#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:09:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179654 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/07/4510785.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_4510785
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 H49 Ce2 Cu2 O42'
_chemical_formula_weight         1428.95
_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                 99.89(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.994(2)
_cell_length_b                   23.098(5)
_cell_length_c                   19.838(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4962.8(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 0.981
_diffrn_measured_fraction_theta_max 0.981
_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     0.7380
_diffrn_reflns_av_R_equivalents  0.0640
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            71163
_diffrn_reflns_theta_full        28.25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.06
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF-CRG BM16'
_exptl_absorpt_coefficient_mu    3.197
_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_density_diffrn    1.912
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2836
_exptl_crystal_size_rad          0.1000
_refine_diff_density_max         5.415
_refine_diff_density_min         -2.224
_refine_diff_density_rms         0.225
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         10754
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0692
_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)+(0.1290P)²+30.6394P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2005
_refine_ls_wR_factor_ref         0.2037
_reflns_number_gt                10128
_reflns_number_total             10754
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            2A.cif
_cod_data_source_block           sull340
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'Constr' changed to 'constr'
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_cell_volume        4962.8(17)
_cod_original_sg_symbol_H-M      p21/n
_cod_database_code               4510785
#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
Ce1 Ce -0.46037(3) 0.145282(12) 0.398967(15) 0.01857(13) Uani 1 1 d .
Ce2 Ce 0.85265(3) 0.144201(14) 1.145959(17) 0.02559(13) Uani 1 1 d .
Cu1 Cu 0.09132(6) 0.17861(3) 0.89849(3) 0.02389(18) Uani 1 1 d .
Cu2 Cu 0.30292(6) 0.17930(3) 0.65118(3) 0.02102(17) Uani 1 1 d .
C1 C -0.2472(4) 0.2503(3) 0.5850(2) 0.0205(10) Uani 1 1 d .
C2 C -0.2789(5) 0.2801(2) 0.6416(3) 0.0214(10) Uani 1 1 d .
C3 C -0.2065(5) 0.2740(3) 0.7058(3) 0.0238(11) Uani 1 1 d .
H3 H -0.2270 0.2941 0.7429 0.029 Uiso 1 1 calc R
C4 C -0.1031(4) 0.2379(2) 0.7151(3) 0.0206(10) Uani 1 1 d .
C5 C -0.0710(5) 0.2085(2) 0.6592(3) 0.0209(10) Uani 1 1 d .
C6 C -0.1429(5) 0.2150(3) 0.5944(3) 0.0223(10) Uani 1 1 d .
H6 H -0.1210 0.1955 0.5572 0.027 Uiso 1 1 calc R
C7 C -0.3152(4) 0.2598(3) 0.5137(2) 0.0207(10) Uani 1 1 d .
C8 C -0.3987(5) 0.3122(3) 0.6365(3) 0.0229(10) Uani 1 1 d .
C9 C -0.0350(5) 0.2291(3) 0.7863(3) 0.0217(10) Uani 1 1 d .
C10 C 0.0463(5) 0.1739(3) 0.6643(3) 0.0228(10) Uani 1 1 d .
C11 C -0.1263(5) -0.0037(3) 0.5011(3) 0.0273(11) Uani 1 1 d .
C12 C -0.0784(5) 0.0455(3) 0.4757(4) 0.0327(13) Uani 1 1 d .
C13 C 0.0492(5) 0.0489(3) 0.4751(4) 0.0378(15) Uani 1 1 d .
H13 H 0.0818 0.0821 0.4585 0.045 Uiso 1 1 calc R
C14 C -0.2612(5) -0.0097(3) 0.5081(3) 0.0299(12) Uani 1 1 d .
C15 C -0.1577(6) 0.0950(3) 0.4462(5) 0.052(2) Uani 1 1 d .
C20 C 0.4634(5) 0.2096(2) 0.8901(3) 0.0210(10) Uani 1 1 d .
C21 C 0.4922(5) 0.2410(3) 0.8341(3) 0.0220(10) Uani 1 1 d .
C22 C 0.5928(5) 0.2785(3) 0.8439(3) 0.0233(10) Uani 1 1 d .
H22 H 0.6101 0.3003 0.8073 0.028 Uiso 1 1 calc R
C23 C 0.6674(5) 0.2840(3) 0.9072(3) 0.0218(10) Uani 1 1 d .
C24 C 0.6392(5) 0.2532(3) 0.9636(3) 0.0221(10) Uani 1 1 d .
C25 C 0.5367(5) 0.2160(3) 0.9543(3) 0.0230(11) Uani 1 1 d .
H25 H 0.5175 0.1955 0.9914 0.028 Uiso 1 1 calc R
C26 C 0.3501(5) 0.1722(3) 0.8866(3) 0.0251(11) Uani 1 1 d .
C27 C 0.4232(4) 0.2315(3) 0.7633(3) 0.0224(11) Uani 1 1 d .
C28 C 0.7875(5) 0.3167(3) 0.9127(3) 0.0235(11) Uani 1 1 d .
C29 C 0.7088(5) 0.2609(3) 1.0350(3) 0.0233(11) Uani 1 1 d .
O1 O -0.3528(4) 0.2166(2) 0.4782(2) 0.0304(9) Uani 1 1 d .
O2 O -0.3264(4) 0.3116(2) 0.4935(2) 0.0312(9) Uani 1 1 d .
O3 O -0.4920(4) 0.2915(2) 0.5966(2) 0.0288(9) Uani 1 1 d .
O4 O -0.4065(5) 0.3557(2) 0.6723(3) 0.0392(12) Uani 1 1 d .
O5 O -0.0267(4) 0.2713(2) 0.8267(2) 0.0329(10) Uani 1 1 d .
O6 O 0.0073(4) 0.17959(19) 0.8030(2) 0.0280(9) Uani 1 1 d .
O7 O 0.1444(3) 0.20324(19) 0.6789(2) 0.0257(8) Uani 1 1 d .
O8 O 0.0392(4) 0.1214(2) 0.6509(3) 0.0419(12) Uani 1 1 d .
O9 O -0.3296(4) -0.0397(2) 0.4630(3) 0.0426(11) Uani 1 1 d .
O10 O -0.2976(4) 0.0126(2) 0.5586(3) 0.0400(11) Uani 1 1 d .
O11 O -0.2729(4) 0.0892(2) 0.4397(3) 0.0375(11) Uani 1 1 d .
O12 O -0.1053(6) 0.1386(3) 0.4280(7) 0.135(5) Uani 1 1 d .
O13 O 0.2479(4) 0.1974(2) 0.8665(2) 0.0277(8) Uani 1 1 d .
O14 O 0.3619(5) 0.1216(2) 0.9062(3) 0.0486(14) Uani 1 1 d .
O15 O 0.3857(4) 0.18114(19) 0.7468(2) 0.0277(9) Uani 1 1 d .
O16 O 0.4101(4) 0.2729(2) 0.7220(2) 0.0360(10) Uani 1 1 d .
O17 O 0.7962(4) 0.3613(2) 0.8774(3) 0.0353(10) Uani 1 1 d .
O18 O 0.8811(3) 0.2957(2) 0.9510(2) 0.0269(8) Uani 1 1 d .
O19 O 0.7401(4) 0.2164(2) 1.0700(2) 0.0336(10) Uani 1 1 d .
O20 O 0.7242(4) 0.3120(2) 1.05621(19) 0.0275(9) Uani 1 1 d .
O1W O -0.4771(4) 0.10245(19) 0.5180(2) 0.0299(9) Uani 1 1 d .
O2W O -0.5170(5) 0.0385(2) 0.3871(3) 0.0402(11) Uani 1 1 d .
O3W O -0.4785(6) 0.1083(3) 0.2770(3) 0.0542(15) Uani 1 1 d .
O4W O -0.2798(4) 0.1868(2) 0.3450(3) 0.0378(10) Uani 1 1 d .
O5W O 0.6604(6) 0.1770(3) 1.1953(4) 0.0618(18) Uani 1 1 d .
O6W O 0.8767(11) 0.1068(4) 1.2674(4) 0.096(3) Uani 1 1 d .
O7W O 0.9253(10) 0.0393(3) 1.1582(5) 0.093(3) Uani 1 1 d .
O8W O 0.6709(8) 0.0810(4) 1.1003(6) 0.102(3) Uani 1 1 d .
O9W O 0.8915(8) 0.1043(3) 1.0347(3) 0.071(2) Uani 1 1 d .
O10W O -0.0707(4) 0.1808(2) 0.9321(2) 0.0356(10) Uani 1 1 d .
O11W O 0.1142(10) 0.0842(5) 0.9057(5) 0.104(3) Uiso 1 1 d .
O12W O 0.2697(5) 0.0843(3) 0.6501(3) 0.0440(12) Uani 1 1 d .
O13W O 0.4704(4) 0.1789(2) 0.6203(2) 0.0307(9) Uani 1 1 d .
O1X O 0.8334(7) 0.0631(4) 0.6673(4) 0.074(2) Uani 1 1 d .
O2X O 0.7425(8) 0.1275(5) 0.8557(4) 0.092(3) Uani 1 1 d .
O3X O 0.6483(9) 0.1211(6) 0.7194(5) 0.112(4) Uani 1 1 d .
O4X O 0.8893(13) -0.0644(5) 0.6944(6) 0.144(6) Uani 1 1 d .
O5X O 0.6987(11) -0.0760(6) 0.8033(10) 0.164(6) Uani 1 1 d .
O6X O 0.868(2) 0.0303(9) 0.8073(10) 0.272(14) Uani 1 1 d .
O7X O 0.5824(17) 0.0653(8) 0.9244(16) 0.309(16) Uani 1 1 d .
O8X O 0.5907(16) -0.1152(9) 0.9235(8) 0.191(7) Uani 1 1 d .
O9X O 0.486(3) 0.0263(12) 0.7450(17) 0.182(14) Uani 0.50 1 d P
O11X O 0.221(4) 0.0480(13) 0.7918(10) 0.22(2) Uani 0.50 1 d P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 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 0.2750 1.5240 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0140 0.0080 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.0920 3.1610 '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
O5 Ce1 O1 84.74(15) 4_565 .
O5 Ce1 O11 139.55(16) 4_565 .
O1 Ce1 O11 81.79(17) . .
O5 Ce1 O3W 74.85(19) 4_565 .
O1 Ce1 O3W 142.28(17) . .
O11 Ce1 O3W 93.4(2) . .
O5 Ce1 O2W 131.89(17) 4_565 .
O1 Ce1 O2W 142.99(16) . .
O11 Ce1 O2W 72.38(17) . .
O3W Ce1 O2W 66.93(18) . .
O5 Ce1 O18 70.22(15) 4_565 4_465
O1 Ce1 O18 70.69(14) . 4_465
O11 Ce1 O18 137.69(16) . 4_465
O3W Ce1 O18 127.89(19) . 4_465
O2W Ce1 O18 112.32(15) . 4_465
O5 Ce1 O4W 68.75(16) 4_565 .
O1 Ce1 O4W 72.27(15) . .
O11 Ce1 O4W 70.83(16) . .
O3W Ce1 O4W 70.86(18) . .
O2W Ce1 O4W 120.84(16) . .
O18 Ce1 O4W 126.16(15) 4_465 .
O5 Ce1 O1W 140.87(14) 4_565 .
O1 Ce1 O1W 76.89(15) . .
O11 Ce1 O1W 71.71(15) . .
O3W Ce1 O1W 137.05(18) . .
O2W Ce1 O1W 70.16(16) . .
O18 Ce1 O1W 71.16(13) 4_465 .
O4W Ce1 O1W 134.02(15) . .
O5 Ce1 O17 75.98(16) 4_565 4_465
O1 Ce1 O17 120.59(15) . 4_465
O11 Ce1 O17 142.63(16) . 4_465
O3W Ce1 O17 85.11(19) . 4_465
O2W Ce1 O17 72.80(16) . 4_465
O18 Ce1 O17 49.91(13) 4_465 4_465
O4W Ce1 O17 141.24(16) . 4_465
O1W Ce1 O17 84.10(15) . 4_465
O5 Ce1 C28 68.31(16) 4_565 4_465
O1 Ce1 C28 95.63(16) . 4_465
O11 Ce1 C28 150.81(16) . 4_465
O3W Ce1 C28 105.4(2) . 4_465
O2W Ce1 C28 94.45(17) . 4_465
O18 Ce1 C28 25.16(14) 4_465 4_465
O4W Ce1 C28 136.21(16) . 4_465
O1W Ce1 C28 79.36(14) . 4_465
O17 Ce1 C28 25.09(15) 4_465 4_465
O19 Ce2 O16 84.05(16) . 4_666
O19 Ce2 O9W 81.5(2) . .
O16 Ce2 O9W 140.1(2) 4_666 .
O19 Ce2 O8W 83.5(3) . .
O16 Ce2 O8W 141.2(3) 4_666 .
O9W Ce2 O8W 73.3(3) . .
O19 Ce2 O6W 141.4(3) . .
O16 Ce2 O6W 73.0(2) 4_666 .
O9W Ce2 O6W 135.3(3) . .
O8W Ce2 O6W 95.2(4) . .
O19 Ce2 O7W 145.7(2) . .
O16 Ce2 O7W 129.8(2) 4_666 .
O9W Ce2 O7W 68.6(3) . .
O8W Ce2 O7W 72.5(3) . .
O6W Ce2 O7W 66.7(3) . .
O19 Ce2 O3 70.76(15) . 4_766
O16 Ce2 O3 70.51(15) 4_666 4_766
O9W Ce2 O3 69.7(2) . 4_766
O8W Ce2 O3 137.3(3) . 4_766
O6W Ce2 O3 126.2(3) . 4_766
O7W Ce2 O3 111.5(3) . 4_766
O19 Ce2 O5W 70.90(19) . .
O16 Ce2 O5W 71.4(2) 4_666 .
O9W Ce2 O5W 135.8(3) . .
O8W Ce2 O5W 69.9(3) . .
O6W Ce2 O5W 72.5(3) . .
O7W Ce2 O5W 120.3(3) . .
O3 Ce2 O5W 127.68(17) 4_766 .
O19 Ce2 O4 120.90(15) . 4_766
O16 Ce2 O4 74.40(17) 4_666 4_766
O9W Ce2 O4 81.7(2) . 4_766
O8W Ce2 O4 142.1(3) . 4_766
O6W Ce2 O4 82.7(3) . 4_766
O7W Ce2 O4 72.0(3) . 4_766
O3 Ce2 O4 50.25(14) 4_766 4_766
O5W Ce2 O4 142.2(2) . 4_766
O19 Ce2 C8 96.05(16) . 4_766
O16 Ce2 C8 68.23(16) 4_666 4_766
O9W Ce2 C8 76.6(2) . 4_766
O8W Ce2 C8 149.7(2) . 4_766
O6W Ce2 C8 103.3(3) . 4_766
O7W Ce2 C8 93.0(3) . 4_766
O3 Ce2 C8 25.61(14) 4_766 4_766
O5W Ce2 C8 138.59(19) . 4_766
O4 Ce2 C8 24.85(15) 4_766 4_766
O2 Cu1 O6 172.7(2) 4_666 .
O2 Cu1 O13 90.00(18) 4_666 .
O6 Cu1 O13 88.79(17) . .
O2 Cu1 O10W 88.09(19) 4_666 .
O6 Cu1 O10W 91.33(19) . .
O13 Cu1 O10W 165.9(2) . .
O2 Cu1 O11W 91.3(3) 4_666 .
O6 Cu1 O11W 96.0(3) . .
O13 Cu1 O11W 98.2(3) . .
O10W Cu1 O11W 95.8(3) . .
O20 Cu2 O15 172.75(19) 4_565 .
O20 Cu2 O7 88.49(17) 4_565 .
O15 Cu2 O7 90.56(17) . .
O20 Cu2 O13W 89.09(18) 4_565 .
O15 Cu2 O13W 89.87(18) . .
O7 Cu2 O13W 164.14(19) . .
O20 Cu2 O12W 92.72(19) 4_565 .
O15 Cu2 O12W 94.52(19) . .
O7 Cu2 O12W 97.26(19) . .
O13W Cu2 O12W 98.52(19) . .
C7 O1 Ce1 168.4(4) . .
C7 O2 Cu1 114.8(4) . 4_565
C8 O3 Ce2 93.6(3) . 4_465
C8 O4 Ce2 93.1(4) . 4_465
C9 O5 Ce1 166.2(4) . 4_666
C9 O6 Cu1 110.8(3) . .
C10 O7 Cu2 122.6(4) . .
C15 O11 Ce1 138.8(5) . .
C26 O13 Cu1 124.7(4) . .
C27 O15 Cu2 110.4(4) . .
C27 O16 Ce2 171.1(4) . 4_565
C28 O17 Ce1 92.0(3) . 4_766
C28 O18 Ce1 95.3(3) . 4_766
C29 O19 Ce2 164.5(4) . .
C29 O20 Cu2 115.7(4) . 4_666
C6 C1 C2 119.3(4) . .
C6 C1 C7 118.6(5) . .
C2 C1 C7 121.9(5) . .
C3 C2 C1 120.0(5) . .
C3 C2 C8 118.0(5) . .
C1 C2 C8 121.5(5) . .
C2 C3 C4 120.4(5) . .
C5 C4 C3 119.8(5) . .
C5 C4 C9 122.0(5) . .
C3 C4 C9 118.1(5) . .
C4 C5 C6 119.9(5) . .
C4 C5 C10 122.4(4) . .
C6 C5 C10 117.4(5) . .
C1 C6 C5 120.6(5) . .
O1 C7 O2 125.0(5) . .
O1 C7 C1 118.6(5) . .
O2 C7 C1 116.4(5) . .
O4 C8 O3 122.1(5) . .
O4 C8 C2 120.6(5) . .
O3 C8 C2 117.2(5) . .
O4 C8 Ce2 62.1(3) . 4_465
O3 C8 Ce2 60.8(3) . 4_465
C2 C8 Ce2 167.8(4) . 4_465
O5 C9 O6 123.8(5) . .
O5 C9 C4 117.9(5) . .
O6 C9 C4 118.3(5) . .
O8 C10 O7 126.4(5) . .
O8 C10 C5 118.9(5) . .
O7 C10 C5 114.6(5) . .
C13 C11 C12 119.8(5) 3_556 .
C13 C11 C14 117.0(5) 3_556 .
C12 C11 C14 123.1(5) . .
C11 C12 C13 119.5(6) . .
C11 C12 C15 122.6(5) . .
C13 C12 C15 117.9(6) . .
C11 C13 C12 120.7(6) 3_556 .
O10 C14 O9 123.8(5) . .
O10 C14 C11 119.2(6) . .
O9 C14 C11 116.9(5) . .
O12 C15 O11 124.4(7) . .
O12 C15 C12 117.7(6) . .
O11 C15 C12 117.9(6) . .
C25 C20 C21 119.6(5) . .
C25 C20 C26 116.5(5) . .
C21 C20 C26 123.7(5) . .
C22 C21 C20 119.4(5) . .
C22 C21 C27 119.1(5) . .
C20 C21 C27 121.3(5) . .
C23 C22 C21 121.1(5) . .
C22 C23 C24 120.0(5) . .
C22 C23 C28 119.1(5) . .
C24 C23 C28 120.4(5) . .
C25 C24 C23 119.2(5) . .
C25 C24 C29 117.7(5) . .
C23 C24 C29 123.1(5) . .
C20 C25 C24 120.7(5) . .
O14 C26 O13 125.1(5) . .
O14 C26 C20 119.2(5) . .
O13 C26 C20 115.5(5) . .
O16 C27 O15 122.8(5) . .
O16 C27 C21 119.0(5) . .
O15 C27 C21 118.1(5) . .
O17 C28 O18 121.1(5) . .
O17 C28 C23 121.3(5) . .
O18 C28 C23 117.5(5) . .
O17 C28 Ce1 62.9(3) . 4_766
O18 C28 Ce1 59.5(3) . 4_766
C23 C28 Ce1 164.1(4) . 4_766
O20 C29 O19 125.3(5) . .
O20 C29 C24 116.5(5) . .
O19 C29 C24 118.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O5 2.437(4) 4_565
Ce1 O1 2.438(4) .
Ce1 O11 2.451(4) .
Ce1 O3W 2.541(5) .
Ce1 O2W 2.544(5) .
Ce1 O18 2.565(4) 4_465
Ce1 O4W 2.595(5) .
Ce1 O1W 2.596(4) .
Ce1 O17 2.641(5) 4_465
Ce1 C28 2.964(5) 4_465
Ce2 O19 2.437(4) .
Ce2 O16 2.453(5) 4_666
Ce2 O9W 2.497(6) .
Ce2 O8W 2.514(7) .
Ce2 O6W 2.531(7) .
Ce2 O7W 2.549(8) .
Ce2 O3 2.580(4) 4_766
Ce2 O5W 2.590(6) .
Ce2 O4 2.610(5) 4_766
Ce2 C8 2.949(5) 4_766
Cu1 O2 1.959(4) 4_666
Cu1 O6 1.960(4) .
Cu1 O13 1.982(4) .
Cu1 O10W 2.008(5) .
Cu1 O11W 2.197(11) .
Cu2 O20 1.944(4) 4_565
Cu2 O15 1.959(4) .
Cu2 O7 1.994(4) .
Cu2 O13W 2.038(4) .
Cu2 O12W 2.223(6) .
O1 C7 1.251(7) .
O2 C7 1.260(7) .
O2 Cu1 1.959(4) 4_565
O3 C8 1.277(7) .
O3 Ce2 2.580(4) 4_465
O4 C8 1.241(7) .
O4 Ce2 2.610(5) 4_465
O5 C9 1.254(7) .
O5 Ce1 2.437(4) 4_666
O6 C9 1.258(7) .
O7 C10 1.265(7) .
O8 C10 1.240(8) .
O9 C14 1.273(8) .
O10 C14 1.251(8) .
O11 C15 1.258(8) .
O12 C15 1.242(10) .
O13 C26 1.268(7) .
O14 C26 1.231(8) .
O15 C27 1.258(7) .
O16 C27 1.251(7) .
O16 Ce2 2.453(5) 4_565
O17 C28 1.258(7) .
O17 Ce1 2.641(5) 4_766
O18 C28 1.266(7) .
O18 Ce1 2.565(4) 4_766
O19 C29 1.256(7) .
O20 C29 1.254(8) .
O20 Cu2 1.944(4) 4_666
C1 C6 1.394(7) .
C1 C2 1.410(7) .
C1 C7 1.497(7) .
C2 C3 1.390(7) .
C2 C8 1.500(7) .
C3 C4 1.396(7) .
C4 C5 1.396(7) .
C4 C9 1.495(7) .
C5 C6 1.398(7) .
C5 C10 1.506(7) .
C8 Ce2 2.949(5) 4_465
C11 C13 1.376(8) 3_556
C11 C12 1.383(9) .
C11 C14 1.519(7) .
C12 C13 1.407(8) .
C12 C15 1.496(9) .
C13 C11 1.376(8) 3_556
C20 C25 1.395(7) .
C20 C21 1.407(7) .
C20 C26 1.508(7) .
C21 C22 1.392(8) .
C21 C27 1.494(7) .
C22 C23 1.383(7) .
C23 C24 1.403(7) .
C23 C28 1.510(7) .
C24 C25 1.403(7) .
C24 C29 1.501(7) .
C28 Ce1 2.964(5) 4_766
