#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/72/7207204.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_7207204
loop_
_publ_author_name
'Fabelo, Oscar'
'Cañadillas-Delgado, Laura'
'Pasán, Jorge'
'Díaz-Gallifa, Pau'
'Labrador, Ana'
'Ruiz-Pérez, Catalina'
_publ_section_title
;
 Dryness sensitive porous 3d--4f metal--organic framework with unusual
 dynamic behaviour
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              765
_journal_paper_doi               10.1039/c1ce06210g
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C25 H45 Cu O40 Pr2'
_chemical_formula_weight         1394.51
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 99.59(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.920(2)
_cell_length_b                   20.369(4)
_cell_length_c                   19.792(4)
_cell_measurement_temperature    293(2)
_cell_volume                     4340.8(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      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9.6
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.73880
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0537
_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            36832
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         1.50
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF-CRG BM16'
_exptl_absorpt_coefficient_mu    3.633
_exptl_absorpt_correction_T_max  0.8525
_exptl_absorpt_correction_T_min  0.7340
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            light_blue
_exptl_crystal_density_diffrn    2.134
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2764
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         4.775
_refine_diff_density_min         -1.225
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     621
_refine_ls_number_reflns         9522
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0453
_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)+(0.0773P)²+6.8835P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1302
_refine_ls_wR_factor_ref         0.1327
_reflns_number_gt                8815
_reflns_number_total             9522
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce06210g.txt
_cod_data_source_block           1b
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C25 H45 Cu1 O40 Pr2'
_cod_database_code               7207204
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
Pr1 Pr -0.462756(17) 0.127530(9) 0.345159(10) 0.02606(9) Uani 1 1 d .
Pr2 Pr 0.839379(19) 0.126351(9) 1.081239(10) 0.02905(9) Uani 1 1 d .
Cu1 Cu 0.07855(4) 0.17338(2) 0.83025(2) 0.02835(12) Uani 1 1 d .
Cu2 Cu 0.29507(4) 0.17310(2) 0.58911(2) 0.02753(12) Uani 1 1 d .
C1 C -0.2559(3) 0.26067(19) 0.51998(17) 0.0291(7) Uani 1 1 d .
C2 C -0.2879(3) 0.29665(18) 0.57495(18) 0.0296(7) Uani 1 1 d .
C3 C -0.2139(3) 0.29288(19) 0.63881(18) 0.0297(7) Uani 1 1 d .
H3 H -0.2324 0.3185 0.6746 0.036 Uiso 1 1 calc R
C4 C -0.1118(3) 0.25086(19) 0.64974(16) 0.0289(7) Uani 1 1 d .
C5 C -0.0798(3) 0.21468(19) 0.59537(18) 0.0297(7) Uani 1 1 d .
C6 C -0.1524(3) 0.2202(2) 0.53054(18) 0.0323(7) Uani 1 1 d .
H6 H -0.1312 0.1964 0.4941 0.039 Uiso 1 1 calc R
C7 C -0.3266(3) 0.26787(18) 0.44879(18) 0.0291(7) Uani 1 1 d .
C8 C -0.4104(3) 0.33130(19) 0.56951(18) 0.0306(7) Uani 1 1 d .
C9 C -0.0445(3) 0.2414(2) 0.72115(17) 0.0296(7) Uani 1 1 d .
C10 C 0.0344(3) 0.17169(19) 0.60493(18) 0.0304(7) Uani 1 1 d .
C11 C -0.1270(3) -0.01263(18) 0.48738(19) 0.0310(7) Uani 1 1 d .
C12 C -0.0773(3) 0.03424(19) 0.44890(19) 0.0324(7) Uani 1 1 d .
C13 C 0.0494(3) 0.04653(19) 0.46142(19) 0.0329(7) Uani 1 1 d .
H13 H 0.0828 0.0777 0.4353 0.039 Uiso 1 1 calc R
C14 C -0.2622(3) -0.03017(18) 0.47661(19) 0.0327(7) Uani 1 1 d .
C15 C -0.1576(4) 0.0747(2) 0.3958(2) 0.0369(8) Uani 1 1 d .
C20 C 0.4558(3) 0.20737(19) 0.82613(17) 0.0291(7) Uani 1 1 d .
C21 C 0.4855(3) 0.24385(19) 0.77114(17) 0.0287(7) Uani 1 1 d .
C22 C 0.5879(3) 0.2860(2) 0.78210(18) 0.0316(7) Uani 1 1 d .
H22 H 0.6064 0.3114 0.7461 0.038 Uiso 1 1 calc R
C23 C 0.6626(3) 0.29044(19) 0.84591(18) 0.0293(7) Uani 1 1 d .
C24 C 0.6329(3) 0.25304(19) 0.90045(17) 0.0282(7) Uani 1 1 d .
C25 C 0.5306(3) 0.21225(19) 0.89026(18) 0.0306(7) Uani 1 1 d .
H25 H 0.5113 0.1877 0.9267 0.037 Uiso 1 1 calc R
C27 C 0.4165(3) 0.23419(19) 0.70004(18) 0.0297(7) Uani 1 1 d .
C28 C 0.7835(3) 0.32807(19) 0.85324(19) 0.0312(7) Uani 1 1 d .
C29 C 0.7018(3) 0.26004(19) 0.97244(17) 0.0284(7) Uani 1 1 d .
O1 O -0.3607(3) 0.21790(15) 0.41440(14) 0.0358(6) Uani 1 1 d .
O2 O -0.3430(3) 0.32583(14) 0.42641(13) 0.0357(6) Uani 1 1 d .
O3 O -0.5032(2) 0.30586(14) 0.53162(13) 0.0326(5) Uani 1 1 d .
O4 O -0.4211(3) 0.38131(15) 0.60519(17) 0.0392(7) Uani 1 1 d .
O5 O -0.0380(3) 0.28839(16) 0.76223(14) 0.0402(6) Uani 1 1 d .
O6 O -0.0019(3) 0.18529(15) 0.73615(13) 0.0371(6) Uani 1 1 d .
O7 O 0.1362(2) 0.20441(14) 0.61331(14) 0.0344(6) Uani 1 1 d .
O8 O 0.0245(3) 0.11220(16) 0.60178(18) 0.0455(7) Uani 1 1 d .
O9 O -0.3083(3) -0.06429(14) 0.42520(15) 0.0383(6) Uani 1 1 d .
O10 O -0.3236(3) -0.01061(16) 0.52169(15) 0.0419(6) Uani 1 1 d .
O11 O -0.2738(2) 0.07505(15) 0.39640(15) 0.0377(6) Uani 1 1 d .
O12 O -0.1070(3) 0.1073(2) 0.3543(2) 0.0619(10) Uani 1 1 d .
O13 O 0.2392(2) 0.19737(14) 0.80368(14) 0.0336(5) Uani 1 1 d .
O14 O 0.3486(3) 0.10862(16) 0.84093(19) 0.0481(8) Uani 1 1 d .
O15 O 0.3746(3) 0.17749(14) 0.68504(13) 0.0345(6) Uani 1 1 d .
O16 O 0.4076(3) 0.28115(15) 0.65864(14) 0.0384(6) Uani 1 1 d .
O17 O 0.7922(3) 0.38029(14) 0.82240(18) 0.0405(7) Uani 1 1 d .
O18 O 0.8772(2) 0.30050(14) 0.88895(14) 0.0331(5) Uani 1 1 d .
O19 O 0.7293(3) 0.20909(14) 1.00728(14) 0.0361(6) Uani 1 1 d .
O20 O 0.7218(3) 0.31769(13) 0.99350(13) 0.0331(5) Uani 1 1 d .
O1W O -0.4876(3) 0.08899(14) 0.46484(14) 0.0357(6) Uani 1 1 d .
O2W O -0.5009(4) 0.00282(16) 0.34465(18) 0.0541(8) Uani 1 1 d .
O3W O -0.4842(5) 0.0785(2) 0.2270(2) 0.0723(12) Uani 1 1 d .
O4W O -0.2869(3) 0.17131(14) 0.28436(14) 0.0355(6) Uani 1 1 d .
O5W O 0.6624(3) 0.16429(16) 1.14216(16) 0.0430(7) Uani 1 1 d .
O6W O 0.8834(5) 0.07940(19) 1.20146(19) 0.0693(12) Uani 1 1 d .
O7W O 0.8863(4) 0.00413(17) 1.07865(18) 0.0555(9) Uani 1 1 d .
O8W O 0.6452(3) 0.0622(2) 1.0382(2) 0.0681(11) Uani 1 1 d .
O9W O 0.8807(4) 0.08321(17) 0.96671(17) 0.0550(9) Uani 1 1 d .
O10W O -0.0898(3) 0.17247(15) 0.86130(15) 0.0408(6) Uani 1 1 d .
O11W O 0.0702(5) 0.06607(19) 0.8088(2) 0.0811(14) Uani 1 1 d .
O13W O 0.4666(3) 0.17776(14) 0.56217(15) 0.0370(6) Uani 1 1 d .
C26 C 0.3401(4) 0.16653(19) 0.82229(19) 0.0318(7) Uani 1 1 d .
O1X O 0.7484(5) -0.0228(2) 0.9071(3) 0.0918(16) Uani 1 1 d .
O2X O 0.8093(5) 0.0610(2) 0.6317(2) 0.0792(12) Uani 1 1 d .
O3X O 0.6146(4) -0.0760(2) 1.0108(3) 0.0815(13) Uani 1 1 d .
O4X O 0.5596(5) 0.0440(3) 0.8171(4) 0.113(2) Uani 1 1 d .
O5X O 0.1914(5) 0.0443(3) 0.7074(2) 0.0946(18) Uani 1 1 d .
O6X O 0.6504(18) 0.1251(8) 0.6789(15) 0.384(15) Uani 1 1 d .
O7X O 0.8632(6) -0.0211(3) 0.7458(3) 0.114(2) Uani 1 1 d .
O8X O 0.7318(10) 0.1215(7) 0.7669(8) 0.267(11) 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'
Pr Pr -0.2180 2.8214 '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'
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 Pr1 O5 140.80(10) . 4_565
O11 Pr1 O1 79.57(10) . .
O5 Pr1 O1 85.36(11) 4_565 .
O11 Pr1 O3W 99.01(14) . .
O5 Pr1 O3W 71.45(13) 4_565 .
O1 Pr1 O3W 141.34(12) . .
O11 Pr1 O18 134.93(10) . 4_465
O5 Pr1 O18 69.38(10) 4_565 4_465
O1 Pr1 O18 69.53(9) . 4_465
O3W Pr1 O18 125.64(14) . 4_465
O11 Pr1 O1W 71.74(10) . .
O5 Pr1 O1W 140.42(10) 4_565 .
O1 Pr1 O1W 79.66(9) . .
O3W Pr1 O1W 137.09(12) . .
O18 Pr1 O1W 71.07(9) 4_465 .
O11 Pr1 O2W 71.84(11) . .
O5 Pr1 O2W 131.27(11) 4_565 .
O1 Pr1 O2W 143.33(10) . .
O3W Pr1 O2W 67.37(13) . .
O18 Pr1 O2W 116.78(11) 4_465 .
O1W Pr1 O2W 70.00(11) . .
O11 Pr1 O4W 72.36(9) . .
O5 Pr1 O4W 68.62(10) 4_565 .
O1 Pr1 O4W 72.40(9) . .
O3W Pr1 O4W 70.49(12) . .
O18 Pr1 O4W 124.43(9) 4_465 .
O1W Pr1 O4W 137.64(9) . .
O2W Pr1 O4W 118.04(11) . .
O11 Pr1 O17 145.27(10) . 4_465
O5 Pr1 O17 72.97(11) 4_565 4_465
O1 Pr1 O17 119.60(9) . 4_465
O3W Pr1 O17 83.28(14) . 4_465
O18 Pr1 O17 50.11(9) 4_465 4_465
O1W Pr1 O17 83.03(10) . 4_465
O2W Pr1 O17 77.37(11) . 4_465
O4W Pr1 O17 138.58(10) . 4_465
O11 Pr1 C28 150.07(10) . 4_465
O5 Pr1 C28 66.60(10) 4_565 4_465
O1 Pr1 C28 94.77(10) . 4_465
O3W Pr1 C28 103.28(14) . 4_465
O18 Pr1 C28 25.50(10) 4_465 4_465
O1W Pr1 C28 78.33(10) . 4_465
O2W Pr1 C28 98.65(12) . 4_465
O4W Pr1 C28 134.20(10) . 4_465
O17 Pr1 C28 24.86(10) 4_465 4_465
O19 Pr2 O16 84.94(10) . 4_666
O19 Pr2 O8W 81.42(13) . .
O16 Pr2 O8W 139.30(12) 4_666 .
O19 Pr2 O3 71.69(9) . 4_766
O16 Pr2 O3 70.67(9) 4_666 4_766
O8W Pr2 O3 137.89(13) . 4_766
O19 Pr2 O6W 145.99(12) . .
O16 Pr2 O6W 73.41(12) 4_666 .
O8W Pr2 O6W 98.01(16) . .
O3 Pr2 O6W 122.39(14) 4_766 .
O19 Pr2 O9W 81.10(11) . .
O16 Pr2 O9W 137.64(11) 4_666 .
O8W Pr2 O9W 77.49(14) . .
O3 Pr2 O9W 66.98(10) 4_766 .
O6W Pr2 O9W 132.29(13) . .
O19 Pr2 O7W 138.73(11) . .
O16 Pr2 O7W 136.04(11) 4_666 .
O8W Pr2 O7W 69.28(13) . .
O3 Pr2 O7W 111.99(11) 4_766 .
O6W Pr2 O7W 69.05(12) . .
O9W Pr2 O7W 64.99(11) . .
O19 Pr2 O5W 74.73(10) . .
O16 Pr2 O5W 69.54(10) 4_666 .
O8W Pr2 O5W 69.90(12) . .
O3 Pr2 O5W 129.30(10) 4_766 .
O6W Pr2 O5W 73.26(13) . .
O9W Pr2 O5W 141.66(12) . .
O7W Pr2 O5W 118.35(12) . .
O19 Pr2 O4 122.64(10) . 4_766
O16 Pr2 O4 74.94(10) 4_666 4_766
O8W Pr2 O4 143.25(12) . 4_766
O3 Pr2 O4 51.02(9) 4_766 4_766
O6W Pr2 O4 77.12(14) . 4_766
O9W Pr2 O4 79.51(12) . 4_766
O7W Pr2 O4 75.14(12) . 4_766
O5W Pr2 O4 138.75(11) . 4_766
O19 Pr2 C8 97.12(11) . 4_766
O16 Pr2 C8 68.43(10) 4_666 4_766
O8W Pr2 C8 151.22(12) . 4_766
O3 Pr2 C8 25.71(10) 4_766 4_766
O6W Pr2 C8 98.79(14) . 4_766
O9W Pr2 C8 73.91(11) . 4_766
O7W Pr2 C8 95.37(12) . 4_766
O5W Pr2 C8 137.72(10) . 4_766
O4 Pr2 C8 25.54(10) 4_766 4_766
O20 Cu2 O15 171.61(12) 4_565 .
O20 Cu2 O7 88.22(12) 4_565 .
O15 Cu2 O7 90.92(12) . .
O20 Cu2 O13W 89.32(12) 4_565 .
O15 Cu2 O13W 88.44(12) . .
O7 Cu2 O13W 158.54(12) . .
O20 Cu2 O9 89.84(11) 4_565 3_556
O15 Cu2 O9 98.07(11) . 3_556
O7 Cu2 O9 115.24(11) . 3_556
O13W Cu2 O9 86.06(11) . 3_556
O6 Cu1 O2 172.25(13) . 4_666
O6 Cu1 O13 89.62(12) . .
O2 Cu1 O13 89.57(12) 4_666 .
O6 Cu1 O10W 90.22(13) . .
O2 Cu1 O10W 88.72(13) 4_666 .
O13 Cu1 O10W 166.10(12) . .
O6 Cu1 O11W 86.67(14) . .
O2 Cu1 O11W 101.04(14) 4_666 .
O13 Cu1 O11W 101.66(16) . .
O10W Cu1 O11W 92.21(17) . .
C6 C1 C2 119.7(3) . .
C6 C1 C7 118.7(3) . .
C2 C1 C7 121.5(3) . .
C3 C2 C1 119.8(3) . .
C3 C2 C8 118.0(3) . .
C1 C2 C8 121.6(3) . .
C2 C3 C4 120.4(3) . .
C3 C4 C5 120.1(3) . .
C3 C4 C9 118.7(3) . .
C5 C4 C9 121.0(3) . .
C6 C5 C4 119.3(3) . .
C6 C5 C10 119.5(3) . .
C4 C5 C10 121.2(3) . .
C1 C6 C5 120.7(3) . .
O1 C7 O2 124.0(3) . .
O1 C7 C1 119.6(3) . .
O2 C7 C1 116.3(3) . .
O4 C8 O3 121.7(3) . .
O4 C8 C2 120.4(3) . .
O3 C8 C2 117.7(3) . .
O4 C8 Pr2 62.5(2) . 4_465
O3 C8 Pr2 59.99(19) . 4_465
C2 C8 Pr2 166.2(2) . 4_465
O5 C9 O6 124.5(3) . .
O5 C9 C4 118.9(4) . .
O6 C9 C4 116.6(3) . .
O8 C10 O7 126.2(4) . .
O8 C10 C5 120.5(3) . .
O7 C10 C5 113.2(3) . .
C12 C11 C13 119.7(3) . 3_556
C12 C11 C14 123.5(3) . .
C13 C11 C14 116.8(3) 3_556 .
C13 C12 C11 119.7(3) . .
C13 C12 C15 118.4(3) . .
C11 C12 C15 121.8(3) . .
C12 C13 C11 120.6(3) . 3_556
O9 C14 O10 123.5(3) . .
O9 C14 C11 119.7(3) . .
O10 C14 C11 116.7(3) . .
O12 C15 O11 123.6(4) . .
O12 C15 C12 118.7(3) . .
O11 C15 C12 117.7(3) . .
C25 C20 C21 119.6(3) . .
C25 C20 C26 116.5(3) . .
C21 C20 C26 123.8(3) . .
C22 C21 C20 119.2(3) . .
C22 C21 C27 119.5(3) . .
C20 C21 C27 121.1(3) . .
C23 C22 C21 121.0(3) . .
C22 C23 C24 119.2(3) . .
C22 C23 C28 119.5(3) . .
C24 C23 C28 120.8(3) . .
C25 C24 C23 120.0(3) . .
C25 C24 C29 117.5(3) . .
C23 C24 C29 122.3(3) . .
C24 C25 C20 120.9(3) . .
O16 C27 O15 124.1(3) . .
O16 C27 C21 119.2(3) . .
O15 C27 C21 116.7(3) . .
O17 C28 O18 122.2(3) . .
O17 C28 C23 121.7(3) . .
O18 C28 C23 115.9(3) . .
O17 C28 Pr1 63.8(2) . 4_766
O18 C28 Pr1 59.30(18) . 4_766
C23 C28 Pr1 164.8(3) . 4_766
O20 C29 O19 125.5(3) . .
O20 C29 C24 115.9(3) . .
O19 C29 C24 118.6(3) . .
C7 O1 Pr1 170.4(3) . .
C7 O2 Cu1 111.3(2) . 4_565
C8 O3 Pr2 94.3(2) . 4_465
C8 O4 Pr2 91.9(2) . 4_465
C9 O5 Pr1 163.6(3) . 4_666
C9 O6 Cu1 115.7(2) . .
C10 O7 Cu2 125.2(2) . .
C14 O9 Cu2 128.2(2) . 3_556
C15 O11 Pr1 142.2(3) . .
C26 O13 Cu1 124.6(2) . .
C27 O15 Cu2 110.9(2) . .
C27 O16 Pr2 166.6(3) . 4_565
C28 O17 Pr1 91.3(2) . 4_766
C28 O18 Pr1 95.2(2) . 4_766
C29 O19 Pr2 163.5(3) . .
C29 O20 Cu2 115.9(2) . 4_666
O14 C26 O13 125.3(4) . .
O14 C26 C20 119.5(3) . .
O13 C26 C20 115.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O11 2.394(3) .
Pr1 O5 2.419(3) 4_565
Pr1 O1 2.449(3) .
Pr1 O3W 2.518(4) .
Pr1 O18 2.542(3) 4_465
Pr1 O1W 2.552(3) .
Pr1 O2W 2.574(3) .
Pr1 O4W 2.589(3) .
Pr1 O17 2.643(3) 4_465
Pr1 C28 2.944(4) 4_465
Pr2 O19 2.417(3) .
Pr2 O16 2.464(3) 4_666
Pr2 O8W 2.515(4) .
Pr2 O3 2.528(3) 4_766
Pr2 O6W 2.535(4) .
Pr2 O9W 2.541(3) .
Pr2 O7W 2.544(3) .
Pr2 O5W 2.562(3) .
Pr2 O4 2.585(3) 4_766
Pr2 C8 2.911(4) 4_766
Cu1 O6 1.937(3) .
Cu1 O2 1.953(3) 4_666
Cu1 O13 1.975(3) .
Cu1 O10W 2.033(3) .
Cu1 O11W 2.226(4) .
Cu2 O20 1.937(3) 4_565
Cu2 O15 1.954(3) .
Cu2 O7 1.981(3) .
Cu2 O13W 2.033(3) .
Cu2 O9 2.242(3) 3_556
C1 C6 1.387(5) .
C1 C2 1.403(5) .
C1 C7 1.497(5) .
C2 C3 1.384(5) .
C2 C8 1.501(5) .
C3 C4 1.393(5) .
C4 C5 1.396(5) .
C4 C9 1.493(5) .
C5 C6 1.396(5) .
C5 C10 1.509(5) .
C7 O1 1.246(5) .
C7 O2 1.263(5) .
C8 O4 1.256(5) .
C8 O3 1.266(5) .
C8 Pr2 2.911(4) 4_465
C9 O5 1.250(5) .
C9 O6 1.252(5) .
C10 O8 1.217(5) .
C10 O7 1.283(5) .
C11 C12 1.387(5) .
C11 C13 1.391(5) 3_556
C11 C14 1.499(5) .
C12 C13 1.387(5) .
C12 C15 1.499(5) .
C13 C11 1.391(5) 3_556
C14 O9 1.266(5) .
C14 O10 1.266(5) .
C15 O12 1.254(5) .
C15 O11 1.271(5) .
C20 C25 1.394(5) .
C20 C21 1.400(5) .
C20 C26 1.503(5) .
C21 C22 1.398(5) .
C21 C27 1.494(5) .
C22 C23 1.387(5) .
C23 C24 1.403(5) .
C23 C28 1.513(5) .
C24 C25 1.379(5) .
C24 C29 1.503(5) .
C27 O16 1.253(5) .
C27 O15 1.259(5) .
C28 O17 1.238(5) .
C28 O18 1.273(5) .
C28 Pr1 2.944(4) 4_766
C29 O20 1.253(5) .
C29 O19 1.254(5) .
O2 Cu1 1.953(3) 4_565
O3 Pr2 2.528(3) 4_465
O4 Pr2 2.585(3) 4_465
O5 Pr1 2.419(3) 4_666
O9 Cu2 2.242(3) 3_556
O13 C26 1.269(5) .
O14 C26 1.235(5) .
O16 Pr2 2.464(3) 4_565
O17 Pr1 2.643(3) 4_766
O18 Pr1 2.542(3) 4_766
O20 Cu2 1.937(3) 4_666
