#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:09:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179654 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/07/4510783.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_4510783
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 H51 Cu2 La2 O43'
_chemical_formula_weight         1444.54
_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                 99.91(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.006(2)
_cell_length_b                   23.228(5)
_cell_length_c                   19.847(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4998.1(18)
_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      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9.6
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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     0.73790
_diffrn_reflns_av_R_equivalents  0.0709
_diffrn_reflns_av_sigmaI/netI    0.0461
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34112
_diffrn_reflns_theta_full        25.78
_diffrn_reflns_theta_max         25.78
_diffrn_reflns_theta_min         4.24
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF-CRG BM16'
_exptl_absorpt_coefficient_mu    2.831
_exptl_absorpt_correction_T_max  0.1455
_exptl_absorpt_correction_T_min  0.1253
_exptl_absorpt_correction_type   cylinder
_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_density_diffrn    1.920
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2868
_exptl_crystal_size_rad          0.5000
_refine_diff_density_max         4.571
_refine_diff_density_min         -1.551
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         8448
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0795
_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)+(0.1088P)²+75.4852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2065
_refine_ls_wR_factor_ref         0.2093
_reflns_number_gt                7807
_reflns_number_total             8448
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1A.cif
_cod_data_source_block           1A
_cod_original_cell_volume        4998.2(17)
_cod_original_sg_symbol_H-M      p21/n
_cod_database_code               4510783
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_correction_t_ave  0.1372
#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 -0.46193(4) 0.14439(2) 0.39823(2) 0.02083(18) Uani 1 1 d .
La2 La 0.85114(5) 0.14369(2) 1.14473(3) 0.02626(19) Uani 1 1 d .
Cu1 Cu 0.09015(9) 0.17962(5) 0.89752(5) 0.0248(3) Uani 1 1 d .
Cu2 Cu 0.30133(9) 0.17992(5) 0.65004(5) 0.0229(3) Uani 1 1 d .
C1 C -0.2481(7) 0.2503(4) 0.5838(4) 0.0245(17) Uani 1 1 d .
C2 C -0.2794(7) 0.2798(4) 0.6411(4) 0.0255(17) Uani 1 1 d .
C3 C -0.2076(7) 0.2740(4) 0.7040(4) 0.0262(18) Uani 1 1 d .
H013 H -0.2282 0.2941 0.7410 0.031 Uiso 1 1 calc R
C4 C -0.1041(7) 0.2384(4) 0.7141(4) 0.0244(17) Uani 1 1 d .
C5 C -0.0718(7) 0.2088(4) 0.6584(4) 0.0236(17) Uani 1 1 d .
C6 C -0.1434(7) 0.2156(4) 0.5937(4) 0.0254(17) Uani 1 1 d .
H006 H -0.1208 0.1966 0.5565 0.030 Uiso 1 1 calc R
C7 C -0.3167(7) 0.2595(4) 0.5129(4) 0.0219(17) Uani 1 1 d .
C8 C -0.3986(8) 0.3117(4) 0.6349(5) 0.0281(19) Uani 1 1 d .
C9 C -0.0358(7) 0.2298(4) 0.7850(4) 0.0252(18) Uani 1 1 d .
C10 C 0.0444(7) 0.1746(4) 0.6634(4) 0.0247(18) Uani 1 1 d .
C11 C -0.1271(8) -0.0036(4) 0.5020(5) 0.0311(19) Uani 1 1 d .
C12 C -0.0770(9) 0.0457(4) 0.4765(6) 0.036(2) Uani 1 1 d .
C13 C 0.0484(8) 0.0484(4) 0.4755(5) 0.037(2) Uani 1 1 d .
H020 H 0.0805 0.0816 0.4591 0.044 Uiso 1 1 calc R
C14 C -0.2606(8) -0.0100(4) 0.5082(5) 0.032(2) Uani 1 1 d .
C15 C -0.1591(10) 0.0943(5) 0.4461(7) 0.052(3) Uani 1 1 d .
C20 C 0.4620(7) 0.2100(4) 0.8890(4) 0.0242(17) Uani 1 1 d .
C21 C 0.4912(7) 0.2407(4) 0.8329(4) 0.0219(16) Uani 1 1 d .
C22 C 0.5911(7) 0.2782(4) 0.8431(4) 0.0263(18) Uani 1 1 d .
H014 H 0.6086 0.2997 0.8064 0.032 Uiso 1 1 calc R
C23 C 0.6651(7) 0.2842(4) 0.9065(4) 0.0232(17) Uani 1 1 d .
C24 C 0.6363(7) 0.2533(4) 0.9621(4) 0.0224(17) Uani 1 1 d .
C25 C 0.5351(7) 0.2169(4) 0.9531(4) 0.0261(18) Uani 1 1 d .
H002 H 0.5158 0.1967 0.9903 0.031 Uiso 1 1 calc R
C26 C 0.3485(8) 0.1732(4) 0.8851(4) 0.0269(18) Uani 1 1 d .
C27 C 0.4221(7) 0.2318(4) 0.7618(4) 0.0268(19) Uani 1 1 d .
C28 C 0.7852(7) 0.3169(4) 0.9115(4) 0.0267(18) Uani 1 1 d .
C29 C 0.7072(7) 0.2607(4) 1.0335(4) 0.0270(19) Uani 1 1 d .
O1 O -0.3544(6) 0.2169(3) 0.4780(3) 0.0313(14) Uani 1 1 d .
O2 O -0.3267(6) 0.3112(3) 0.4920(3) 0.0316(14) Uani 1 1 d .
O3 O -0.4934(5) 0.2917(3) 0.5954(3) 0.0287(13) Uani 1 1 d .
O4 O -0.4073(6) 0.3554(3) 0.6707(4) 0.0376(17) Uani 1 1 d .
O5 O -0.0262(6) 0.2716(3) 0.8253(3) 0.0351(15) Uani 1 1 d .
O6 O 0.0070(5) 0.1807(3) 0.8020(3) 0.0281(13) Uani 1 1 d .
O7 O 0.1437(5) 0.2038(3) 0.6776(3) 0.0273(13) Uani 1 1 d .
O8 O 0.0381(6) 0.1226(3) 0.6512(4) 0.0426(17) Uani 1 1 d .
O9 O -0.3281(6) -0.0397(3) 0.4643(4) 0.0453(18) Uani 1 1 d .
O10 O -0.2970(6) 0.0129(3) 0.5581(4) 0.0414(17) Uani 1 1 d .
O11 O -0.2710(6) 0.0890(3) 0.4402(4) 0.0404(17) Uani 1 1 d .
O12 O -0.1049(8) 0.1378(5) 0.4287(10) 0.130(7) Uani 1 1 d .
O13 O 0.2464(5) 0.1987(3) 0.8657(3) 0.0283(13) Uani 1 1 d .
O14 O 0.3588(7) 0.1231(3) 0.9047(4) 0.0477(19) Uani 1 1 d .
O15 O 0.3846(6) 0.1817(3) 0.7453(3) 0.0296(13) Uani 1 1 d .
O16 O 0.4098(6) 0.2730(3) 0.7210(3) 0.0362(15) Uani 1 1 d .
O17 O 0.7922(6) 0.3614(3) 0.8765(4) 0.0382(16) Uani 1 1 d .
O18 O 0.8788(5) 0.2960(3) 0.9502(3) 0.0286(13) Uani 1 1 d .
O19 O 0.7391(6) 0.2164(3) 1.0684(3) 0.0366(15) Uani 1 1 d .
O20 O 0.7229(6) 0.3117(3) 1.0552(3) 0.0300(14) Uani 1 1 d .
O1W O -0.4797(6) 0.1019(3) 0.5177(3) 0.0324(14) Uani 1 1 d .
O2W O -0.5171(8) 0.0371(3) 0.3872(4) 0.052(2) Uani 1 1 d .
O3W O -0.4804(8) 0.1067(4) 0.2748(4) 0.058(2) Uani 1 1 d .
O4W O -0.2781(6) 0.1852(3) 0.3451(4) 0.0384(16) Uani 1 1 d .
O5W O 0.6581(8) 0.1771(4) 1.1942(5) 0.059(2) Uani 1 1 d .
O6W O 0.8773(15) 0.1067(5) 1.2671(5) 0.104(5) Uani 1 1 d .
O7W O 0.9172(15) 0.0374(4) 1.1580(6) 0.103(4) Uani 1 1 d .
O8W O 0.6670(10) 0.0817(6) 1.0970(7) 0.099(4) Uani 1 1 d .
O9W O 0.8902(11) 0.1035(4) 1.0320(4) 0.070(3) Uani 1 1 d .
O10W O -0.0721(6) 0.1818(3) 0.9313(3) 0.0330(14) Uani 1 1 d .
O11W O 0.1053(13) 0.0835(4) 0.9057(6) 0.094(4) Uani 1 1 d .
O12W O 0.2702(7) 0.0840(3) 0.6488(4) 0.0419(16) Uani 1 1 d .
O13W O 0.4689(5) 0.1797(3) 0.6185(3) 0.0328(14) Uani 1 1 d .
O1X O 0.8334(9) 0.0645(5) 0.6673(5) 0.068(3) Uani 1 1 d .
O2X O 0.7427(10) 0.1285(6) 0.8557(6) 0.088(4) Uani 1 1 d .
O3X O 0.6490(12) 0.1236(7) 0.7197(7) 0.111(5) Uani 1 1 d .
O4X O 0.8906(16) -0.0640(6) 0.6916(7) 0.136(7) Uani 1 1 d .
O5X O 0.7033(14) -0.0749(7) 0.8056(11) 0.141(6) Uani 1 1 d .
O6X O 0.871(3) 0.0316(10) 0.8073(11) 0.209(12) Uani 1 1 d .
O7X O 0.582(2) 0.0684(9) 0.925(2) 0.30(2) Uani 1 1 d .
O8X O 0.595(3) -0.1152(12) 0.9264(12) 0.211(12) Uani 1 1 d .
O9X O 0.490(3) 0.0282(11) 0.7418(17) 0.262(16) Uani 1 1 d .
O10X O 0.792(5) -0.0496(17) 1.2104(15) 0.41(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 0.0030 0.0020 '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'
Cu Cu 0.3200 1.2650 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2870 2.4520 '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
O2 Cu1 O6 173.0(3) 4_666 .
O2 Cu1 O13 89.6(3) 4_666 .
O6 Cu1 O13 88.6(3) . .
O2 Cu1 O10W 88.5(3) 4_666 .
O6 Cu1 O10W 91.6(3) . .
O13 Cu1 O10W 165.6(3) . .
O2 Cu1 O11W 91.3(4) 4_666 .
O6 Cu1 O11W 95.7(4) . .
O13 Cu1 O11W 100.9(4) . .
O10W Cu1 O11W 93.5(4) . .
O20 Cu2 O15 172.9(3) 4_565 .
O20 Cu2 O7 88.6(2) 4_565 .
O15 Cu2 O7 90.8(2) . .
O20 Cu2 O13W 88.7(3) 4_565 .
O15 Cu2 O13W 89.9(3) . .
O7 Cu2 O13W 163.9(3) . .
O20 Cu2 O12W 92.7(3) 4_565 .
O15 Cu2 O12W 94.4(3) . .
O7 Cu2 O12W 98.1(3) . .
O13W Cu2 O12W 97.9(3) . .
O5 La1 O1 83.9(2) 4_565 .
O5 La1 O11 138.6(2) 4_565 .
O1 La1 O11 81.6(2) . .
O5 La1 O2W 132.9(3) 4_565 .
O1 La1 O2W 142.9(3) . .
O11 La1 O2W 72.5(3) . .
O5 La1 O3W 75.1(3) 4_565 .
O1 La1 O3W 142.4(2) . .
O11 La1 O3W 93.8(3) . .
O2W La1 O3W 67.1(3) . .
O5 La1 O18 70.3(2) 4_565 4_465
O1 La1 O18 70.2(2) . 4_465
O11 La1 O18 137.5(2) . 4_465
O2W La1 O18 112.8(2) . 4_465
O3W La1 O18 127.9(3) . 4_465
O5 La1 O1W 141.0(2) 4_565 .
O1 La1 O1W 77.2(2) . .
O11 La1 O1W 71.9(2) . .
O2W La1 O1W 69.9(2) . .
O3W La1 O1W 136.9(3) . .
O18 La1 O1W 71.2(2) 4_465 .
O5 La1 O4W 68.9(2) 4_565 .
O1 La1 O4W 72.1(2) . .
O11 La1 O4W 69.8(2) . .
O2W La1 O4W 120.4(2) . .
O3W La1 O4W 71.3(2) . .
O18 La1 O4W 126.3(2) 4_465 .
O1W La1 O4W 133.5(2) . .
O5 La1 O17 76.3(2) 4_565 4_465
O1 La1 O17 119.9(2) . 4_465
O11 La1 O17 143.5(2) . 4_465
O2W La1 O17 73.7(3) . 4_465
O3W La1 O17 85.2(3) . 4_465
O18 La1 O17 49.68(19) 4_465 4_465
O1W La1 O17 84.0(2) . 4_465
O4W La1 O17 141.9(2) . 4_465
O5 La1 C28 68.5(2) 4_565 4_465
O1 La1 C28 95.1(2) . 4_465
O11 La1 C28 151.2(2) . 4_465
O2W La1 C28 95.2(3) . 4_465
O3W La1 C28 105.4(3) . 4_465
O18 La1 C28 25.1(2) 4_465 4_465
O1W La1 C28 79.4(2) . 4_465
O4W La1 C28 136.5(2) . 4_465
O17 La1 C28 24.9(2) 4_465 4_465
O19 La2 O16 83.7(2) . 4_666
O19 La2 O9W 81.5(3) . .
O16 La2 O9W 139.8(3) 4_666 .
O19 La2 O8W 82.9(4) . .
O16 La2 O8W 141.4(3) 4_666 .
O9W La2 O8W 72.9(4) . .
O19 La2 O6W 141.6(4) . .
O16 La2 O6W 72.9(3) 4_666 .
O9W La2 O6W 135.3(4) . .
O8W La2 O6W 96.7(5) . .
O19 La2 O7W 145.7(3) . .
O16 La2 O7W 130.4(4) 4_666 .
O9W La2 O7W 69.4(3) . .
O8W La2 O7W 71.8(5) . .
O6W La2 O7W 66.1(4) . .
O19 La2 O3 70.3(2) . 4_766
O16 La2 O3 70.0(2) 4_666 4_766
O9W La2 O3 69.8(3) . 4_766
O8W La2 O3 136.5(3) . 4_766
O6W La2 O3 125.6(4) . 4_766
O7W La2 O3 113.6(4) . 4_766
O19 La2 O5W 70.9(3) . .
O16 La2 O5W 71.4(3) 4_666 .
O9W La2 O5W 135.8(4) . .
O8W La2 O5W 70.0(3) . .
O6W La2 O5W 72.9(4) . .
O7W La2 O5W 118.8(4) . .
O3 La2 O5W 127.2(2) 4_766 .
O19 La2 O4 120.1(2) . 4_766
O16 La2 O4 74.0(2) 4_666 4_766
O9W La2 O4 81.7(3) . 4_766
O8W La2 O4 142.9(3) . 4_766
O6W La2 O4 82.6(4) . 4_766
O7W La2 O4 74.2(4) . 4_766
O3 La2 O4 49.90(19) 4_766 4_766
O5W La2 O4 142.1(3) . 4_766
O19 La2 C8 95.3(2) . 4_766
O16 La2 C8 67.7(2) 4_666 4_766
O9W La2 C8 76.7(3) . 4_766
O8W La2 C8 149.5(3) . 4_766
O6W La2 C8 103.0(4) . 4_766
O7W La2 C8 95.3(4) . 4_766
O3 La2 C8 25.3(2) 4_766 4_766
O5W La2 C8 138.0(3) . 4_766
O4 La2 C8 24.8(2) 4_766 4_766
C7 O1 La1 168.9(6) . .
C7 O2 Cu1 114.7(5) . 4_565
C8 O3 La2 94.6(5) . 4_465
C8 O4 La2 94.0(5) . 4_465
C9 O5 La1 167.4(6) . 4_666
C9 O6 Cu1 111.2(5) . .
C10 O7 Cu2 123.1(6) . .
C15 O11 La1 139.5(6) . .
C26 O13 Cu1 124.7(6) . .
C27 O15 Cu2 110.4(5) . .
C27 O16 La2 170.6(6) . 4_565
C28 O17 La1 91.5(5) . 4_766
C28 O18 La1 95.1(5) . 4_766
C29 O19 La2 165.3(6) . .
C29 O20 Cu2 115.9(5) . 4_666
C6 C1 C2 118.4(7) . .
C6 C1 C7 119.2(7) . .
C2 C1 C7 122.2(8) . .
C3 C2 C1 120.2(8) . .
C3 C2 C8 119.1(8) . .
C1 C2 C8 120.3(7) . .
C2 C3 C4 121.3(8) . .
C3 C4 C5 119.4(8) . .
C3 C4 C9 118.8(7) . .
C5 C4 C9 121.7(8) . .
C4 C5 C6 119.5(8) . .
C4 C5 C10 122.7(7) . .
C6 C5 C10 117.6(7) . .
C1 C6 C5 121.2(8) . .
O1 C7 O2 124.8(8) . .
O1 C7 C1 118.6(8) . .
O2 C7 C1 116.4(7) . .
O4 C8 O3 120.5(8) . .
O4 C8 C2 120.6(8) . .
O3 C8 C2 118.8(8) . .
O4 C8 La2 61.2(5) . 4_465
O3 C8 La2 60.0(4) . 4_465
C2 C8 La2 167.3(6) . 4_465
O5 C9 O6 123.1(8) . .
O5 C9 C4 118.3(8) . .
O6 C9 C4 118.6(8) . .
O8 C10 O7 125.6(8) . .
O8 C10 C5 119.4(7) . .
O7 C10 C5 115.0(8) . .
C13 C11 C12 118.0(8) 3_556 .
C13 C11 C14 117.9(8) 3_556 .
C12 C11 C14 124.2(8) . .
C13 C12 C11 119.9(9) . .
C13 C12 C15 119.3(9) . .
C11 C12 C15 120.7(9) . .
C11 C13 C12 122.1(9) 3_556 .
O9 C14 O10 123.6(9) . .
O9 C14 C11 118.1(8) . .
O10 C14 C11 118.3(8) . .
O11 C15 O12 125.1(9) . .
O11 C15 C12 119.2(9) . .
O12 C15 C12 115.7(9) . .
C25 C20 C21 119.3(8) . .
C25 C20 C26 117.1(7) . .
C21 C20 C26 123.3(7) . .
C22 C21 C20 119.1(7) . .
C22 C21 C27 119.0(7) . .
C20 C21 C27 121.9(7) . .
C23 C22 C21 121.5(8) . .
C22 C23 C24 119.3(8) . .
C22 C23 C28 118.8(7) . .
C24 C23 C28 121.3(7) . .
C25 C24 C23 119.8(7) . .
C25 C24 C29 117.7(7) . .
C23 C24 C29 122.3(7) . .
C24 C25 C20 120.9(8) . .
O14 C26 O13 124.6(8) . .
O14 C26 C20 119.5(8) . .
O13 C26 C20 115.7(8) . .
O16 C27 O15 123.2(8) . .
O16 C27 C21 119.1(8) . .
O15 C27 C21 117.6(8) . .
O17 C28 O18 121.9(8) . .
O17 C28 C23 120.9(8) . .
O18 C28 C23 117.2(8) . .
O17 C28 La1 63.6(4) . 4_766
O18 C28 La1 59.7(4) . 4_766
C23 C28 La1 164.8(6) . 4_766
O19 C29 O20 124.8(8) . .
O19 C29 C24 118.5(8) . .
O20 C29 C24 116.4(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O5 2.460(6) 4_565
La1 O1 2.469(6) .
La1 O11 2.483(6) .
La1 O2W 2.565(7) .
La1 O3W 2.576(7) .
La1 O18 2.584(6) 4_465
La1 O1W 2.606(6) .
La1 O4W 2.615(6) .
La1 O17 2.669(7) 4_465
La1 C28 2.980(8) 4_465
La2 O19 2.455(6) .
La2 O16 2.473(6) 4_666
La2 O9W 2.529(8) .
La2 O8W 2.532(9) .
La2 O6W 2.545(9) .
La2 O7W 2.573(10) .
La2 O3 2.591(6) 4_766
La2 O5W 2.608(8) .
La2 O4 2.619(7) 4_766
La2 C8 2.981(9) 4_766
Cu1 O2 1.952(6) 4_666
Cu1 O6 1.959(6) .
Cu1 O13 1.982(6) .
Cu1 O10W 2.012(6) .
Cu1 O11W 2.243(10) .
Cu2 O20 1.941(6) 4_565
Cu2 O15 1.955(6) .
Cu2 O7 1.986(6) .
Cu2 O13W 2.047(6) .
Cu2 O12W 2.253(7) .
O1 C7 1.239(11) .
O2 C7 1.270(11) .
O2 Cu1 1.952(6) 4_565
O3 C8 1.280(11) .
O3 La2 2.591(6) 4_465
O4 C8 1.252(11) .
O4 La2 2.619(7) 4_465
O5 C9 1.250(11) .
O5 La1 2.460(6) 4_666
O6 C9 1.259(11) .
O7 C10 1.276(10) .
O8 C10 1.232(12) .
O9 C14 1.250(12) .
O10 C14 1.250(12) .
O11 C15 1.223(13) .
O13 C26 1.270(11) .
O14 C26 1.226(12) .
O15 C27 1.259(11) .
O16 C27 1.247(11) .
O16 La2 2.473(6) 4_565
O17 C28 1.256(11) .
O17 La1 2.669(7) 4_766
O18 C28 1.270(11) .
O18 La1 2.584(6) 4_766
O19 C29 1.255(11) .
O20 C29 1.262(11) .
O20 Cu2 1.941(6) 4_666
C1 C6 1.392(12) .
C1 C2 1.420(12) .
C1 C7 1.492(11) .
C2 C3 1.365(12) .
C2 C8 1.493(12) .
C3 C4 1.393(12) .
C4 C5 1.398(12) .
C4 C9 1.490(11) .
C5 C6 1.395(11) .
C5 C10 1.494(12) .
C8 La2 2.981(8) 4_465
C11 C13 1.380(13) 3_556
C11 C12 1.402(13) .
C11 C14 1.502(13) .
C12 C13 1.384(13) .
C12 C15 1.507(13) .
C13 C11 1.380(13) 3_556
C15 O12 1.250(14) .
C20 C25 1.393(12) .
C20 C21 1.405(12) .
C20 C26 1.504(12) .
C21 C22 1.390(12) .
C21 C27 1.498(11) .
C22 C23 1.384(12) .
C23 C24 1.396(12) .
C23 C28 1.513(11) .
C24 C25 1.386(12) .
C24 C29 1.505(11) .
C28 La1 2.980(8) 4_766
