#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:34:25 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180440 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/09/7210951.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_7210951
loop_
_publ_author_name
'Fang, Wei-Hui'
'Yang, Guo-Yu'
_publ_section_title
;
 Three pillared-layer 3d--4f heterometallic frameworks based on
 tetranuclear lanthanide clusters
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              9504
_journal_paper_doi               10.1039/c3ce41010b
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C100 H80 Cl2 Cu7 I5 La4 N8 O40'
_chemical_formula_weight         3739.61
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 106.130(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   56.020(18)
_cell_length_b                   10.073(3)
_cell_length_c                   20.970(7)
_cell_measurement_reflns_used    16647
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      2.0220
_cell_volume                     11367(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Scxmini'
_diffrn_measurement_method       CCD_Profile_fitting
_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  0.0632
_diffrn_reflns_av_sigmaI/netI    0.0780
_diffrn_reflns_limit_h_max       71
_diffrn_reflns_limit_h_min       -70
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            47133
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.76
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    4.241
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5960
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7143
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.22
_refine_diff_density_max         2.486
_refine_diff_density_min         -2.505
_refine_diff_density_rms         0.294
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     738
_refine_ls_number_reflns         12969
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0526
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1218P)²+5.8089P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1569
_refine_ls_wR_factor_ref         0.1977
_reflns_number_gt                10935
_reflns_number_total             12969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41010b.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7210951
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
La1 La 0.241515(7) 0.67143(3) 0.356195(17) 0.01572(12) Uani 1 1 d . . .
La2 La 0.272191(7) 1.04792(3) 0.352600(18) 0.01592(11) Uani 1 1 d . . .
Cu1 Cu 0.01947(2) 0.94317(15) 0.38035(9) 0.0627(4) Uani 1 1 d . . .
Cu2 Cu -0.01195(2) 1.06144(13) 0.44083(7) 0.0523(3) Uani 1 1 d . . .
Cu3 Cu 0.01981(16) 1.0432(10) 0.2380(4) 0.072(2) Uani 0.50 1 d P . .
Cu3' Cu 0.02015(14) 1.0216(9) 0.2123(4) 0.0590(15) Uani 0.50 1 d P . .
Cu4 Cu 0.0000 0.4736(2) 0.2500 0.0678(6) Uani 1 2 d S . .
I1 I -0.005000(12) 0.80094(6) 0.44481(3) 0.04609(18) Uani 1 1 d . . .
I2 I 0.007794(11) 1.19807(6) 0.35492(3) 0.04178(16) Uani 1 1 d . . .
I3 I 0.0000 0.81303(8) 0.2500 0.0429(2) Uani 1 2 d S . .
C1 C 0.21268(13) 0.7721(8) 0.4807(3) 0.0268(15) Uani 1 1 d . . .
C2 C 0.18533(13) 0.7994(7) 0.4695(4) 0.0248(14) Uani 1 1 d . . .
C3 C 0.17741(15) 0.9188(8) 0.4870(4) 0.0322(16) Uani 1 1 d . . .
H3A H 0.1890 0.9832 0.5069 0.039 Uiso 1 1 calc R . .
C4 C 0.16843(15) 0.6986(8) 0.4443(4) 0.0324(17) Uani 1 1 d . . .
H4A H 0.1739 0.6166 0.4336 0.039 Uiso 1 1 calc R . .
C5 C 0.15190(15) 0.9449(8) 0.4752(4) 0.0338(18) Uani 1 1 d . . .
H5A H 0.1466 1.0287 0.4841 0.041 Uiso 1 1 calc R . .
C6 C 0.14303(13) 0.7222(7) 0.4352(4) 0.0286(16) Uani 1 1 d . . .
H6A H 0.1316 0.6549 0.4189 0.034 Uiso 1 1 calc R . .
C7 C 0.13469(14) 0.8467(8) 0.4505(4) 0.0306(16) Uani 1 1 d . . .
C8 C 0.10751(14) 0.8703(8) 0.4379(4) 0.0291(15) Uani 1 1 d . . .
C9 C 0.09772(16) 0.9936(11) 0.4263(5) 0.048(2) Uani 1 1 d . . .
H9A H 0.1080 1.0668 0.4284 0.057 Uiso 1 1 calc R . .
C10 C 0.09096(17) 0.7678(11) 0.4371(6) 0.051(3) Uani 1 1 d . . .
H10A H 0.0970 0.6822 0.4474 0.062 Uiso 1 1 calc R . .
C11 C 0.07233(17) 1.0097(10) 0.4113(5) 0.045(2) Uani 1 1 d . . .
H11A H 0.0663 1.0956 0.4023 0.054 Uiso 1 1 calc R . .
C12 C 0.06535(17) 0.7908(11) 0.4211(6) 0.054(3) Uani 1 1 d . . .
H12A H 0.0544 0.7204 0.4189 0.065 Uiso 1 1 calc R . .
C13 C 0.29458(13) 0.6994(7) 0.3537(4) 0.0224(14) Uani 1 1 d . . .
C14 C 0.32165(13) 0.6888(6) 0.3609(4) 0.0221(14) Uani 1 1 d . . .
C15 C 0.33128(14) 0.5620(7) 0.3539(4) 0.0305(17) Uani 1 1 d . . .
H15A H 0.3207 0.4897 0.3414 0.037 Uiso 1 1 calc R . .
C16 C 0.33787(14) 0.7958(7) 0.3776(4) 0.0308(17) Uani 1 1 d . . .
H16A H 0.3317 0.8799 0.3821 0.037 Uiso 1 1 calc R . .
C17 C 0.35655(14) 0.5462(7) 0.3659(4) 0.0304(17) Uani 1 1 d . . .
H17A H 0.3629 0.4622 0.3622 0.036 Uiso 1 1 calc R . .
C18 C 0.36306(14) 0.7779(8) 0.3876(4) 0.0342(18) Uani 1 1 d . . .
H18A H 0.3736 0.8509 0.3974 0.041 Uiso 1 1 calc R . .
C19 C 0.37287(14) 0.6537(8) 0.3833(4) 0.0293(16) Uani 1 1 d . . .
C20 C 0.39982(14) 0.6325(9) 0.3963(4) 0.0308(16) Uani 1 1 d . . .
C21 C 0.41013(17) 0.5087(10) 0.4116(6) 0.050(3) Uani 1 1 d . . .
H21A H 0.4002 0.4366 0.4149 0.060 Uiso 1 1 calc R . .
C22 C 0.41611(18) 0.7325(11) 0.3940(7) 0.067(4) Uani 1 1 d . . .
H22A H 0.4098 0.8171 0.3822 0.080 Uiso 1 1 calc R . .
C23 C 0.43554(17) 0.4919(11) 0.4219(6) 0.054(3) Uani 1 1 d . . .
H23A H 0.4420 0.4067 0.4308 0.064 Uiso 1 1 calc R . .
C24 C 0.4411(2) 0.7138(12) 0.4081(8) 0.071(4) Uani 1 1 d . . .
H24A H 0.4514 0.7866 0.4097 0.085 Uiso 1 1 calc R . .
C25 C 0.21601(13) 1.0143(6) 0.3298(3) 0.0209(13) Uani 1 1 d . . .
C26 C 0.18858(13) 1.0147(7) 0.3161(4) 0.0246(14) Uani 1 1 d . . .
C27 C 0.17472(14) 0.8967(7) 0.3120(4) 0.0284(15) Uani 1 1 d . . .
H27A H 0.1829 0.8154 0.3188 0.034 Uiso 1 1 calc R . .
C28 C 0.17602(14) 1.1344(7) 0.3079(4) 0.0311(17) Uani 1 1 d . . .
H28A H 0.1850 1.2130 0.3115 0.037 Uiso 1 1 calc R . .
C29 C 0.14883(15) 0.9001(8) 0.2980(4) 0.0309(16) Uani 1 1 d . . .
H29A H 0.1399 0.8211 0.2935 0.037 Uiso 1 1 calc R . .
C30 C 0.15023(15) 1.1402(8) 0.2943(5) 0.0374(19) Uani 1 1 d . . .
H30A H 0.1422 1.2218 0.2876 0.045 Uiso 1 1 calc R . .
C31 C 0.13629(13) 1.0209(7) 0.2907(4) 0.0249(14) Uani 1 1 d . . .
C32 C 0.10891(14) 1.0240(8) 0.2755(4) 0.0290(15) Uani 1 1 d . . .
C33 C 0.09465(17) 0.9138(10) 0.2611(6) 0.055(3) Uani 1 1 d . . .
H33A H 0.1023 0.8322 0.2598 0.066 Uiso 1 1 calc R . .
C34 C 0.09561(18) 1.1410(10) 0.2748(7) 0.066(4) Uani 1 1 d . . .
H34A H 0.1039 1.2218 0.2845 0.079 Uiso 1 1 calc R . .
C35 C 0.06888(16) 0.9184(11) 0.2482(7) 0.060(3) Uani 1 1 d . . .
H35A H 0.0600 0.8392 0.2401 0.072 Uiso 1 1 calc R . .
C36 C 0.06991(18) 1.1359(12) 0.2594(9) 0.084(5) Uani 1 1 d . . .
H36A H 0.0616 1.2162 0.2579 0.100 Uiso 1 1 calc R . .
C37 C 0.18470(13) 0.5899(7) 0.2366(4) 0.0275(15) Uani 1 1 d . . .
C38 C 0.15834(12) 0.5724(7) 0.2363(4) 0.0221(13) Uani 1 1 d . . .
C39 C 0.13877(13) 0.6107(8) 0.1827(4) 0.0303(16) Uani 1 1 d . . .
H39A H 0.1421 0.6463 0.1452 0.036 Uiso 1 1 calc R . .
C40 C 0.15251(14) 0.5186(8) 0.2907(4) 0.0297(16) Uani 1 1 d . . .
H40A H 0.1652 0.4932 0.3277 0.036 Uiso 1 1 calc R . .
C41 C 0.11461(15) 0.5966(9) 0.1845(4) 0.0346(17) Uani 1 1 d . . .
H41A H 0.1019 0.6253 0.1485 0.042 Uiso 1 1 calc R . .
C42 C 0.12793(14) 0.5022(8) 0.2905(4) 0.0311(16) Uani 1 1 d . . .
H42A H 0.1244 0.4635 0.3271 0.037 Uiso 1 1 calc R . .
C43 C 0.10876(14) 0.5416(7) 0.2377(4) 0.0279(15) Uani 1 1 d . . .
C44 C 0.08221(14) 0.5250(8) 0.2407(4) 0.0322(17) Uani 1 1 d . . .
C45 C 0.06235(15) 0.5355(10) 0.1825(6) 0.047(2) Uani 1 1 d . . .
H45A H 0.0652 0.5552 0.1419 0.056 Uiso 1 1 calc R . .
C46 C 0.07648(17) 0.5029(12) 0.2984(5) 0.048(2) Uani 1 1 d . . .
H46A H 0.0891 0.5037 0.3381 0.058 Uiso 1 1 calc R . .
C47 C 0.03833(16) 0.5154(11) 0.1878(6) 0.056(3) Uani 1 1 d . . .
H47A H 0.0252 0.5224 0.1495 0.067 Uiso 1 1 calc R . .
C48 C 0.05216(19) 0.4791(12) 0.2997(6) 0.056(3) Uani 1 1 d . . .
H48A H 0.0492 0.4575 0.3399 0.067 Uiso 1 1 calc R . .
C49 C 0.25246(12) 0.3547(6) 0.2928(3) 0.0173(12) Uani 1 1 d . . .
C50 C 0.25676(14) 0.3540(7) 0.3688(3) 0.0229(14) Uani 1 1 d . . .
O1 O 0.21773(10) 0.6925(6) 0.4388(3) 0.0345(13) Uani 1 1 d . . .
O2 O 0.22773(11) 0.8260(7) 0.5276(3) 0.0421(16) Uani 1 1 d . . .
O3 O 0.28178(9) 0.5971(5) 0.3409(3) 0.0291(11) Uani 1 1 d . . .
O4 O 0.28467(10) 0.8121(5) 0.3605(3) 0.0269(11) Uani 1 1 d . . .
O5 O 0.22789(9) 0.9023(5) 0.3390(3) 0.0273(11) Uani 1 1 d . . .
O6 O 0.22694(10) 1.1196(5) 0.3316(3) 0.0333(12) Uani 1 1 d . . .
O7 O 0.19002(10) 0.5920(6) 0.1825(3) 0.0311(12) Uani 1 1 d . . .
O8 O 0.20015(10) 0.6025(6) 0.2927(3) 0.0348(13) Uani 1 1 d . . .
O9 O 0.24541(11) 0.4397(5) 0.3930(3) 0.0296(12) Uani 1 1 d . . .
O10 O 0.24239(9) 0.4559(4) 0.2632(2) 0.0221(10) Uani 1 1 d . . .
O11 O 0.25956(9) 0.2502(4) 0.2678(2) 0.0224(10) Uani 1 1 d . . .
O12 O 0.27121(10) 0.2700(5) 0.4023(2) 0.0291(12) Uani 1 1 d . . .
O1W O 0.26169(13) 1.0106(7) 0.4634(3) 0.0458(15) Uani 1 1 d . . .
H1WB H 0.2462 0.9946 0.4559 0.055 Uiso 1 1 d R . .
H1WA H 0.2701 0.9454 0.4838 0.069 Uiso 1 1 d R . .
O2W O 0.31131(13) 1.0675(8) 0.4509(4) 0.060(2) Uani 1 1 d . . .
H2WB H 0.3217 1.0080 0.4477 0.072 Uiso 1 1 d R . .
H2WA H 0.3177 1.1439 0.4506 0.090 Uiso 1 1 d R . .
N1 N 0.05643(13) 0.9188(8) 0.4086(4) 0.0375(16) Uani 1 1 d . . .
N2 N 0.45113(12) 0.5905(8) 0.4199(4) 0.0390(17) Uani 1 1 d . . .
N3 N 0.05649(14) 1.0300(9) 0.2470(5) 0.051(2) Uani 1 1 d . . .
N4 N 0.03306(13) 0.4860(8) 0.2457(5) 0.0445(19) Uani 1 1 d . . .
O3W O 0.2803(2) 1.2902(12) 0.5371(7) 0.119(4) Uiso 1 1 d . . .
H3WC H 0.2767 1.3519 0.5084 0.143 Uiso 1 1 d R . .
H3WB H 0.2728 1.3037 0.5668 0.143 Uiso 1 1 d R . .
O4W O 0.3178(8) 1.175(4) 0.562(2) 0.47(3) Uiso 1 1 d . . .
H4WB H 0.3307 1.2228 0.5665 0.558 Uiso 1 1 d R . .
H4WA H 0.3059 1.2230 0.5664 0.698 Uiso 1 1 d R . .
Cl Cl 0.11333(7) 0.3516(4) 0.48702(19) 0.0820(10) Uiso 0.372(14) 1 d PD A 1
O15 O 0.1393(3) 0.333(5) 0.495(2) 0.35(5) Uiso 0.372(14) 1 d PD A 1
O16 O 0.1074(8) 0.4847(16) 0.5033(18) 0.182(10) Uiso 0.372(14) 1 d PD A 1
O17 O 0.0988(6) 0.323(3) 0.4198(7) 0.140(8) Uiso 0.372(14) 1 d PD A 1
O18 O 0.1043(5) 0.262(2) 0.5290(11) 0.092(9) Uiso 0.372(14) 1 d PD A 1
Cl' Cl 0.11333(7) 0.3516(4) 0.48702(19) 0.0820(10) Uiso 0.628(14) 1 d PD A 2
O18' O 0.08791(19) 0.369(2) 0.4804(10) 0.133(8) Uiso 0.628(14) 1 d PD A 2
O15' O 0.1233(4) 0.2433(15) 0.5326(8) 0.118(7) Uiso 0.628(14) 1 d PD A 2
O16' O 0.1285(4) 0.4663(17) 0.5140(12) 0.182(10) Uiso 0.628(14) 1 d PD A 2
O17' O 0.1188(4) 0.314(2) 0.4257(7) 0.140(8) Uiso 0.628(14) 1 d PD A 2
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'
I I -0.4742 1.8119 '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'
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
O8 La1 O5 88.85(18) . .
O8 La1 O9 83.57(19) . .
O5 La1 O9 161.92(19) . .
O8 La1 O1 77.9(2) . .
O5 La1 O1 79.30(19) . .
O9 La1 O1 83.06(19) . .
O8 La1 O3 127.25(18) . .
O5 La1 O3 121.76(18) . .
O9 La1 O3 75.44(18) . .
O1 La1 O3 143.48(19) . .
O8 La1 O2 144.1(2) . 7_566
O5 La1 O2 103.33(19) . 7_566
O9 La1 O2 74.5(2) . 7_566
O1 La1 O2 71.54(19) . 7_566
O3 La1 O2 74.41(18) . 7_566
O8 La1 O11 78.11(18) . 4
O5 La1 O11 69.88(16) . 4
O9 La1 O11 124.00(16) . 4
O1 La1 O11 140.99(17) . 4
O3 La1 O11 75.05(17) . 4
O2 La1 O11 137.80(19) 7_566 4
O8 La1 O4 148.32(19) . .
O5 La1 O4 75.71(16) . .
O9 La1 O4 118.34(17) . .
O1 La1 O4 124.49(17) . .
O3 La1 O4 49.07(15) . .
O2 La1 O4 67.38(19) 7_566 .
O11 La1 O4 70.67(16) 4 .
O8 La1 O10 67.24(17) . .
O5 La1 O10 132.05(16) . .
O9 La1 O10 59.12(15) . .
O1 La1 O10 130.02(17) . .
O3 La1 O10 60.38(15) . .
O2 La1 O10 120.63(17) 7_566 .
O11 La1 O10 64.97(13) 4 .
O4 La1 O10 102.96(15) . .
O8 La1 C13 144.6(2) . .
O5 La1 C13 100.28(18) . .
O9 La1 C13 95.34(19) . .
O1 La1 C13 137.21(19) . .
O3 La1 C13 23.85(17) . .
O2 La1 C13 66.9(2) 7_566 .
O11 La1 C13 73.33(17) 4 .
O4 La1 C13 25.40(16) . .
O10 La1 C13 81.83(16) . .
O8 La1 La2 125.76(14) . .
O5 La1 La2 41.03(12) . .
O9 La1 La2 150.56(14) . .
O1 La1 La2 103.86(14) . .
O3 La1 La2 83.00(12) . .
O2 La1 La2 80.60(16) 7_566 .
O11 La1 La2 67.36(10) 4 .
O4 La1 La2 34.83(9) . .
O10 La1 La2 125.35(10) . .
C13 La1 La2 59.96(13) . .
O7 La2 O4 86.73(18) 4 .
O7 La2 O12 94.85(19) 4 1_565
O4 La2 O12 151.68(17) . 1_565
O7 La2 O10 81.58(17) 4 4
O4 La2 O10 73.76(17) . 4
O12 La2 O10 134.49(15) 1_565 4
O7 La2 O6 142.23(18) 4 .
O4 La2 O6 122.18(17) . .
O12 La2 O6 71.34(18) 1_565 .
O10 La2 O6 84.07(18) 4 .
O7 La2 O2W 67.3(2) 4 .
O4 La2 O2W 81.8(2) . .
O12 La2 O2W 72.9(2) 1_565 .
O10 La2 O2W 141.3(2) 4 .
O6 La2 O2W 134.6(2) . .
O7 La2 O1W 136.5(2) 4 .
O4 La2 O1W 86.0(2) . .
O12 La2 O1W 73.44(19) 1_565 .
O10 La2 O1W 136.2(2) 4 .
O6 La2 O1W 74.5(2) . .
O2W La2 O1W 69.2(3) . .
O7 La2 O11 75.77(16) 4 1_565
O4 La2 O11 142.90(17) . 1_565
O12 La2 O11 63.75(15) 1_565 1_565
O10 La2 O11 71.51(14) 4 1_565
O6 La2 O11 66.56(16) . 1_565
O2W La2 O11 119.1(2) . 1_565
O1W La2 O11 128.89(18) . 1_565
O7 La2 O5 149.87(17) 4 .
O4 La2 O5 74.45(16) . .
O12 La2 O5 112.93(17) 1_565 .
O10 La2 O5 70.78(16) 4 .
O6 La2 O5 47.77(15) . .
O2W La2 O5 130.6(2) . .
O1W La2 O5 66.52(19) . .
O11 La2 O5 105.43(14) 1_565 .
O7 La2 La1 124.10(13) 4 .
O4 La2 La1 40.06(12) . .
O12 La2 La1 139.14(13) 1_565 .
O10 La2 La1 69.96(11) 4 .
O6 La2 La1 82.30(12) . .
O2W La2 La1 108.64(18) . .
O1W La2 La1 69.69(15) . .
O11 La2 La1 132.21(10) 1_565 .
O5 La2 La1 34.54(10) . .
N1 Cu1 I1 115.3(2) . .
N1 Cu1 Cu3' 147.7(3) . 2
I1 Cu1 Cu3' 95.19(15) . 2
N1 Cu1 I2 110.7(2) . .
I1 Cu1 I2 119.87(6) . .
Cu3' Cu1 I2 56.9(2) 2 .
N1 Cu1 Cu2 131.8(2) . .
I1 Cu1 Cu2 59.73(5) . .
Cu3' Cu1 Cu2 71.93(18) 2 .
I2 Cu1 Cu2 61.05(5) . .
N1 Cu1 I3 107.8(2) . .
I1 Cu1 I3 97.11(6) . .
Cu3' Cu1 I3 55.3(2) 2 .
I2 Cu1 I3 103.61(5) . .
Cu2 Cu1 I3 120.44(6) . .
N1 Cu1 Cu3 138.3(3) . 2
I1 Cu1 Cu3 104.09(15) . 2
Cu3' Cu1 Cu3 9.4(2) 2 2
I2 Cu1 Cu3 55.1(2) . 2
Cu2 Cu1 Cu3 79.45(16) . 2
I3 Cu1 Cu3 52.1(2) . 2
N1 Cu1 Cu3 92.4(3) . .
I1 Cu1 Cu3 143.96(17) . .
Cu3' Cu1 Cu3 55.36(15) 2 .
I2 Cu1 Cu3 64.47(16) . .
Cu2 Cu1 Cu3 118.49(17) . .
I3 Cu1 Cu3 50.51(17) . .
Cu3 Cu1 Cu3 46.0(3) 2 .
N2 Cu2 I1 106.5(2) 3_455 .
N2 Cu2 I1 101.9(2) 3_455 5_576
I1 Cu2 I1 117.87(5) . 5_576
N2 Cu2 Cu1 136.2(2) 3_455 .
I1 Cu2 Cu1 58.10(4) . .
I1 Cu2 Cu1 121.74(6) 5_576 .
N2 Cu2 I2 111.2(2) 3_455 .
I1 Cu2 I2 115.87(5) . .
I1 Cu2 I2 102.69(5) 5_576 .
Cu1 Cu2 I2 58.62(5) . .
N2 Cu2 Cu2 118.3(2) 3_455 5_576
I1 Cu2 Cu2 59.87(5) . 5_576
I1 Cu2 Cu2 58.00(6) 5_576 5_576
Cu1 Cu2 Cu2 90.44(7) . 5_576
I2 Cu2 Cu2 129.32(7) . 5_576
N2 Cu2 Cu3' 86.9(3) 3_455 2
I1 Cu2 Cu3' 83.34(17) . 2
I1 Cu2 Cu3' 152.63(17) 5_576 2
Cu1 Cu2 Cu3' 52.82(15) . 2
I2 Cu2 Cu3' 50.32(16) . 2
Cu2 Cu2 Cu3' 139.25(17) 5_576 2
Cu3' Cu3 N3 76.7(15) . .
Cu3' Cu3 Cu3 117.3(18) . 2
N3 Cu3 Cu3 162.8(7) . 2
Cu3' Cu3 I3 83.2(18) . .
N3 Cu3 I3 112.4(5) . .
Cu3 Cu3 I3 62.55(17) 2 .
Cu3' Cu3 I2 72.7(19) . 2
N3 Cu3 I2 118.8(5) . 2
Cu3 Cu3 I2 76.7(4) 2 2
I3 Cu3 I2 114.8(3) . 2
Cu3' Cu3 Cu3' 124.1(17) . 2
N3 Cu3 Cu3' 151.9(5) . 2
Cu3 Cu3 Cu3' 11.0(3) 2 2
I3 Cu3 Cu3' 58.4(4) . 2
I2 Cu3 Cu3' 87.4(2) 2 2
Cu3' Cu3 Cu1 47.0(15) . 2
N3 Cu3 Cu1 123.4(4) . 2
Cu3 Cu3 Cu1 70.5(4) 2 2
I3 Cu3 Cu1 63.10(19) . 2
I2 Cu3 Cu1 56.08(18) 2 2
Cu3' Cu3 Cu1 78.3(2) 2 2
Cu3' Cu3 I2 167(2) . .
N3 Cu3 I2 113.2(4) . .
Cu3 Cu3 I2 54.9(3) 2 .
I3 Cu3 I2 100.2(2) . .
I2 Cu3 I2 94.3(3) 2 .
Cu3' Cu3 I2 50.4(2) 2 .
Cu1 Cu3 I2 123.2(3) 2 .
Cu3' Cu3 Cu1 140(2) . .
N3 Cu3 Cu1 99.4(4) . .
Cu3 Cu3 Cu1 63.5(3) 2 .
I3 Cu3 Cu1 60.72(19) . .
I2 Cu3 Cu1 137.0(3) 2 .
Cu3' Cu3 Cu1 52.5(2) 2 .
Cu1 Cu3 Cu1 118.7(3) 2 .
I2 Cu3 Cu1 50.17(11) . .
Cu3 Cu3' N3 86.5(16) . .
Cu3 Cu3' I2 94.4(19) . 2
N3 Cu3' I2 126.5(5) . 2
Cu3 Cu3' I3 83.9(18) . .
N3 Cu3' I3 114.4(5) . .
I2 Cu3' I3 118.9(3) 2 .
Cu3 Cu3' Cu1 123.6(16) . 2
N3 Cu3' Cu1 149.4(4) . 2
I2 Cu3' Cu1 62.2(2) 2 2
I3 Cu3' Cu1 68.6(2) . 2
Cu3 Cu3' Cu3 51.6(16) . 2
N3 Cu3' Cu3 136.9(4) . 2
I2 Cu3' Cu3 73.1(3) 2 2
I3 Cu3' Cu3 58.6(3) . 2
Cu1 Cu3' Cu3 72.1(2) 2 2
Cu3 Cu3' Cu3' 46.9(14) . 2
N3 Cu3' Cu3' 129.7(5) . 2
I2 Cu3' Cu3' 81.8(3) 2 2
I3 Cu3' Cu3' 53.61(15) . 2
Cu1 Cu3' Cu3' 78.0(3) 2 2
Cu3 Cu3' Cu3' 9.0(3) 2 2
Cu3 Cu3' Cu2 149(2) . 2
N3 Cu3' Cu2 102.5(4) . 2
I2 Cu3' Cu2 56.45(17) 2 2
I3 Cu3' Cu2 117.4(2) . 2
Cu1 Cu3' Cu2 55.25(15) 2 2
Cu3 Cu3' Cu2 118.6(2) 2 2
Cu3' Cu3' Cu2 127.0(4) 2 2
N4 Cu4 N4 172.3(5) . 2
N4 Cu4 I3 86.2(2) . .
N4 Cu4 I3 86.2(2) 2 .
Cu1 I1 Cu2 62.17(5) . .
Cu1 I1 Cu2 94.16(6) . 5_576
Cu2 I1 Cu2 62.13(5) . 5_576
Cu3' I2 Cu3 12.8(2) 2 2
Cu3' I2 Cu1 60.86(18) 2 .
Cu3 I2 Cu1 68.83(19) 2 .
Cu3' I2 Cu2 73.23(14) 2 .
Cu3 I2 Cu2 85.84(15) 2 .
Cu1 I2 Cu2 60.33(5) . .
Cu3' I2 Cu3 56.44(12) 2 .
Cu3 I2 Cu3 48.4(3) 2 .
Cu1 I2 Cu3 65.4(2) . .
Cu2 I2 Cu3 118.66(19) . .
Cu3' I3 Cu3' 72.8(3) 2 .
Cu3' I3 Cu3 12.9(2) 2 2
Cu3' I3 Cu3 62.99(14) . 2
Cu3' I3 Cu3 62.99(14) 2 .
Cu3' I3 Cu3 12.9(2) . .
Cu3 I3 Cu3 54.9(3) 2 .
Cu3' I3 Cu1 56.06(18) 2 .
Cu3' I3 Cu1 81.01(15) . .
Cu3 I3 Cu1 64.8(2) 2 .
Cu3 I3 Cu1 68.77(17) . .
Cu3' I3 Cu1 81.01(15) 2 2
Cu3' I3 Cu1 56.06(18) . 2
Cu3 I3 Cu1 68.77(17) 2 2
Cu3 I3 Cu1 64.8(2) . 2
Cu1 I3 Cu1 127.30(7) . 2
Cu3' I3 Cu4 143.61(15) 2 .
Cu3' I3 Cu4 143.61(15) . .
Cu3 I3 Cu4 152.55(17) 2 .
Cu3 I3 Cu4 152.55(17) . .
Cu1 I3 Cu4 116.35(3) . .
Cu1 I3 Cu4 116.35(3) 2 .
O2 C1 O1 126.4(7) . .
O2 C1 C2 119.0(7) . .
O1 C1 C2 114.6(6) . .
C3 C2 C4 120.5(7) . .
C3 C2 C1 120.6(7) . .
C4 C2 C1 118.8(7) . .
C2 C3 C5 120.5(7) . .
C2 C3 H3A 119.8 . .
C5 C3 H3A 119.8 . .
C2 C4 C6 119.1(7) . .
C2 C4 H4A 120.4 . .
C6 C4 H4A 120.4 . .
C7 C5 C3 120.2(7) . .
C7 C5 H5A 119.9 . .
C3 C5 H5A 119.9 . .
C4 C6 C7 120.6(7) . .
C4 C6 H6A 119.7 . .
C7 C6 H6A 119.7 . .
C5 C7 C6 118.9(7) . .
C5 C7 C8 121.7(7) . .
C6 C7 C8 119.3(7) . .
C9 C8 C10 116.5(8) . .
C9 C8 C7 121.5(8) . .
C10 C8 C7 122.0(8) . .
C8 C9 C11 119.4(9) . .
C8 C9 H9A 120.3 . .
C11 C9 H9A 120.3 . .
C8 C10 C12 121.2(9) . .
C8 C10 H10A 119.4 . .
C12 C10 H10A 119.4 . .
N1 C11 C9 126.4(9) . .
N1 C11 H11A 116.8 . .
C9 C11 H11A 116.8 . .
N1 C12 C10 119.5(9) . .
N1 C12 H12A 120.2 . .
C10 C12 H12A 120.2 . .
O3 C13 O4 121.0(7) . .
O3 C13 C14 118.3(6) . .
O4 C13 C14 120.7(6) . .
O3 C13 La1 53.9(4) . .
O4 C13 La1 67.8(4) . .
C14 C13 La1 168.4(5) . .
C16 C14 C15 119.1(7) . .
C16 C14 C13 123.2(6) . .
C15 C14 C13 117.6(6) . .
C17 C15 C14 119.3(7) . .
C17 C15 H15A 120.4 . .
C14 C15 H15A 120.4 . .
C18 C16 C14 120.5(7) . .
C18 C16 H16A 119.8 . .
C14 C16 H16A 119.8 . .
C15 C17 C19 121.5(7) . .
C15 C17 H17A 119.2 . .
C19 C17 H17A 119.2 . .
C19 C18 C16 121.2(7) . .
C19 C18 H18A 119.4 . .
C16 C18 H18A 119.4 . .
C18 C19 C17 118.4(7) . .
C18 C19 C20 121.7(8) . .
C17 C19 C20 119.8(7) . .
C22 C20 C21 115.8(8) . .
C22 C20 C19 123.0(8) . .
C21 C20 C19 121.2(8) . .
C20 C21 C23 119.6(9) . .
C20 C21 H21A 120.2 . .
C23 C21 H21A 120.2 . .
C24 C22 C20 123.1(10) . .
C24 C22 H22A 118.5 . .
C20 C22 H22A 118.5 . .
N2 C23 C21 123.8(9) . .
N2 C23 H23A 118.1 . .
C21 C23 H23A 118.1 . .
N2 C24 C22 121.1(10) . .
N2 C24 H24A 119.5 . .
C22 C24 H24A 119.5 . .
O6 C25 O5 121.3(7) . .
O6 C25 C26 119.2(6) . .
O5 C25 C26 119.5(6) . .
C28 C26 C27 118.4(7) . .
C28 C26 C25 119.4(7) . .
C27 C26 C25 122.2(6) . .
C29 C27 C26 120.9(7) . .
C29 C27 H27A 119.5 . .
C26 C27 H27A 119.5 . .
C26 C28 C30 121.7(7) . .
C26 C28 H28A 119.2 . .
C30 C28 H28A 119.2 . .
C31 C29 C27 120.4(7) . .
C31 C29 H29A 119.8 . .
C27 C29 H29A 119.8 . .
C28 C30 C31 119.8(7) . .
C28 C30 H30A 120.1 . .
C31 C30 H30A 120.1 . .
C29 C31 C30 118.6(7) . .
C29 C31 C32 120.3(7) . .
C30 C31 C32 121.0(7) . .
C33 C32 C34 114.3(8) . .
C33 C32 C31 123.0(8) . .
C34 C32 C31 122.7(8) . .
C32 C33 C35 122.1(9) . .
C32 C33 H33A 118.9 . .
C35 C33 H33A 118.9 . .
C36 C34 C32 119.3(10) . .
C36 C34 H34A 120.4 . .
C32 C34 H34A 120.4 . .
N3 C35 C33 123.0(9) . .
N3 C35 H35A 118.5 . .
C33 C35 H35A 118.5 . .
N3 C36 C34 126.0(11) . .
N3 C36 H36A 117.0 . .
C34 C36 H36A 117.0 . .
O7 C37 O8 124.8(7) . .
O7 C37 C38 119.0(6) . .
O8 C37 C38 116.1(7) . .
C40 C38 C39 117.5(7) . .
C40 C38 C37 120.4(7) . .
C39 C38 C37 122.1(7) . .
C41 C39 C38 120.8(7) . .
C41 C39 H39A 119.6 . .
C38 C39 H39A 119.6 . .
C38 C40 C42 120.5(7) . .
C38 C40 H40A 119.8 . .
C42 C40 H40A 119.8 . .
C43 C41 C39 121.8(8) . .
C43 C41 H41A 119.1 . .
C39 C41 H41A 119.1 . .
C43 C42 C40 121.5(8) . .
C43 C42 H42A 119.2 . .
C40 C42 H42A 119.2 . .
C41 C43 C42 117.8(7) . .
C41 C43 C44 122.7(7) . .
C42 C43 C44 119.5(7) . .
C46 C44 C45 117.4(8) . .
C46 C44 C43 122.2(8) . .
C45 C44 C43 120.3(8) . .
C47 C45 C44 117.9(10) . .
C47 C45 H45A 121.0 . .
C44 C45 H45A 121.0 . .
C44 C46 C48 121.4(9) . .
C44 C46 H46A 119.3 . .
C48 C46 H46A 119.3 . .
N4 C47 C45 123.7(10) . .
N4 C47 H47A 118.1 . .
C45 C47 H47A 118.1 . .
N4 C48 C46 122.5(10) . .
N4 C48 H48A 118.8 . .
C46 C48 H48A 118.8 . .
O10 C49 O11 127.8(6) . .
O10 C49 C50 116.0(6) . .
O11 C49 C50 116.1(5) . .
O12 C50 O9 124.2(7) . .
O12 C50 C49 118.4(6) . .
O9 C50 C49 117.4(6) . .
C1 O1 La1 143.3(5) . .
C1 O2 La1 153.5(6) . 7_566
C13 O3 La1 102.2(4) . .
C13 O4 La2 164.2(5) . .
C13 O4 La1 86.8(4) . .
La2 O4 La1 105.11(18) . .
C25 O5 La1 167.6(5) . .
C25 O5 La2 87.9(4) . .
La1 O5 La2 104.43(17) . .
C25 O6 La2 103.0(4) . .
C37 O7 La2 135.1(5) . 4_545
C37 O8 La1 147.6(6) . .
C50 O9 La1 122.5(5) . .
C49 O10 La2 139.9(4) . 4_545
C49 O10 La1 111.3(4) . .
La2 O10 La1 107.99(15) 4_545 .
C49 O11 La2 114.0(4) . 1_545
C49 O11 La1 134.9(4) . 4_545
La2 O11 La1 110.37(16) 1_545 4_545
C50 O12 La2 117.7(4) . 1_545
La2 O1W H1WB 109.6 . .
La2 O1W H1WA 109.4 . .
H1WB O1W H1WA 109.8 . .
La2 O2W H2WB 109.5 . .
La2 O2W H2WA 109.4 . .
H2WB O2W H2WA 109.8 . .
C11 N1 C12 117.0(8) . .
C11 N1 Cu1 125.4(6) . .
C12 N1 Cu1 117.4(6) . .
C23 N2 C24 116.4(8) . .
C23 N2 Cu2 121.9(6) . 3_545
C24 N2 Cu2 121.5(7) . 3_545
C36 N3 C35 115.3(9) . .
C36 N3 Cu3' 126.6(8) . .
C35 N3 Cu3' 117.2(7) . .
C36 N3 Cu3 119.1(8) . .
C35 N3 Cu3 125.2(7) . .
Cu3' N3 Cu3 16.9(3) . .
C48 N4 C47 116.8(8) . .
C48 N4 Cu4 121.7(7) . .
C47 N4 Cu4 121.2(7) . .
H3WC O3W H3WB 109.7 . .
H4WB O4W H4WA 109.8 . .
O15 Cl O16 112.9(14) . .
O15 Cl O18 111.3(13) . .
O16 Cl O18 107.0(12) . .
O15 Cl O17 111.5(13) . .
O16 Cl O17 108.1(12) . .
O18 Cl O17 105.7(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O8 2.431(5) .
La1 O5 2.443(5) .
La1 O9 2.449(5) .
La1 O1 2.472(6) .
La1 O3 2.481(5) .
La1 O2 2.564(6) 7_566
La1 O11 2.702(5) 4
La1 O4 2.782(5) .
La1 O10 2.928(5) .
La1 C13 3.001(7) .
La1 La2 4.1728(12) .
La2 O7 2.467(5) 4
La2 O4 2.469(5) .
La2 O12 2.475(5) 1_565
La2 O10 2.513(5) 4
La2 O6 2.554(5) .
La2 O2W 2.564(7) .
La2 O1W 2.578(6) .
La2 O11 2.668(5) 1_565
La2 O5 2.828(5) .
Cu1 N1 2.004(7) .
Cu1 I1 2.6055(17) .
Cu1 Cu3' 2.632(8) 2
Cu1 I2 2.6667(17) .
Cu1 Cu2 2.714(2) .
Cu1 I3 2.953(2) .
Cu1 Cu3 2.997(9) 2
Cu1 Cu3 3.156(9) .
Cu2 N2 2.013(7) 3_455
Cu2 I1 2.6507(17) .
Cu2 I1 2.7035(17) 5_576
Cu2 I2 2.7332(16) .
Cu2 Cu2 2.763(3) 5_576
Cu2 Cu3' 3.140(8) 2
Cu3 Cu3' 0.587(10) .
Cu3 N3 2.015(11) .
Cu3 Cu3 2.409(15) 2
Cu3 I3 2.613(10) .
Cu3 I2 2.635(10) 2
Cu3 Cu3' 2.728(6) 2
Cu3 Cu1 2.997(9) 2
Cu3 I2 3.133(7) .
Cu3' N3 1.964(11) .
Cu3' I2 2.524(10) 2
Cu3' I3 2.609(9) .
Cu3' Cu1 2.632(8) 2
Cu3' Cu3 2.728(6) 2
Cu3' Cu3' 3.096(13) 2
Cu3' Cu2 3.140(8) 2
Cu4 N4 1.883(7) .
Cu4 N4 1.883(7) 2
Cu4 I3 3.420(3) .
I1 Cu2 2.7035(17) 5_576
I2 Cu3' 2.524(10) 2
I2 Cu3 2.635(10) 2
I3 Cu3' 2.609(9) 2
I3 Cu3 2.613(10) 2
I3 Cu1 2.953(2) 2
C1 O2 1.230(9) .
C1 O1 1.277(9) .
C1 C2 1.510(9) .
C2 C3 1.367(10) .
C2 C4 1.388(10) .
C3 C5 1.405(11) .
C3 H3A 0.9300 .
C4 C6 1.402(10) .
C4 H4A 0.9300 .
C5 C7 1.378(12) .
C5 H5A 0.9300 .
C6 C7 1.406(10) .
C6 H6A 0.9300 .
C7 C8 1.490(10) .
C8 C9 1.352(13) .
C8 C10 1.385(13) .
C9 C11 1.378(12) .
C9 H9A 0.9300 .
C10 C12 1.399(12) .
C10 H10A 0.9300 .
C11 N1 1.268(12) .
C11 H11A 0.9300 .
C12 N1 1.380(13) .
C12 H12A 0.9300 .
C13 O3 1.241(9) .
C13 O4 1.289(8) .
C13 C14 1.486(9) .
C14 C16 1.390(10) .
C14 C15 1.410(9) .
C15 C17 1.377(10) .
C15 H15A 0.9300 .
C16 C18 1.379(10) .
C16 H16A 0.9300 .
C17 C19 1.399(11) .
C17 H17A 0.9300 .
C18 C19 1.379(11) .
C18 H18A 0.9300 .
C19 C20 1.473(10) .
C20 C22 1.369(13) .
C20 C21 1.374(12) .
C21 C23 1.390(12) .
C21 H21A 0.9300 .
C22 C24 1.359(14) .
C22 H22A 0.9300 .
C23 N2 1.332(13) .
C23 H23A 0.9300 .
C24 N2 1.358(13) .
C24 H24A 0.9300 .
C25 O6 1.221(9) .
C25 O5 1.296(8) .
C25 C26 1.482(10) .
C26 C28 1.383(10) .
C26 C27 1.410(10) .
C27 C29 1.398(10) .
C27 H27A 0.9300 .
C28 C30 1.394(11) .
C28 H28A 0.9300 .
C29 C31 1.392(10) .
C29 H29A 0.9300 .
C30 C31 1.424(11) .
C30 H30A 0.9300 .
C31 C32 1.478(10) .
C32 C33 1.352(12) .
C32 C34 1.392(13) .
C33 C35 1.394(12) .
C33 H33A 0.9300 .
C34 C36 1.387(13) .
C34 H34A 0.9300 .
C35 N3 1.317(13) .
C35 H35A 0.9300 .
C36 N3 1.289(14) .
C36 H36A 0.9300 .
C37 O7 1.251(10) .
C37 O8 1.258(9) .
C37 C38 1.486(9) .
C38 C40 1.381(10) .
C38 C39 1.389(10) .
C39 C41 1.371(10) .
C39 H39A 0.9300 .
C40 C42 1.386(10) .
C40 H40A 0.9300 .
C41 C43 1.364(12) .
C41 H41A 0.9300 .
C42 C43 1.370(11) .
C42 H42A 0.9300 .
C43 C44 1.515(10) .
C44 C46 1.355(13) .
C44 C45 1.408(13) .
C45 C47 1.395(12) .
C45 H45A 0.9300 .
C46 C48 1.391(12) .
C46 H46A 0.9300 .
C47 N4 1.359(15) .
C47 H47A 0.9300 .
C48 N4 1.327(14) .
C48 H48A 0.9300 .
C49 O10 1.245(8) .
C49 O11 1.288(8) .
C49 C50 1.544(9) .
C50 O12 1.244(9) .
C50 O9 1.259(9) .
O2 La1 2.564(6) 7_566
O7 La2 2.467(5) 4_545
O10 La2 2.513(5) 4_545
O11 La2 2.668(5) 1_545
O11 La1 2.702(5) 4_545
O12 La2 2.475(5) 1_545
O1W H1WB 0.8504 .
O1W H1WA 0.8499 .
O2W H2WB 0.8498 .
O2W H2WA 0.8499 .
N2 Cu2 2.013(7) 3_545
O3W H3WC 0.8499 .
O3W H3WB 0.8500 .
O4W H4WB 0.8501 .
O4W H4WA 0.8501 .
Cl O15 1.428(9) .
Cl O16 1.444(9) .
Cl O18 1.445(9) .
Cl O17 1.448(9) .
