#------------------------------------------------------------------------------
#$Date: 2021-06-11 10:07:49 +0300 (Fri, 11 Jun 2021) $
#$Revision: 266392 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/33/1563329.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_1563329
loop_
_publ_author_name
'Qin, Junsheng'
'Du, Dongying'
'Chen, Lei'
'Sun, Xiuyun'
'Lan, Yaqian'
'Su, Zhongmin'
_publ_section_title
;
 Syntheses, structures and luminescent properties of a series of 3D
 lanthanide coordination polymers with tripodal semirigid ligand
;
_journal_issue                   2
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              373
_journal_page_last               378
_journal_paper_doi               10.1016/j.jssc.2010.11.012
_journal_volume                  184
_journal_year                    2011
_chemical_formula_moiety         'C15 H13 O10 Pr'
_chemical_formula_sum            'C15 H13 O10 Pr'
_chemical_formula_weight         494.05
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.965(3)
_cell_angle_beta                 98.131(3)
_cell_angle_gamma                110.782(2)
_cell_formula_units_Z            2
_cell_length_a                   9.3980(19)
_cell_length_b                   9.911(2)
_cell_length_c                   11.422(2)
_cell_measurement_temperature    293(2)
_cell_volume                     976.4(3)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97(Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0225
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4777
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    2.541
_exptl_absorpt_correction_T_max  0.7018
_exptl_absorpt_correction_T_min  0.6577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.15
_platon_squeeze_details          ' ?'
_refine_diff_density_max         1.848
_refine_diff_density_min         -1.370
_refine_diff_density_rms         0.216
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3345
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1102P)²+1.6040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1396
_refine_ls_wR_factor_ref         0.1448
_reflns_number_gt                2979
_reflns_number_total             3345
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2011-184-373.cif
_cod_data_source_block           Pr
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_Hall     -P1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1563329
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8234(9) 0.5895(8) 0.7635(6) 0.0290(16) Uani 1 1 d . . .
C2 C 0.8835(9) 0.6735(8) 0.8834(7) 0.0313(17) Uani 1 1 d . . .
C3 C 1.0113(11) 0.6610(10) 0.9554(7) 0.043(2) Uani 1 1 d . . .
H3 H 1.0598 0.6022 0.9260 0.051 Uiso 1 1 calc R . .
C4 C 1.0659(11) 0.7356(11) 1.0702(8) 0.048(2) Uani 1 1 d . . .
H4 H 1.1502 0.7263 1.1175 0.057 Uiso 1 1 calc R . .
C5 C 0.9955(9) 0.8222(9) 1.1130(7) 0.0317(17) Uani 1 1 d . . .
C6 C 0.8741(10) 0.8408(10) 1.0408(7) 0.0400(19) Uani 1 1 d . . .
H6 H 0.8299 0.9043 1.0686 0.048 Uiso 1 1 calc R . .
C7 C 0.8198(10) 0.7662(10) 0.9294(7) 0.0389(19) Uani 1 1 d . . .
H7 H 0.7367 0.7781 0.8827 0.047 Uiso 1 1 calc R . .
C8 C 0.9512(8) 0.9214(8) 1.2938(6) 0.0257(15) Uani 1 1 d . . .
C9 C 0.9886(8) 1.0613(8) 1.3451(6) 0.0251(15) Uani 1 1 d . . .
H9 H 1.0803 1.1339 1.3363 0.030 Uiso 1 1 calc R . .
C10 C 1.1115(8) 0.9064(7) 0.5898(6) 0.0226(14) Uani 1 1 d . . .
C11 C 1.0754(8) 0.7554(7) 0.5329(6) 0.0238(15) Uani 1 1 d . . .
C12 C 0.7514(8) 0.9832(7) 1.4224(6) 0.0238(14) Uani 1 1 d . . .
H12 H 0.6806 1.0049 1.4618 0.029 Uiso 1 1 calc R . .
C13 C 0.7216(8) 0.8425(7) 1.3759(6) 0.0225(14) Uani 1 1 d . . .
C14 C 0.8213(8) 0.8092(8) 1.3115(6) 0.0247(15) Uani 1 1 d . . .
H14 H 0.8014 0.7136 1.2809 0.030 Uiso 1 1 calc R . .
C15 C 0.4203(8) 0.2746(7) 0.6024(6) 0.0236(15) Uani 1 1 d . . .
O1 O 0.7151(6) 0.6106(6) 0.6977(5) 0.0367(13) Uani 1 1 d . . .
O2 O 0.8776(7) 0.4997(6) 0.7263(5) 0.0413(14) Uani 1 1 d . . .
O1W O 0.5087(6) 0.2805(6) 0.3500(5) 0.0399(14) Uani 1 1 d . . .
O3 O 0.9448(6) 0.6622(6) 0.5316(5) 0.0358(13) Uani 1 1 d . . .
O2W O 0.8118(7) 0.4575(7) 0.3149(5) 0.0431(14) Uani 1 1 d . . .
O4 O 0.8213(6) 0.2698(6) 0.5120(5) 0.0360(13) Uani 1 1 d . . .
O5 O 0.4147(6) 0.3941(5) 0.5744(5) 0.0302(12) Uani 1 1 d . . .
O6 O 0.5462(6) 0.2518(6) 0.6113(5) 0.0365(13) Uani 1 1 d . . .
O7 O 1.0556(6) 0.8938(6) 1.2271(5) 0.0309(12) Uani 1 1 d . . .
Pr1 Pr 0.71572(4) 0.45440(4) 0.51488(3) 0.02163(18) Uani 1 1 d . . .
O3W O 0.6137(7) 0.0223(7) 0.7018(7) 0.0538(17) 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'
O O 0.0110 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.2180 2.8210 '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 C1 O1 120.0(7) . .
O2 C1 C2 121.5(7) . .
O1 C1 C2 118.5(7) . .
O2 C1 Pr1 61.7(4) . .
O1 C1 Pr1 58.6(4) . .
C2 C1 Pr1 173.5(6) . .
C3 C2 C7 117.3(7) . .
C3 C2 C1 120.0(7) . .
C7 C2 C1 122.7(7) . .
C4 C3 C2 120.7(8) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C3 C4 C5 119.7(8) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C6 C5 C4 120.1(8) . .
C6 C5 O7 122.9(7) . .
C4 C5 O7 116.9(7) . .
C7 C6 C5 119.9(8) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C6 C7 C2 122.2(8) . .
C6 C7 H7 118.9 . .
C2 C7 H7 118.9 . .
C9 C8 C14 121.8(7) . .
C9 C8 O7 117.4(6) . .
C14 C8 O7 120.6(6) . .
C8 C9 C10 119.3(7) . 2_777
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 2_777 .
C9 C10 C12 119.5(7) 2_777 2_777
C9 C10 C11 121.0(6) 2_777 .
C12 C10 C11 119.5(6) 2_777 .
O3 C11 O4 123.7(7) . 2_766
O3 C11 C10 118.6(6) . .
O4 C11 C10 117.6(6) 2_766 .
C13 C12 C10 119.7(7) . 2_777
C13 C12 H12 120.1 . .
C10 C12 H12 120.1 2_777 .
C12 C13 C14 121.0(7) . .
C12 C13 C15 118.5(6) . 2_667
C14 C13 C15 120.5(6) . 2_667
C8 C14 C13 118.3(7) . .
C8 C14 H14 120.8 . .
C13 C14 H14 120.8 . .
O6 C15 O5 120.8(6) . .
O6 C15 C13 119.0(6) . 2_667
O5 C15 C13 120.2(6) . 2_667
C1 O1 Pr1 95.9(4) . .
C1 O2 Pr1 93.1(5) . .
C11 O3 Pr1 169.4(5) . .
C11 O4 Pr1 136.9(5) 2_766 .
C15 O5 Pr1 153.6(5) . 2_666
C15 O5 Pr1 86.7(4) . .
Pr1 O5 Pr1 112.87(18) 2_666 .
C15 O6 Pr1 103.3(4) . .
C5 O7 C8 117.0(6) . .
O3 Pr1 O4 99.79(19) . .
O3 Pr1 O5 85.27(18) . 2_666
O4 Pr1 O5 154.9(2) . 2_666
O3 Pr1 O6 148.7(2) . .
O4 Pr1 O6 73.40(18) . .
O5 Pr1 O6 114.09(17) 2_666 .
O3 Pr1 O1 75.96(19) . .
O4 Pr1 O1 125.7(2) . .
O5 Pr1 O1 79.38(18) 2_666 .
O6 Pr1 O1 83.5(2) . .
O3 Pr1 O1W 137.8(2) . .
O4 Pr1 O1W 83.88(19) . .
O5 Pr1 O1W 76.25(18) 2_666 .
O6 Pr1 O1W 72.9(2) . .
O1 Pr1 O1W 134.87(18) . .
O3 Pr1 O2W 72.0(2) . .
O4 Pr1 O2W 75.5(2) . .
O5 Pr1 O2W 82.90(19) 2_666 .
O6 Pr1 O2W 132.1(2) . .
O1 Pr1 O2W 144.4(2) . .
O1W Pr1 O2W 68.3(2) . .
O3 Pr1 O2 70.1(2) . .
O4 Pr1 O2 76.66(19) . .
O5 Pr1 O2 127.63(17) 2_666 .
O6 Pr1 O2 78.6(2) . .
O1 Pr1 O2 50.60(18) . .
O1W Pr1 O2 149.1(2) . .
O2W Pr1 O2 127.5(2) . .
O3 Pr1 O5 136.08(17) . .
O4 Pr1 O5 119.88(16) . .
O5 Pr1 O5 67.13(18) 2_666 .
O6 Pr1 O5 47.85(15) . .
O1 Pr1 O5 66.15(17) . .
O1W Pr1 O5 69.50(17) . .
O2W Pr1 O5 132.73(18) . .
O2 Pr1 O5 99.77(17) . .
O3 Pr1 C1 69.7(2) . .
O4 Pr1 C1 101.5(2) . .
O5 Pr1 C1 103.3(2) 2_666 .
O6 Pr1 C1 81.6(2) . .
O1 Pr1 C1 25.45(19) . .
O1W Pr1 C1 151.3(2) . .
O2W Pr1 C1 140.4(2) . .
O2 Pr1 C1 25.22(19) . .
O5 Pr1 C1 83.71(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.250(9) .
C1 O1 1.266(9) .
C1 C2 1.475(11) .
C1 Pr1 2.929(7) .
C2 C3 1.405(12) .
C2 C7 1.375(11) .
C3 C4 1.391(12) .
C3 H3 0.9300 .
C4 C5 1.361(12) .
C4 H4 0.9300 .
C5 C6 1.385(11) .
C5 O7 1.378(9) .
C6 C7 1.359(12) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.368(10) .
C8 C14 1.381(10) .
C8 O7 1.411(8) .
C9 C10 1.386(10) 2_777
C9 H9 0.9300 .
C10 C9 1.386(10) 2_777
C10 C12 1.396(10) 2_777
C10 C11 1.490(9) .
C11 O3 1.244(9) .
C11 O4 1.250(9) 2_766
C12 C13 1.372(10) .
C12 C10 1.396(10) 2_777
C12 H12 0.9300 .
C13 C14 1.381(10) .
C13 C15 1.490(9) 2_667
C14 H14 0.9300 .
C15 O6 1.273(9) .
C15 O5 1.265(8) .
C15 C13 1.490(9) 2_667
O1 Pr1 2.514(5) .
O2 Pr1 2.583(6) .
O1W Pr1 2.537(5) .
O3 Pr1 2.366(5) .
O2W Pr1 2.571(6) .
O4 C11 1.250(9) 2_766
O4 Pr1 2.371(5) .
O5 Pr1 2.441(5) 2_666
O5 Pr1 2.868(5) .
O6 Pr1 2.513(5) .
Pr1 O5 2.441(5) 2_666
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
O2 C1 C2 C3 4.4(12) . . . .
O1 C1 C2 C3 -175.2(7) . . . .
Pr1 C1 C2 C3 -114(5) . . . .
O2 C1 C2 C7 -175.8(8) . . . .
O1 C1 C2 C7 4.6(12) . . . .
Pr1 C1 C2 C7 66(5) . . . .
C7 C2 C3 C4 2.4(14) . . . .
C1 C2 C3 C4 -177.7(8) . . . .
C2 C3 C4 C5 -0.3(15) . . . .
C3 C4 C5 C6 -2.7(14) . . . .
C3 C4 C5 O7 -179.7(8) . . . .
C4 C5 C6 C7 3.7(14) . . . .
O7 C5 C6 C7 -179.6(8) . . . .
C5 C6 C7 C2 -1.5(14) . . . .
C3 C2 C7 C6 -1.5(13) . . . .
C1 C2 C7 C6 178.7(8) . . . .
C14 C8 C9 C10 -4.4(11) . . . 2_777
O7 C8 C9 C10 179.2(6) . . . 2_777
C9 C10 C11 O3 9.2(10) 2_777 . . .
C12 C10 C11 O3 -171.0(7) 2_777 . . .
C9 C10 C11 O4 -171.5(7) 2_777 . . 2_766
C12 C10 C11 O4 8.3(10) 2_777 . . 2_766
C10 C12 C13 C14 -3.4(11) 2_777 . . .
C10 C12 C13 C15 175.8(6) 2_777 . . 2_667
C9 C8 C14 C13 4.8(11) . . . .
O7 C8 C14 C13 -179.0(6) . . . .
C12 C13 C14 C8 -0.8(11) . . . .
C15 C13 C14 C8 -180.0(7) 2_667 . . .
O2 C1 O1 Pr1 -6.3(8) . . . .
C2 C1 O1 Pr1 173.3(6) . . . .
O1 C1 O2 Pr1 6.1(8) . . . .
C2 C1 O2 Pr1 -173.5(6) . . . .
O4 C11 O3 Pr1 8(3) 2_766 . . .
C10 C11 O3 Pr1 -173(2) . . . .
O6 C15 O5 Pr1 150.8(8) . . . 2_666
C13 C15 O5 Pr1 -28.5(14) 2_667 . . 2_666
O6 C15 O5 Pr1 11.4(7) . . . .
C13 C15 O5 Pr1 -167.8(6) 2_667 . . .
O5 C15 O6 Pr1 -13.4(8) . . . .
C13 C15 O6 Pr1 165.8(5) 2_667 . . .
C6 C5 O7 C8 34.0(11) . . . .
C4 C5 O7 C8 -149.2(8) . . . .
C9 C8 O7 C5 -128.1(7) . . . .
C14 C8 O7 C5 55.5(10) . . . .
C11 O3 Pr1 O4 21(3) . . . .
C11 O3 Pr1 O5 -134(3) . . . 2_666
C11 O3 Pr1 O6 95(3) . . . .
C11 O3 Pr1 O1 146(3) . . . .
C11 O3 Pr1 O1W -71(3) . . . .
C11 O3 Pr1 O2W -50(3) . . . .
C11 O3 Pr1 O2 93(3) . . . .
C11 O3 Pr1 O5 176(3) . . . .
C11 O3 Pr1 C1 120(3) . . . .
C11 O4 Pr1 O3 -39.6(7) 2_766 . . .
C11 O4 Pr1 O5 60.2(9) 2_766 . . 2_666
C11 O4 Pr1 O6 171.8(8) 2_766 . . .
C11 O4 Pr1 O1 -119.3(7) 2_766 . . .
C11 O4 Pr1 O1W 97.8(7) 2_766 . . .
C11 O4 Pr1 O2W 28.7(7) 2_766 . . .
C11 O4 Pr1 O2 -106.3(7) 2_766 . . .
C11 O4 Pr1 O5 160.0(7) 2_766 . . .
C11 O4 Pr1 C1 -110.7(7) 2_766 . . .
C15 O6 Pr1 O3 119.2(5) . . . .
C15 O6 Pr1 O4 -159.3(5) . . . .
C15 O6 Pr1 O5 -5.0(5) . . . 2_666
C15 O6 Pr1 O1 70.3(5) . . . .
C15 O6 Pr1 O1W -70.7(5) . . . .
C15 O6 Pr1 O2W -107.8(5) . . . .
C15 O6 Pr1 O2 121.4(5) . . . .
C15 O6 Pr1 O5 6.8(4) . . . .
C15 O6 Pr1 C1 95.9(5) . . . .
C1 O1 Pr1 O3 -72.2(5) . . . .
C1 O1 Pr1 O4 19.9(5) . . . .
C1 O1 Pr1 O5 -159.9(5) . . . 2_666
C1 O1 Pr1 O6 84.0(5) . . . .
C1 O1 Pr1 O1W 142.0(4) . . . .
C1 O1 Pr1 O2W -98.4(5) . . . .
C1 O1 Pr1 O2 3.4(4) . . . .
C1 O1 Pr1 O5 130.5(5) . . . .
C1 O2 Pr1 O3 84.4(5) . . . .
C1 O2 Pr1 O4 -169.8(5) . . . .
C1 O2 Pr1 O5 17.4(6) . . . 2_666
C1 O2 Pr1 O6 -94.4(5) . . . .
C1 O2 Pr1 O1 -3.5(4) . . . .
C1 O2 Pr1 O1W -117.4(5) . . . .
C1 O2 Pr1 O2W 130.6(5) . . . .
C1 O2 Pr1 O5 -51.2(5) . . . .
C15 O5 Pr1 O3 -142.9(4) . . . .
Pr1 O5 Pr1 O3 55.5(3) 2_666 . . .
C15 O5 Pr1 O4 8.7(5) . . . .
Pr1 O5 Pr1 O4 -153.0(2) 2_666 . . .
C15 O5 Pr1 O5 161.7(5) . . . 2_666
Pr1 O5 Pr1 O5 0.0 2_666 . . 2_666
C15 O5 Pr1 O6 -6.7(4) . . . .
Pr1 O5 Pr1 O6 -168.3(3) 2_666 . . .
C15 O5 Pr1 O1 -110.2(4) . . . .
Pr1 O5 Pr1 O1 88.2(2) 2_666 . . .
C15 O5 Pr1 O1W 78.4(4) . . . .
Pr1 O5 Pr1 O1W -83.2(2) 2_666 . . .
C15 O5 Pr1 O2W 106.6(4) . . . .
Pr1 O5 Pr1 O2W -55.1(3) 2_666 . . .
C15 O5 Pr1 O2 -71.5(4) . . . .
Pr1 O5 Pr1 O2 126.9(2) 2_666 . . .
C15 O5 Pr1 C1 -91.0(4) . . . .
Pr1 O5 Pr1 C1 107.3(2) 2_666 . . .
O2 C1 Pr1 O3 -86.2(5) . . . .
O1 C1 Pr1 O3 100.1(5) . . . .
C2 C1 Pr1 O3 35(5) . . . .
O2 C1 Pr1 O4 10.1(5) . . . .
O1 C1 Pr1 O4 -163.6(5) . . . .
C2 C1 Pr1 O4 131(5) . . . .
O2 C1 Pr1 O5 -165.9(5) . . . 2_666
O1 C1 Pr1 O5 20.3(5) . . . 2_666
C2 C1 Pr1 O5 -45(5) . . . 2_666
O2 C1 Pr1 O6 81.2(5) . . . .
O1 C1 Pr1 O6 -92.6(5) . . . .
C2 C1 Pr1 O6 -158(5) . . . .
O2 C1 Pr1 O1 173.8(8) . . . .
C2 C1 Pr1 O1 -65(5) . . . .
O2 C1 Pr1 O1W 108.5(6) . . . .
O1 C1 Pr1 O1W -65.3(7) . . . .
C2 C1 Pr1 O1W -130(5) . . . .
O2 C1 Pr1 O2W -71.0(6) . . . .
O1 C1 Pr1 O2W 115.3(5) . . . .
C2 C1 Pr1 O2W 50(5) . . . .
O1 C1 Pr1 O2 -173.8(8) . . . .
C2 C1 Pr1 O2 121(5) . . . .
O2 C1 Pr1 O5 129.4(5) . . . .
O1 C1 Pr1 O5 -44.4(5) . . . .
C2 C1 Pr1 O5 -109(5) . . . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 0.931 1.000 228.7 48.8
