1 O2' 2.052(7) 38
Ni2 O4W 2.244(7) .
Ni2 O4W 2.244(7) 25_665
Ni2 O5W' 2.35(3) 37_665
Ni2 O5W' 2.35(3) .
Ni2 O5W' 2.35(3) 25_665
Ni2 O5W' 2.35(3) 13
Cl1 O4 1.34(3) .
Cl1 O3 1.390(10) 9
Cl1 O3 1.390(10) .
Cl1 O3 1.390(10) 5
Cl2 O6 1.262(15) 26
Cl2 O6 1.262(15) 4
Cl2 O6 1.262(15) .
Cl2 O6 1.262(15) 27
Cl2 O5 1.29(3) .
N1 C1 1.304(11) 26
N1 C1 1.304(11) .
N1 C3 1.578(12) 26
N1 C3 1.578(12) .
N1 C1' 1.737(11) 26
N1 C1' 1.737(11) .
C1 C2 1.471(16) .
C1 C1 1.87(2) 26
C2 O1 1.212(12) .
C2 O2 1.262(14) .
O2 O2 1.703(15) 38
C1' C2' 1.527(17) .
C2' O2' 1.235(13) .
C2' O1' 1.250(13) .
O1' O1' 1.640(16) 28_655
O2' O2' 1.543(14) 26
C3 C3 1.031(18) 26
C3 C3 1.139(19) 38
C3 C3 1.537(18) 13
C3 C4 1.542(15) .
C3 C4 1.827(14) 26
C4 C4 0.93(2) 26
C4 C5 1.52(2) .
C4 C3 1.827(14) 26
C4 C5 1.866(19) 26
C5 C5 1.00(3) 38
C5 C5 1.26(3) 26
C5 C5 1.61(3) 13
C5 C4 1.866(19) 26
O6 O6 1.68(2) 26
O6 O6 1.68(2) 27
O5W O5W' 1.35(2) .
O5W' O5W 1.35(2) 26
