#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:09:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179654 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/07/4510790.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_4510790
loop_
_publ_author_name
'Díaz-Gallifa, Pau'
'Fabelo, Oscar'
'Cañadillas-Delgado, Laura'
'Pasán, Jorge'
'Labrador, Ana'
'Lloret, Francesc'
'Julve, Miguel'
'Ruiz-Pérez, Catalina'
_publ_section_title
;
 Synthesis, Crystal Structure and Magnetic Characterization of a Series of
 CuII--LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal--Organic
 Compounds with an Unusual Single Crystal to Single Crystal Phase
 Transition
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4735
_journal_paper_doi               10.1021/cg4008679
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C25 H45 Cu2 La2 O40'
_chemical_formula_weight         1390.51
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 99.73(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.985(2)
_cell_length_b                   20.450(4)
_cell_length_c                   19.856(4)
_cell_measurement_temperature    100(2)
_cell_volume                     4396.4(15)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'MxCube (ESRF, 2006)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9.6
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Single-axis HUBER diffractometer'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_detector       'ADSC Q210r CCD (binned mode)'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_wavelength     0.73830
_diffrn_reflns_av_R_equivalents  0.0608
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            73169
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         1.50
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF-CRG BM16'
_exptl_absorpt_coefficient_mu    3.332
_exptl_absorpt_correction_T_max  0.6462
_exptl_absorpt_correction_T_min  0.6421
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.101
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             2748
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_exptl_crystal_size_rad          0.1000
_refine_diff_density_max         5.531
_refine_diff_density_min         -2.009
_refine_diff_density_rms         0.204
_refine_ls_extinction_coef       0.0013(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         9677
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0620
_refine_ls_R_factor_gt           0.0587
_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)+(0.1231P)²+11.4594P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1676
_refine_ls_wR_factor_ref         0.1729
_reflns_number_gt                8749
_reflns_number_total             9677
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1B.cif
_cod_data_source_block           1b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/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 
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4510790
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_correction_t_ave  0.6443
#END Tags that were not found in dictionaries
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
La1 La -0.46461(2) 0.126608(12) 0.345065(13) 0.02256(12) Uani 1 1 d .
La2 La 0.84030(2) 0.125996(12) 1.081721(14) 0.02645(13) Uani 1 1 d .
Cu1 Cu 0.08030(5) 0.17460(3) 0.83161(3) 0.02690(16) Uani 1 1 d .
Cu2 Cu 0.29254(5) 0.17407(3) 0.58927(3) 0.02435(15) Uani 1 1 d .
C1 C -0.2560(4) 0.2594(2) 0.5215(2) 0.0257(9) Uani 1 1 d .
C2 C -0.2878(4) 0.2952(2) 0.5760(2) 0.0271(9) Uani 1 1 d .
C3 C -0.2143(4) 0.2913(2) 0.6401(2) 0.0278(9) Uani 1 1 d .
H3 H -0.2334 0.3165 0.6758 0.033 Uiso 1 1 calc R
C4 C -0.1124(4) 0.2499(2) 0.6511(2) 0.0268(9) Uani 1 1 d .
C5 C -0.0798(4) 0.2143(2) 0.5968(2) 0.0262(9) Uani 1 1 d .
C6 C -0.1521(4) 0.2190(2) 0.5322(2) 0.0293(9) Uani 1 1 d .
H6 H -0.1309 0.1951 0.4960 0.035 Uiso 1 1 calc R
C7 C -0.3256(4) 0.2664(2) 0.4500(2) 0.0256(9) Uani 1 1 d .
C8 C -0.4091(4) 0.3297(2) 0.5702(2) 0.0266(9) Uani 1 1 d .
C9 C -0.0450(4) 0.2407(2) 0.7223(2) 0.0266(9) Uani 1 1 d .
C10 C 0.0353(4) 0.1726(2) 0.6058(2) 0.0280(9) Uani 1 1 d .
C11 C -0.1259(4) -0.0135(2) 0.4866(2) 0.0276(9) Uani 1 1 d .
C12 C -0.0774(4) 0.0343(2) 0.4492(2) 0.0291(9) Uani 1 1 d .
C13 C 0.0487(4) 0.0473(2) 0.4626(2) 0.0299(9) Uani 1 1 d .
H13 H 0.0815 0.0790 0.4373 0.036 Uiso 1 1 calc R
C14 C -0.2606(4) -0.0316(2) 0.4753(2) 0.0291(9) Uani 1 1 d .
C15 C -0.1580(4) 0.0742(3) 0.3960(3) 0.0337(10) Uani 1 1 d .
C20 C 0.4553(4) 0.2077(2) 0.8261(2) 0.0265(9) Uani 1 1 d .
C21 C 0.4850(4) 0.2434(2) 0.7712(2) 0.0265(9) Uani 1 1 d .
C22 C 0.5877(4) 0.2849(2) 0.7824(2) 0.0288(9) Uani 1 1 d .
H22 H 0.6069 0.3097 0.7464 0.035 Uiso 1 1 calc R
C23 C 0.6618(4) 0.2897(2) 0.8464(2) 0.0261(9) Uani 1 1 d .
C24 C 0.6320(4) 0.2532(2) 0.9005(2) 0.0259(9) Uani 1 1 d .
C25 C 0.5292(4) 0.2126(2) 0.8903(2) 0.0284(9) Uani 1 1 d .
H25 H 0.5094 0.1884 0.9266 0.034 Uiso 1 1 calc R
C26 C 0.3392(4) 0.1673(2) 0.8230(2) 0.0282(9) Uani 1 1 d .
C27 C 0.4166(4) 0.2339(2) 0.7004(2) 0.0259(9) Uani 1 1 d .
C28 C 0.7817(4) 0.3276(2) 0.8534(2) 0.0277(9) Uani 1 1 d .
C29 C 0.7012(4) 0.2600(2) 0.9723(2) 0.0254(8) Uani 1 1 d .
O1 O -0.3617(3) 0.21651(19) 0.41628(18) 0.0345(8) Uani 1 1 d .
O2 O -0.3391(3) 0.32408(18) 0.42730(17) 0.0315(7) Uani 1 1 d .
O3 O -0.5013(3) 0.30548(17) 0.53236(17) 0.0298(7) Uani 1 1 d .
O4 O -0.4187(4) 0.37992(19) 0.6060(2) 0.0385(9) Uani 1 1 d .
O5 O -0.0382(3) 0.2874(2) 0.76297(18) 0.0376(8) Uani 1 1 d .
O6 O -0.0022(3) 0.18490(19) 0.73725(17) 0.0338(7) Uani 1 1 d .
O7 O 0.1358(3) 0.20531(18) 0.61464(17) 0.0316(7) Uani 1 1 d .
O8 O 0.0274(4) 0.1132(2) 0.6020(2) 0.0434(9) Uani 1 1 d .
O9 O -0.3052(3) -0.06582(18) 0.4239(2) 0.0354(8) Uani 1 1 d .
O10 O -0.3210(3) -0.0122(2) 0.5201(2) 0.0388(8) Uani 1 1 d .
O11 O -0.2735(3) 0.07424(19) 0.3964(2) 0.0365(8) Uani 1 1 d .
O12 O -0.1077(4) 0.1072(3) 0.3551(3) 0.0598(13) Uani 1 1 d .
O13 O 0.2390(3) 0.19868(18) 0.80368(17) 0.0308(7) Uani 1 1 d .
O14 O 0.3463(4) 0.1101(2) 0.8423(2) 0.0451(10) Uani 1 1 d .
O15 O 0.3736(3) 0.17779(17) 0.68468(17) 0.0308(7) Uani 1 1 d .
O16 O 0.4075(3) 0.28134(19) 0.65951(18) 0.0372(8) Uani 1 1 d .
O17 O 0.7895(4) 0.37941(18) 0.8219(2) 0.0393(9) Uani 1 1 d .
O18 O 0.8747(3) 0.30186(18) 0.89015(17) 0.0312(7) Uani 1 1 d .
O19 O 0.7300(3) 0.20937(19) 1.00678(18) 0.0348(8) Uani 1 1 d .
O20 O 0.7175(3) 0.31729(17) 0.99373(16) 0.0304(7) Uani 1 1 d .
O1W O -0.4883(3) 0.08763(18) 0.46554(18) 0.0333(7) Uani 1 1 d .
O2W O -0.4957(5) 0.0015(2) 0.3436(2) 0.0529(11) Uani 1 1 d .
O3W O -0.4894(6) 0.0794(3) 0.2253(3) 0.0699(15) Uani 1 1 d .
O4W O -0.2876(3) 0.17058(18) 0.28469(18) 0.0334(7) Uani 1 1 d .
O5W O 0.6618(4) 0.1639(2) 1.1429(2) 0.0415(9) Uani 1 1 d .
O6W O 0.8847(7) 0.0786(3) 1.2026(3) 0.0719(16) Uani 1 1 d .
O7W O 0.8885(5) 0.0036(2) 1.0790(2) 0.0597(12) Uani 1 1 d .
O8W O 0.6456(5) 0.0622(3) 1.0368(3) 0.0743(16) Uani 1 1 d .
O9W O 0.8831(5) 0.0829(2) 0.9669(2) 0.0536(11) Uani 1 1 d .
O10W O -0.0835(3) 0.1738(2) 0.8652(2) 0.0387(8) Uani 1 1 d .
O11W O 0.0732(7) 0.0676(3) 0.8102(3) 0.0818(19) Uani 1 1 d .
O13W O 0.4629(3) 0.17851(18) 0.56064(18) 0.0334(7) Uani 1 1 d .
O1X O 0.7512(6) -0.0242(3) 0.9112(4) 0.093(2) Uani 1 1 d .
O2X O 0.8139(5) 0.0587(3) 0.6258(3) 0.0684(14) Uani 1 1 d .
O3X O 0.6149(6) -0.0764(3) 1.0108(4) 0.0841(18) Uani 1 1 d .
O4X O 0.5524(6) 0.0397(3) 0.8282(5) 0.117(3) Uani 1 1 d .
O5X O 0.1941(6) 0.0452(4) 0.7091(3) 0.091(2) Uani 1 1 d .
O6X O 0.6369(8) 0.1232(5) 0.6660(5) 0.132(4) Uani 1 1 d .
O7X O 0.8614(7) -0.0162(5) 0.7440(4) 0.115(3) Uani 1 1 d .
O8X O 0.7393(8) 0.1072(5) 0.7896(4) 0.120(3) 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'
O O 0.0106 0.0060 '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'
La La -0.2871 2.4523 '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
O11 La1 O5 139.93(13) . 4_565
O11 La1 O1 78.93(13) . .
O5 La1 O1 85.09(13) 4_565 .
O11 La1 O3W 100.04(19) . .
O5 La1 O3W 71.19(16) 4_565 .
O1 La1 O3W 141.71(15) . .
O11 La1 O18 134.66(12) . 4_465
O5 La1 O18 69.69(12) 4_565 4_465
O1 La1 O18 69.64(11) . 4_465
O3W La1 O18 124.91(17) . 4_465
O11 La1 O1W 71.83(12) . .
O5 La1 O1W 140.29(12) 4_565 .
O1 La1 O1W 78.88(12) . .
O3W La1 O1W 137.76(15) . .
O18 La1 O1W 70.69(11) 4_465 .
O11 La1 O2W 70.73(14) . .
O5 La1 O2W 132.72(14) 4_565 .
O1 La1 O2W 142.19(13) . .
O3W La1 O2W 67.61(16) . .
O18 La1 O2W 118.11(15) 4_465 .
O1W La1 O2W 70.70(14) . .
O11 La1 O4W 71.70(12) . .
O5 La1 O4W 68.50(12) 4_565 .
O1 La1 O4W 72.69(12) . .
O3W La1 O4W 70.81(16) . .
O18 La1 O4W 124.98(11) 4_465 .
O1W La1 O4W 137.12(11) . .
O2W La1 O4W 116.35(15) . .
O11 La1 O17 146.41(12) . 4_465
O5 La1 O17 72.91(13) 4_565 4_465
O1 La1 O17 119.03(12) . 4_465
O3W La1 O17 82.84(18) . 4_465
O18 La1 O17 49.47(11) 4_465 4_465
O1W La1 O17 83.57(13) . 4_465
O2W La1 O17 79.86(14) . 4_465
O4W La1 O17 138.45(12) . 4_465
O11 La1 C28 150.45(13) . 4_465
O5 La1 C28 66.56(13) 4_565 4_465
O1 La1 C28 94.37(13) . 4_465
O3W La1 C28 102.66(18) . 4_465
O18 La1 C28 25.07(12) 4_465 4_465
O1W La1 C28 78.65(12) . 4_465
O2W La1 C28 100.93(15) . 4_465
O4W La1 C28 134.07(12) . 4_465
O17 La1 C28 24.69(12) 4_465 4_465
O19 La2 O16 84.89(13) . 4_666
O19 La2 O8W 80.96(17) . .
O16 La2 O8W 139.27(16) 4_666 .
O19 La2 O3 71.55(12) . 4_766
O16 La2 O3 70.67(12) 4_666 4_766
O8W La2 O3 137.40(18) . 4_766
O19 La2 O6W 146.25(16) . .
O16 La2 O6W 73.46(16) 4_666 .
O8W La2 O6W 98.7(2) . .
O3 La2 O6W 122.26(18) 4_766 .
O19 La2 O9W 81.05(14) . .
O16 La2 O9W 137.56(14) 4_666 .
O8W La2 O9W 77.34(19) . .
O3 La2 O9W 66.91(13) 4_766 .
O6W La2 O9W 132.12(17) . .
O19 La2 O7W 138.72(14) . .
O16 La2 O7W 136.05(14) 4_666 .
O8W La2 O7W 69.82(18) . .
O3 La2 O7W 111.80(15) 4_766 .
O6W La2 O7W 69.04(16) . .
O9W La2 O7W 64.87(15) . .
O19 La2 O5W 74.95(13) . .
O16 La2 O5W 69.43(13) 4_666 .
O8W La2 O5W 70.05(17) . .
O3 La2 O5W 129.29(12) 4_766 .
O6W La2 O5W 73.34(17) . .
O9W La2 O5W 141.89(15) . .
O7W La2 O5W 118.54(16) . .
O19 La2 O4 121.80(12) . 4_766
O16 La2 O4 74.59(13) 4_666 4_766
O8W La2 O4 144.06(16) . 4_766
O3 La2 O4 50.33(11) 4_766 4_766
O6W La2 O4 77.46(19) . 4_766
O9W La2 O4 79.38(16) . 4_766
O7W La2 O4 75.63(16) . 4_766
O5W La2 O4 138.62(14) . 4_766
O19 La2 C8 96.41(13) . 4_766
O16 La2 C8 68.22(13) 4_666 4_766
O8W La2 C8 151.10(17) . 4_766
O3 La2 C8 25.16(12) 4_766 4_766
O6W La2 C8 99.06(19) . 4_766
O9W La2 C8 73.84(14) . 4_766
O7W La2 C8 95.72(16) . 4_766
O5W La2 C8 137.35(13) . 4_766
O4 La2 C8 25.41(12) 4_766 4_766
O6 Cu1 O2 172.94(16) . 4_666
O6 Cu1 O13 89.57(15) . .
O2 Cu1 O13 89.62(15) 4_666 .
O6 Cu1 O10W 91.29(16) . .
O2 Cu1 O10W 87.81(16) 4_666 .
O13 Cu1 O10W 165.88(16) . .
O6 Cu1 O11W 85.83(19) . .
O2 Cu1 O11W 101.21(19) 4_666 .
O13 Cu1 O11W 101.2(2) . .
O10W Cu1 O11W 92.9(2) . .
O20 Cu2 O15 172.32(15) 4_565 .
O20 Cu2 O7 88.59(14) 4_565 .
O15 Cu2 O7 90.81(15) . .
O20 Cu2 O13W 88.96(15) 4_565 .
O15 Cu2 O13W 88.81(15) . .
O7 Cu2 O13W 158.63(15) . .
O20 Cu2 O9 90.02(14) 4_565 3_556
O15 Cu2 O9 97.16(14) . 3_556
O7 Cu2 O9 115.03(14) . 3_556
O13W Cu2 O9 86.19(14) . 3_556
C6 C1 C2 119.8(4) . .
C6 C1 C7 118.2(4) . .
C2 C1 C7 121.8(4) . .
C3 C2 C1 119.7(4) . .
C3 C2 C8 118.0(4) . .
C1 C2 C8 121.6(4) . .
C2 C3 C4 120.4(4) . .
C3 C4 C5 120.0(4) . .
C3 C4 C9 118.9(4) . .
C5 C4 C9 120.9(4) . .
C6 C5 C4 119.6(4) . .
C6 C5 C10 118.9(4) . .
C4 C5 C10 121.5(4) . .
C5 C6 C1 120.3(4) . .
O1 C7 O2 124.4(4) . .
O1 C7 C1 119.5(4) . .
O2 C7 C1 116.0(4) . .
O3 C8 O4 121.4(4) . .
O3 C8 C2 118.5(4) . .
O4 C8 C2 119.9(4) . .
O3 C8 La2 59.8(2) . 4_465
O4 C8 La2 62.5(3) . 4_465
C2 C8 La2 166.5(3) . 4_465
O5 C9 O6 124.6(4) . .
O5 C9 C4 118.9(4) . .
O6 C9 C4 116.5(4) . .
O8 C10 O7 125.5(4) . .
O8 C10 C5 120.4(4) . .
O7 C10 C5 114.1(4) . .
C12 C11 C13 119.8(4) . 3_556
C12 C11 C14 123.4(4) . .
C13 C11 C14 116.8(4) 3_556 .
C11 C12 C13 119.5(4) . .
C11 C12 C15 121.7(4) . .
C13 C12 C15 118.7(4) . .
C11 C13 C12 120.7(4) 3_556 .
O10 C14 O9 124.4(4) . .
O10 C14 C11 116.0(4) . .
O9 C14 C11 119.5(4) . .
O12 C15 O11 123.6(5) . .
O12 C15 C12 118.5(4) . .
O11 C15 C12 117.8(4) . .
C25 C20 C21 120.0(4) . .
C25 C20 C26 115.7(4) . .
C21 C20 C26 124.1(4) . .
C20 C21 C22 118.8(4) . .
C20 C21 C27 121.4(4) . .
C22 C21 C27 119.6(4) . .
C23 C22 C21 121.3(4) . .
C22 C23 C24 119.2(4) . .
C22 C23 C28 119.1(4) . .
C24 C23 C28 121.2(4) . .
C25 C24 C23 119.9(4) . .
C25 C24 C29 117.6(4) . .
C23 C24 C29 122.3(4) . .
C24 C25 C20 120.7(4) . .
O14 C26 O13 125.3(4) . .
O14 C26 C20 119.9(4) . .
O13 C26 C20 114.6(4) . .
O16 C27 O15 123.8(4) . .
O16 C27 C21 118.7(4) . .
O15 C27 C21 117.5(4) . .
O17 C28 O18 121.9(4) . .
O17 C28 C23 121.6(4) . .
O18 C28 C23 116.5(4) . .
O17 C28 La1 63.7(3) . 4_766
O18 C28 La1 59.3(2) . 4_766
C23 C28 La1 165.0(3) . 4_766
O20 C29 O19 125.5(4) . .
O20 C29 C24 115.5(4) . .
O19 C29 C24 118.8(4) . .
C7 O1 La1 171.0(3) . .
C7 O2 Cu1 111.5(3) . 4_565
C8 O3 La2 95.0(3) . 4_465
C8 O4 La2 92.1(3) . 4_465
C9 O5 La1 164.3(3) . 4_666
C9 O6 Cu1 115.0(3) . .
C10 O7 Cu2 124.4(3) . .
C14 O9 Cu2 128.2(3) . 3_556
C15 O11 La1 142.4(3) . .
C26 O13 Cu1 123.2(3) . .
C27 O15 Cu2 111.5(3) . .
C27 O16 La2 167.1(3) . 4_565
C28 O17 La1 91.6(3) . 4_766
C28 O18 La1 95.6(3) . 4_766
C29 O19 La2 164.4(3) . .
C29 O20 Cu2 115.5(3) . 4_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O11 2.423(3) .
La1 O5 2.440(4) 4_565
La1 O1 2.473(4) .
La1 O3W 2.538(5) .
La1 O18 2.568(3) 4_465
La1 O1W 2.576(4) .
La1 O2W 2.580(4) .
La1 O4W 2.611(4) .
La1 O17 2.666(4) 4_465
La1 C28 2.971(4) 4_465
La2 O19 2.445(4) .
La2 O16 2.477(4) 4_666
La2 O8W 2.535(5) .
La2 O3 2.555(3) 4_766
La2 O6W 2.559(5) .
La2 O9W 2.561(4) .
La2 O7W 2.561(5) .
La2 O5W 2.593(4) .
La2 O4 2.612(4) 4_766
La2 C8 2.944(4) 4_766
Cu1 O6 1.950(3) .
Cu1 O2 1.956(3) 4_666
Cu1 O13 1.979(3) .
Cu1 O10W 2.022(4) .
Cu1 O11W 2.228(6) .
Cu2 O20 1.945(3) 4_565
Cu2 O15 1.954(3) .
Cu2 O7 1.980(3) .
Cu2 O13W 2.048(3) .
Cu2 O9 2.236(4) 3_556
C1 C6 1.396(6) .
C1 C2 1.398(6) .
C1 C7 1.502(6) .
C2 C3 1.390(6) .
C2 C8 1.495(6) .
C3 C4 1.391(6) .
C4 C5 1.395(6) .
C4 C9 1.493(6) .
C5 C6 1.395(6) .
C5 C10 1.510(6) .
C7 O1 1.248(6) .
C7 O2 1.261(6) .
C8 O3 1.256(6) .
C8 O4 1.264(6) .
C8 La2 2.944(4) 4_465
C9 O5 1.246(6) .
C9 O6 1.251(6) .
C10 O8 1.220(6) .
C10 O7 1.277(6) .
C11 C12 1.387(7) .
C11 C13 1.388(6) 3_556
C11 C14 1.505(6) .
C12 C13 1.391(6) .
C12 C15 1.500(6) .
C13 C11 1.388(6) 3_556
C14 O10 1.260(6) .
C14 O9 1.266(6) .
C15 O12 1.255(6) .
C15 O11 1.271(6) .
C20 C25 1.394(6) .
C20 C21 1.395(6) .
C20 C26 1.512(6) .
C21 C22 1.399(6) .
C21 C27 1.491(6) .
C22 C23 1.391(6) .
C23 C24 1.393(6) .
C23 C28 1.513(6) .
C24 C25 1.388(6) .
C24 C29 1.504(6) .
C26 O14 1.230(6) .
C26 O13 1.275(6) .
C27 O16 1.259(6) .
C27 O15 1.259(6) .
C28 O17 1.242(6) .
C28 O18 1.265(6) .
C28 La1 2.971(4) 4_766
C29 O20 1.249(6) .
C29 O19 1.253(6) .
O2 Cu1 1.956(3) 4_565
O3 La2 2.555(3) 4_465
O4 La2 2.612(4) 4_465
O5 La1 2.440(4) 4_666
O9 Cu2 2.236(4) 3_556
O16 La2 2.477(4) 4_565
O17 La1 2.666(4) 4_766
O18 La1 2.568(3) 4_766
O20 Cu2 1.945(3) 4_666
