#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:09:40 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179654 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/07/4510787.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_4510787
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 Ce2 Cu2 O40'
_chemical_formula_weight         1392.93
_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                 99.312(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9718(2)
_cell_length_b                   20.2668(3)
_cell_length_c                   19.7821(5)
_cell_measurement_reflns_used    19055
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.7970
_cell_measurement_theta_min      1.9350
_cell_volume                     4340.84(15)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type
'dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images'
_diffrn_radiation_monochromator  synchrotron
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0368
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33514
_diffrn_reflns_theta_full        23.90
_diffrn_reflns_theta_max         23.90
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    2.743
_exptl_absorpt_correction_T_max  0.5639
_exptl_absorpt_correction_T_min  0.5558
_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    2.131
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2756
_exptl_crystal_size_rad          0.1500
_refine_diff_density_max         2.998
_refine_diff_density_min         -0.945
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         7298
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0461
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0711P)²+20.0632P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1213
_refine_ls_wR_factor_ref         0.1266
_reflns_number_gt                6419
_reflns_number_total             7298
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            2B.cif
_cod_data_source_block           sull368b-
_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.

'_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_sg_symbol_H-M      P21/n
_cod_database_code               4510787
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_correction_t_ave  0.5597
#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 -0.46259(3) 0.126387(14) 0.344202(16) 0.01602(12) Uani 1 1 d .
Ce2 Ce 0.84233(3) 0.124424(14) 1.081666(17) 0.02004(12) Uani 1 1 d .
Cu1 Cu 0.08106(6) 0.17329(3) 0.83090(3) 0.02022(18) Uani 1 1 d .
Cu2 Cu 0.29567(6) 0.17389(3) 0.58821(3) 0.01741(17) Uani 1 1 d .
C1 C -0.2536(5) 0.2594(3) 0.5202(3) 0.0178(11) Uani 1 1 d .
C2 C -0.2856(5) 0.2959(3) 0.5755(3) 0.0192(11) Uani 1 1 d .
C3 C -0.2124(5) 0.2922(3) 0.6394(3) 0.0216(12) Uani 1 1 d .
H3 H -0.2312 0.3179 0.6752 0.026 Uiso 1 1 calc R
C4 C -0.1106(5) 0.2501(3) 0.6502(3) 0.0203(12) Uani 1 1 d .
C5 C -0.0784(5) 0.2136(3) 0.5958(3) 0.0185(11) Uani 1 1 d .
C6 C -0.1500(5) 0.2187(3) 0.5311(3) 0.0198(12) Uani 1 1 d .
H6 H -0.1284 0.1947 0.4947 0.024 Uiso 1 1 calc R
C7 C -0.3232(4) 0.2672(3) 0.4489(3) 0.0190(12) Uani 1 1 d .
C8 C -0.4067(5) 0.3314(3) 0.5692(3) 0.0198(12) Uani 1 1 d .
C9 C -0.0433(5) 0.2405(3) 0.7214(3) 0.0207(12) Uani 1 1 d .
C10 C 0.0374(5) 0.1722(3) 0.6053(3) 0.0205(12) Uani 1 1 d .
C11 C -0.1260(5) -0.0130(3) 0.4878(3) 0.0224(12) Uani 1 1 d .
C12 C -0.0764(5) 0.0344(3) 0.4485(3) 0.0212(12) Uani 1 1 d .
C13 C 0.0497(5) 0.0462(3) 0.4612(3) 0.0232(12) Uani 1 1 d .
H13 H 0.0834 0.0772 0.4348 0.028 Uiso 1 1 calc R
C14 C -0.2613(5) -0.0299(3) 0.4770(3) 0.0227(12) Uani 1 1 d .
C15 C -0.1559(5) 0.0739(3) 0.3948(3) 0.0244(13) Uani 1 1 d .
C20 C 0.4585(5) 0.2060(3) 0.8257(3) 0.0205(12) Uani 1 1 d .
C21 C 0.4875(5) 0.2427(3) 0.7698(3) 0.0186(11) Uani 1 1 d .
C22 C 0.5898(5) 0.2847(3) 0.7813(3) 0.0205(12) Uani 1 1 d .
H22 H 0.6089 0.3101 0.7452 0.025 Uiso 1 1 calc R
C23 C 0.6637(5) 0.2894(3) 0.8451(3) 0.0177(11) Uani 1 1 d .
C24 C 0.6347(5) 0.2517(3) 0.8998(3) 0.0178(11) Uani 1 1 d .
C25 C 0.5319(5) 0.2104(3) 0.8893(3) 0.0202(12) Uani 1 1 d .
H25 H 0.5124 0.1855 0.9255 0.024 Uiso 1 1 calc R
C27 C 0.4190(5) 0.2334(3) 0.6994(3) 0.0193(12) Uani 1 1 d .
C28 C 0.7834(5) 0.3274(3) 0.8527(3) 0.0194(12) Uani 1 1 d .
C29 C 0.7028(4) 0.2589(3) 0.9716(3) 0.0173(11) Uani 1 1 d .
O1 O -0.3592(3) 0.21692(19) 0.41510(19) 0.0219(8) Uani 1 1 d .
O2 O -0.3371(4) 0.32570(19) 0.4264(2) 0.0247(9) Uani 1 1 d .
O3 O -0.4998(3) 0.30619(18) 0.5313(2) 0.0215(8) Uani 1 1 d .
O4 O -0.4176(4) 0.38197(19) 0.6054(2) 0.0264(9) Uani 1 1 d .
O5 O -0.0379(4) 0.2876(2) 0.7626(2) 0.0264(9) Uani 1 1 d .
O6 O 0.0001(4) 0.1842(2) 0.7363(2) 0.0261(9) Uani 1 1 d .
O7 O 0.1375(3) 0.20500(19) 0.6136(2) 0.0221(8) Uani 1 1 d .
O8 O 0.0296(4) 0.1119(2) 0.6019(2) 0.0321(10) Uani 1 1 d .
O9 O -0.3068(4) -0.06485(19) 0.4260(2) 0.0291(10) Uani 1 1 d .
O10 O -0.3210(4) -0.0096(2) 0.5225(2) 0.0298(10) Uani 1 1 d .
O11 O -0.2717(3) 0.07398(18) 0.3956(2) 0.0227(9) Uani 1 1 d .
O12 O -0.1055(4) 0.1060(2) 0.3524(2) 0.0380(11) Uani 1 1 d .
O13 O 0.2413(3) 0.19707(19) 0.8024(2) 0.0230(9) Uani 1 1 d .
O14 O 0.3498(4) 0.1072(2) 0.8399(2) 0.0349(11) Uani 1 1 d .
O15 O 0.3763(3) 0.17686(19) 0.6840(2) 0.0230(9) Uani 1 1 d .
O16 O 0.4102(3) 0.28142(19) 0.6587(2) 0.0244(9) Uani 1 1 d .
O17 O 0.7922(4) 0.38034(18) 0.8211(2) 0.0250(9) Uani 1 1 d .
O18 O 0.8768(3) 0.30132(18) 0.88932(19) 0.0208(8) Uani 1 1 d .
O19 O 0.7312(3) 0.20790(19) 1.0065(2) 0.0218(8) Uani 1 1 d .
O20 O 0.7204(3) 0.31720(18) 0.99300(18) 0.0182(8) Uani 1 1 d .
O1W O -0.4892(3) 0.08738(19) 0.4643(2) 0.0239(9) Uani 1 1 d .
O2W O -0.4947(4) 0.0008(2) 0.3427(2) 0.0370(11) Uani 1 1 d .
O3W O -0.4808(5) 0.0791(2) 0.2239(3) 0.0492(13) Uani 1 1 d .
O4W O -0.2850(3) 0.17201(19) 0.2840(2) 0.0217(8) Uani 1 1 d .
O5W O 0.6654(4) 0.1631(2) 1.1439(2) 0.0280(9) Uani 1 1 d .
O6W O 0.8917(6) 0.0783(2) 1.2026(3) 0.0589(16) Uani 1 1 d .
O7W O 0.8892(5) 0.0014(2) 1.0795(3) 0.0464(13) Uani 1 1 d .
O8W O 0.6464(4) 0.0610(2) 1.0377(3) 0.0455(12) Uani 1 1 d .
O9W O 0.8870(4) 0.0807(2) 0.9664(2) 0.0359(11) Uani 1 1 d .
O10W O -0.0836(4) 0.1724(2) 0.8640(2) 0.0306(10) Uani 1 1 d .
O11W O 0.0770(9) 0.0670(3) 0.8081(3) 0.097(3) Uani 1 1 d .
O13W O 0.4656(3) 0.17852(19) 0.5594(2) 0.0251(9) Uani 1 1 d .
C26 C 0.3421(5) 0.1654(3) 0.8217(3) 0.0222(12) Uani 1 1 d .
O1X O 0.7458(5) -0.0235(3) 0.9096(4) 0.076(2) Uani 1 1 d .
O2X O 0.8169(5) 0.0590(3) 0.6300(3) 0.0560(15) Uani 1 1 d .
O3X O 0.6150(5) -0.0753(3) 1.0118(3) 0.0588(15) Uani 1 1 d .
O4X O 0.5591(6) 0.0418(3) 0.8218(6) 0.118(4) Uani 1 1 d .
O5X O 0.1915(7) 0.0443(4) 0.7073(4) 0.085(2) Uani 1 1 d .
O6X O 0.6334(8) 0.1203(4) 0.6641(5) 0.110(3) Uani 1 1 d .
O7X O 0.8609(6) -0.0203(4) 0.7448(4) 0.086(2) Uani 1 1 d .
O8X O 0.7422(8) 0.1125(6) 0.7787(6) 0.157(5) 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 0.0032 0.0015 '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 0.0108 0.0057 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3483 1.2194 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.1368 2.5936 '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 Ce1 O5 140.57(13) . 4_565
O11 Ce1 O1 78.53(13) . .
O5 Ce1 O1 85.40(14) 4_565 .
O11 Ce1 O3W 99.15(16) . .
O5 Ce1 O3W 71.46(16) 4_565 .
O1 Ce1 O3W 140.40(14) . .
O11 Ce1 O18 134.60(13) . 4_465
O5 Ce1 O18 69.01(13) 4_565 4_465
O1 Ce1 O18 69.87(12) . 4_465
O3W Ce1 O18 125.99(16) . 4_465
O11 Ce1 O1W 72.31(12) . .
O5 Ce1 O1W 139.43(13) 4_565 .
O1 Ce1 O1W 79.26(12) . .
O3W Ce1 O1W 138.32(14) . .
O18 Ce1 O1W 70.46(12) 4_465 .
O11 Ce1 O2W 71.21(14) . .
O5 Ce1 O2W 132.25(14) 4_565 .
O1 Ce1 O2W 142.35(14) . .
O3W Ce1 O2W 68.02(16) . .
O18 Ce1 O2W 118.02(14) 4_465 .
O1W Ce1 O2W 70.69(14) . .
O11 Ce1 O4W 71.83(12) . .
O5 Ce1 O4W 68.98(12) 4_565 .
O1 Ce1 O4W 71.82(12) . .
O3W Ce1 O4W 70.03(14) . .
O18 Ce1 O4W 124.24(12) 4_465 .
O1W Ce1 O4W 137.44(12) . .
O2W Ce1 O4W 117.18(14) . .
O11 Ce1 O17 146.35(12) . 4_465
O5 Ce1 O17 72.34(13) 4_565 4_465
O1 Ce1 O17 119.62(12) . 4_465
O3W Ce1 O17 84.02(16) . 4_465
O18 Ce1 O17 49.82(12) 4_465 4_465
O1W Ce1 O17 83.09(13) . 4_465
O2W Ce1 O17 79.28(13) . 4_465
O4W Ce1 O17 138.49(12) . 4_465
O11 Ce1 C28 150.51(14) . 4_465
O5 Ce1 C28 65.79(14) 4_565 4_465
O1 Ce1 C28 94.70(14) . 4_465
O3W Ce1 C28 103.88(17) . 4_465
O18 Ce1 C28 25.16(14) 4_465 4_465
O1W Ce1 C28 78.24(13) . 4_465
O2W Ce1 C28 100.66(15) . 4_465
O4W Ce1 C28 133.64(13) . 4_465
O17 Ce1 C28 24.96(13) 4_465 4_465
O19 Ce2 O16 84.95(13) . 4_666
O19 Ce2 O8W 80.24(15) . .
O16 Ce2 O8W 139.01(14) 4_666 .
O19 Ce2 O6W 146.71(15) . .
O16 Ce2 O6W 73.01(15) 4_666 .
O8W Ce2 O6W 100.14(19) . .
O19 Ce2 O7W 138.54(15) . .
O16 Ce2 O7W 136.22(15) 4_666 .
O8W Ce2 O7W 70.12(17) . .
O6W Ce2 O7W 69.11(16) . .
O19 Ce2 O3 71.64(12) . 4_766
O16 Ce2 O3 70.17(13) 4_666 4_766
O8W Ce2 O3 137.42(15) . 4_766
O6W Ce2 O3 120.93(18) . 4_766
O7W Ce2 O3 112.37(15) . 4_766
O19 Ce2 O9W 81.17(14) . .
O16 Ce2 O9W 136.89(13) 4_666 .
O8W Ce2 O9W 78.07(15) . .
O6W Ce2 O9W 131.80(16) . .
O7W Ce2 O9W 65.10(15) . .
O3 Ce2 O9W 66.72(13) 4_766 .
O19 Ce2 O5W 74.97(13) . .
O16 Ce2 O5W 69.39(13) 4_666 .
O8W Ce2 O5W 69.90(15) . .
O6W Ce2 O5W 74.06(17) . .
O7W Ce2 O5W 118.31(15) . .
O3 Ce2 O5W 128.91(12) 4_766 .
O9W Ce2 O5W 142.60(14) . .
O19 Ce2 O4 122.33(12) . 4_766
O16 Ce2 O4 74.51(13) 4_666 4_766
O8W Ce2 O4 144.47(14) . 4_766
O6W Ce2 O4 75.93(18) . 4_766
O7W Ce2 O4 75.72(15) . 4_766
O3 Ce2 O4 50.76(12) 4_766 4_766
O9W Ce2 O4 79.04(14) . 4_766
O5W Ce2 O4 138.24(14) . 4_766
O19 Ce2 C8 96.89(14) . 4_766
O16 Ce2 C8 68.01(14) 4_666 4_766
O8W Ce2 C8 151.45(16) . 4_766
O6W Ce2 C8 97.51(19) . 4_766
O7W Ce2 C8 95.86(16) . 4_766
O3 Ce2 C8 25.51(14) 4_766 4_766
O9W Ce2 C8 73.43(15) . 4_766
O5W Ce2 C8 137.16(14) . 4_766
O4 Ce2 C8 25.46(14) 4_766 4_766
O6 Cu1 O2 172.87(17) . 4_666
O6 Cu1 O13 89.24(16) . .
O2 Cu1 O13 89.00(16) 4_666 .
O6 Cu1 O10W 91.15(17) . .
O2 Cu1 O10W 88.93(17) 4_666 .
O13 Cu1 O10W 166.35(17) . .
O6 Cu1 O11W 85.6(2) . .
O2 Cu1 O11W 101.5(2) 4_666 .
O13 Cu1 O11W 99.7(3) . .
O10W Cu1 O11W 93.9(3) . .
O20 Cu2 O15 172.73(16) 4_565 .
O20 Cu2 O7 87.92(15) 4_565 .
O15 Cu2 O7 91.26(16) . .
O20 Cu2 O13W 89.39(16) 4_565 .
O15 Cu2 O13W 88.77(16) . .
O7 Cu2 O13W 158.83(16) . .
O20 Cu2 O9 89.62(16) 4_565 3_556
O15 Cu2 O9 97.28(16) . 3_556
O7 Cu2 O9 114.44(15) . 3_556
O13W Cu2 O9 86.52(15) . 3_556
C6 C1 C2 119.3(5) . .
C6 C1 C7 119.1(5) . .
C2 C1 C7 121.5(5) . .
C3 C2 C1 119.9(5) . .
C3 C2 C8 118.5(5) . .
C1 C2 C8 121.0(5) . .
C2 C3 C4 120.4(5) . .
C3 C4 C5 120.1(5) . .
C3 C4 C9 119.1(5) . .
C5 C4 C9 120.6(5) . .
C6 C5 C4 119.6(5) . .
C6 C5 C10 119.7(5) . .
C4 C5 C10 120.7(5) . .
C1 C6 C5 120.7(5) . .
O1 C7 O2 124.5(5) . .
O1 C7 C1 119.2(5) . .
O2 C7 C1 116.3(5) . .
O4 C8 O3 121.2(5) . .
O4 C8 C2 120.3(5) . .
O3 C8 C2 118.2(5) . .
O4 C8 Ce2 62.1(3) . 4_465
O3 C8 Ce2 59.9(3) . 4_465
C2 C8 Ce2 165.4(4) . 4_465
O5 C9 O6 124.5(5) . .
O5 C9 C4 118.6(5) . .
O6 C9 C4 116.9(5) . .
O8 C10 O7 125.4(5) . .
O8 C10 C5 119.9(5) . .
O7 C10 C5 114.6(5) . .
C13 C11 C12 119.8(5) 3_556 .
C13 C11 C14 117.4(5) 3_556 .
C12 C11 C14 122.8(5) . .
C13 C12 C11 119.0(5) . .
C13 C12 C15 119.1(5) . .
C11 C12 C15 121.9(5) . .
C11 C13 C12 121.2(5) 3_556 .
O10 C14 O9 124.5(5) . .
O10 C14 C11 115.9(5) . .
O9 C14 C11 119.5(5) . .
O12 C15 O11 123.7(5) . .
O12 C15 C12 118.8(5) . .
O11 C15 C12 117.5(5) . .
C25 C20 C21 120.4(5) . .
C25 C20 C26 116.5(5) . .
C21 C20 C26 122.8(5) . .
C22 C21 C20 118.1(5) . .
C22 C21 C27 120.1(5) . .
C20 C21 C27 121.6(5) . .
C23 C22 C21 121.7(5) . .
C22 C23 C24 119.5(5) . .
C22 C23 C28 119.8(5) . .
C24 C23 C28 120.2(5) . .
C25 C24 C23 119.4(5) . .
C25 C24 C29 117.9(5) . .
C23 C24 C29 122.4(5) . .
C20 C25 C24 120.9(5) . .
O16 C27 O15 124.3(5) . .
O16 C27 C21 118.6(5) . .
O15 C27 C21 117.0(5) . .
O17 C28 O18 121.4(5) . .
O17 C28 C23 121.5(5) . .
O18 C28 C23 117.0(5) . .
O17 C28 Ce1 63.5(3) . 4_766
O18 C28 Ce1 59.1(3) . 4_766
C23 C28 Ce1 164.7(4) . 4_766
O19 C29 O20 125.3(5) . .
O19 C29 C24 118.8(5) . .
O20 C29 C24 115.8(5) . .
C7 O1 Ce1 170.9(3) . .
C7 O2 Cu1 111.1(4) . 4_565
C8 O3 Ce2 94.6(3) . 4_465
C8 O4 Ce2 92.5(3) . 4_465
C9 O5 Ce1 163.1(4) . 4_666
C9 O6 Cu1 115.2(4) . .
C10 O7 Cu2 125.0(3) . .
C14 O9 Cu2 129.1(4) . 3_556
C15 O11 Ce1 142.4(4) . .
C26 O13 Cu1 123.7(4) . .
C27 O15 Cu2 110.7(3) . .
C27 O16 Ce2 166.8(3) . 4_565
C28 O17 Ce1 91.6(3) . 4_766
C28 O18 Ce1 95.8(3) . 4_766
C29 O19 Ce2 163.8(3) . .
C29 O20 Cu2 115.6(3) . 4_666
O14 C26 O13 125.5(5) . .
O14 C26 C20 119.3(5) . .
O13 C26 C20 115.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 O11 2.420(4) .
Ce1 O5 2.428(4) 4_565
Ce1 O1 2.471(4) .
Ce1 O3W 2.543(5) .
Ce1 O18 2.561(4) 4_465
Ce1 O1W 2.566(4) .
Ce1 O2W 2.569(4) .
Ce1 O4W 2.611(4) .
Ce1 O17 2.659(4) 4_465
Ce1 C28 2.971(5) 4_465
Ce2 O19 2.444(4) .
Ce2 O16 2.480(4) 4_666
Ce2 O8W 2.535(4) .
Ce2 O6W 2.543(5) .
Ce2 O7W 2.547(5) .
Ce2 O3 2.555(4) 4_766
Ce2 O9W 2.566(4) .
Ce2 O5W 2.583(4) .
Ce2 O4 2.603(4) 4_766
Ce2 C8 2.943(5) 4_766
Cu1 O6 1.950(4) .
Cu1 O2 1.956(4) 4_666
Cu1 O13 1.990(4) .
Cu1 O10W 2.019(4) .
Cu1 O11W 2.200(6) .
Cu2 O20 1.939(4) 4_565
Cu2 O15 1.959(4) .
Cu2 O7 1.985(4) .
Cu2 O13W 2.038(4) .
Cu2 O9 2.234(4) 3_556
C1 C6 1.392(8) .
C1 C2 1.410(8) .
C1 C7 1.499(8) .
C2 C3 1.385(8) .
C2 C8 1.499(7) .
C3 C4 1.393(8) .
C4 C5 1.399(8) .
C4 C9 1.494(8) .
C5 C6 1.393(8) .
C5 C10 1.510(7) .
C7 O1 1.247(7) .
C7 O2 1.267(7) .
C8 O4 1.266(7) .
C8 O3 1.272(7) .
C8 Ce2 2.943(5) 4_465
C9 O5 1.250(7) .
C9 O6 1.252(7) .
C10 O8 1.226(7) .
C10 O7 1.272(7) .
C11 C13 1.379(8) 3_556
C11 C12 1.400(8) .
C11 C14 1.505(7) .
C12 C13 1.386(8) .
C12 C15 1.493(8) .
C13 C11 1.379(8) 3_556
C14 O10 1.265(7) .
C14 O9 1.267(7) .
C15 O12 1.258(7) .
C15 O11 1.274(7) .
C20 C25 1.383(8) .
C20 C21 1.411(8) .
C20 C26 1.510(7) .
C21 C22 1.398(8) .
C21 C27 1.483(8) .
C22 C23 1.389(8) .
C23 C24 1.404(8) .
C23 C28 1.508(7) .
C24 C25 1.393(8) .
C24 C29 1.501(8) .
C27 O16 1.256(7) .
C27 O15 1.257(7) .
C28 O17 1.254(7) .
C28 O18 1.269(7) .
C28 Ce1 2.971(5) 4_766
C29 O19 1.255(7) .
C29 O20 1.259(6) .
O2 Cu1 1.956(4) 4_565
O3 Ce2 2.555(4) 4_465
O4 Ce2 2.603(4) 4_465
O5 Ce1 2.428(4) 4_666
O9 Cu2 2.234(4) 3_556
O13 C26 1.282(7) .
O14 C26 1.233(7) .
O16 Ce2 2.480(4) 4_565
O17 Ce1 2.659(4) 4_766
O18 Ce1 2.561(4) 4_766
O20 Cu2 1.939(4) 4_666
