#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/21/7222137.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_7222137
loop_
_publ_author_name
'Duan, Jingui'
'Zou, Changchang'
'Li, Qianqian'
'Jin, Wanqin'
_publ_section_title
;
 New luminescent porous coordination polymers with an acylamide-decorated
 linker for anion recognition and reversible I2accommodation
;
_journal_issue                   43
_journal_name_full               CrystEngComm
_journal_page_first              8226
_journal_paper_doi               10.1039/C5CE01725D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_sum            'C16 H10 Eu N O8'
_chemical_formula_weight         496.21
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-05-12 deposited with the CCDC.
2015-09-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            32
_cell_length_a                   14.5012(11)
_cell_length_b                   44.132(2)
_cell_length_c                   50.412(2)
_cell_measurement_temperature    291(2)
_cell_volume                     32262(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0812
_diffrn_reflns_av_sigmaI/netI    0.0638
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       54
_diffrn_reflns_limit_k_min       -52
_diffrn_reflns_limit_l_max       54
_diffrn_reflns_limit_l_min       -62
_diffrn_reflns_number            41956
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.574
_exptl_absorpt_correction_T_max  0.7648
_exptl_absorpt_correction_T_min  0.6495
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.817
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needlike
_exptl_crystal_F_000             7680
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_platon_squeeze_details
;
;
_refine_diff_density_max         0.846
_refine_diff_density_min         -1.888
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    multi-scan
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         7926
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0642
_refine_ls_R_factor_gt           0.0459
_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)+(0.0500P)²+1.5500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1086
_reflns_number_gt                4989
_reflns_number_total             7926
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ce01725d2.cif
_cod_data_source_block           2100625e
_cod_depositor_comments
'Adding full bibliography for 7222137--7222139.cif.'
_cod_original_sg_symbol_Hall     -F2uv2vw
_cod_original_sg_symbol_H-M      Fddd
_cod_database_code               7222137
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'
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
C1 C 0.4173(3) 0.60635(11) 0.91542(9) 0.0375(11) Uani 1 1 d .
C2 C 0.3299(3) 0.58950(10) 0.92054(9) 0.0356(10) Uani 1 1 d .
C3 C 0.2548(3) 0.59419(10) 0.90403(9) 0.0373(11) Uani 1 1 d .
H3 H 0.2588 0.6082 0.8903 0.045 Uiso 1 1 calc R
C4 C 0.1742(3) 0.57823(10) 0.90784(8) 0.0336(10) Uani 1 1 d .
C5 C 0.1680(3) 0.55774(11) 0.92869(10) 0.0414(12) Uani 1 1 d .
H5 H 0.1134 0.5472 0.9314 0.050 Uiso 1 1 calc R
C6 C 0.2424(3) 0.55290(11) 0.94545(9) 0.0384(12) Uani 1 1 d .
C7 C 0.3235(3) 0.56884(10) 0.94158(9) 0.0404(12) Uani 1 1 d .
H7 H 0.3734 0.5659 0.9529 0.048 Uiso 1 1 calc R
C8 C 0.0968(4) 0.58332(11) 0.88936(10) 0.0422(12) Uani 1 1 d .
C9 C 0.1719(4) 0.51776(11) 0.97709(10) 0.0415(12) Uani 1 1 d .
C10 C 0.1903(3) 0.49699(11) 1.00045(10) 0.0410(11) Uani 1 1 d .
C11 C 0.1239(4) 0.49336(11) 1.01994(10) 0.0453(12) Uani 1 1 d .
H11 H 0.0683 0.5038 1.0187 0.054 Uiso 1 1 calc R
C12 C 0.1396(4) 0.47412(11) 1.04150(10) 0.0437(12) Uani 1 1 d .
H12 H 0.0949 0.4717 1.0546 0.052 Uiso 1 1 calc R
C13 C 0.2227(3) 0.45864(11) 1.04319(9) 0.0408(11) Uani 1 1 d .
C14 C 0.2896(4) 0.46196(11) 1.02338(9) 0.0416(12) Uani 1 1 d .
H14 H 0.3446 0.4512 1.0244 0.050 Uiso 1 1 calc R
C15 C 0.2739(3) 0.48128(11) 1.00233(10) 0.0431(12) Uani 1 1 d .
H15 H 0.3189 0.4839 0.9894 0.052 Uiso 1 1 calc R
C16 C 0.2384(4) 0.43711(11) 1.06606(10) 0.0430(12) Uani 1 1 d .
N1 N 0.2438(3) 0.53202(10) 0.96748(8) 0.0439(10) Uani 1 1 d .
H1 H 0.2962 0.5287 0.9749 0.053 Uiso 1 1 calc R
O1 O 0.4857(2) 0.60093(8) 0.93045(6) 0.0444(8) Uani 1 1 d .
O2 O 0.4278(2) 0.62728(7) 0.89966(6) 0.0396(8) Uani 1 1 d .
O3 O 0.1314(3) 0.58651(8) 0.86746(7) 0.0482(9) Uani 1 1 d .
O4 O 0.0142(2) 0.58425(8) 0.89495(6) 0.0441(8) Uani 1 1 d .
O5 O 0.0924(3) 0.52105(7) 0.96989(7) 0.0439(8) Uani 1 1 d .
O6 O 0.2047(2) 0.44228(8) 1.08798(6) 0.0442(8) Uani 1 1 d .
O7 O 0.2877(2) 0.41634(7) 1.05803(7) 0.0449(9) Uani 1 1 d .
O1W O 0.6250 0.6250 0.96797(9) 0.0437(11) Uani 1 2 d S
H1X H 0.5729 0.6363 0.9744 0.052 Uiso 0.50 1 d PR
H1Y H 0.6771 0.6137 0.9744 0.052 Uiso 0.50 1 d PR
O2W O 0.3750 0.72532(10) 0.8750 0.0469(12) Uani 1 2 d S
H2X H 0.3235 0.7325 0.8648 0.056 Uiso 0.50 1 d PR
H2Y H 0.4265 0.7325 0.8852 0.056 Uiso 0.50 1 d PR
Eu1 Eu 0.6250 0.6250 0.919739(6) 0.03179(10) Uani 1 2 d S
Eu2 Eu 0.3750 0.671264(6) 0.8750 0.02953(9) Uani 1 2 d S
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'
N N 0.0061 0.0033 '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'
Eu Eu -0.1578 3.6682 '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 115.5(4) . .
O2 C1 C2 126.3(4) . .
O1 C1 C2 117.7(4) . .
O2 C1 Eu1 74.2(3) . .
O1 C1 Eu1 42.1(2) . .
C2 C1 Eu1 159.5(3) . .
C3 C2 C7 119.9(4) . .
C3 C2 C1 119.3(4) . .
C7 C2 C1 120.8(4) . .
C4 C3 C2 120.4(4) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 119.5(4) . .
C3 C4 C8 118.6(4) . .
C5 C4 C8 121.8(4) . .
C6 C5 C4 120.8(4) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C7 C6 C5 119.7(4) . .
C7 C6 N1 114.9(4) . .
C5 C6 N1 125.4(4) . .
C6 C7 C2 119.6(4) . .
C6 C7 H7 120.2 . .
C2 C7 H7 120.2 . .
O3 C8 O4 127.0(5) . .
O3 C8 C4 106.0(5) . .
O4 C8 C4 126.9(4) . .
O5 C9 N1 125.8(4) . .
O5 C9 C10 118.1(4) . .
N1 C9 C10 115.9(4) . .
C11 C10 C15 119.8(4) . .
C11 C10 C9 119.9(4) . .
C15 C10 C9 120.4(5) . .
C10 C11 C12 120.6(5) . .
C10 C11 H11 119.7 . .
C12 C11 H11 119.7 . .
C13 C12 C11 119.2(5) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C12 C13 C14 120.4(4) . .
C12 C13 C16 119.2(4) . .
C14 C13 C16 120.3(4) . .
C15 C14 C13 119.9(5) . .
C15 C14 H14 120.0 . .
C13 C14 H14 120.0 . .
C14 C15 C10 120.1(5) . .
C14 C15 H15 120.0 . .
C10 C15 H15 120.0 . .
O6 C16 O7 131.7(4) . .
O6 C16 C13 120.6(4) . .
O7 C16 C13 107.8(4) . .
C9 N1 C6 125.4(4) . .
C9 N1 H1 117.3 . .
C6 N1 H1 117.3 . .
C1 O1 Eu1 116.7(3) . .
C1 O2 Eu2 153.3(3) . .
C1 O2 Eu1 82.9(3) . .
Eu2 O2 Eu1 119.64(11) . .
C8 O3 Eu1 137.1(3) . 3_556
C8 O4 Eu2 139.5(3) . 14_455
C16 O6 Eu2 145.5(3) . 30_557
C16 O7 Eu1 133.9(3) . 17_667
Eu1 O1W H1X 109.6 . .
Eu1 O1W H1Y 109.6 . .
H1X O1W H1Y 140.8 . .
Eu2 O2W H2X 109.4 . .
Eu2 O2W H2Y 109.4 . .
H2X O2W H2Y 141.3 . .
O1 Eu1 O1 153.37(16) 14 .
O1 Eu1 O1W 76.69(8) 14 .
O1 Eu1 O1W 76.69(8) . .
O1 Eu1 O7 90.15(12) 14 18_667
O1 Eu1 O7 77.87(13) . 18_667
O1W Eu1 O7 63.22(8) . 18_667
O1 Eu1 O7 77.87(13) 14 17_667
O1 Eu1 O7 90.15(12) . 17_667
O1W Eu1 O7 63.22(8) . 17_667
O7 Eu1 O7 126.45(15) 18_667 17_667
O1 Eu1 O3 80.52(13) 14 16_556
O1 Eu1 O3 120.39(12) . 16_556
O1W Eu1 O3 137.78(8) . 16_556
O7 Eu1 O3 81.96(11) 18_667 16_556
O7 Eu1 O3 143.81(11) 17_667 16_556
O1 Eu1 O3 120.39(12) 14 3_556
O1 Eu1 O3 80.52(13) . 3_556
O1W Eu1 O3 137.78(8) . 3_556
O7 Eu1 O3 143.81(11) 18_667 3_556
O7 Eu1 O3 81.96(11) 17_667 3_556
O3 Eu1 O3 84.44(17) 16_556 3_556
O1 Eu1 O2 150.84(11) 14 .
O1 Eu1 O2 43.97(10) . .
O1W Eu1 O2 109.48(6) . .
O7 Eu1 O2 69.28(10) 18_667 .
O7 Eu1 O2 130.87(11) 17_667 .
O3 Eu1 O2 76.41(10) 16_556 .
O3 Eu1 O2 74.98(10) 3_556 .
O1 Eu1 O2 43.97(10) 14 14
O1 Eu1 O2 150.84(11) . 14
O1W Eu1 O2 109.48(6) . 14
O7 Eu1 O2 130.87(11) 18_667 14
O7 Eu1 O2 69.28(10) 17_667 14
O3 Eu1 O2 74.98(10) 16_556 14
O3 Eu1 O2 76.41(10) 3_556 14
O2 Eu1 O2 141.03(12) . 14
O1 Eu1 C1 21.26(11) 14 14
O1 Eu1 C1 164.57(13) . 14
O1W Eu1 C1 93.99(8) . 14
O7 Eu1 C1 109.17(12) 18_667 14
O7 Eu1 C1 74.59(13) 17_667 14
O3 Eu1 C1 74.74(13) 16_556 14
O3 Eu1 C1 99.21(12) 3_556 14
O2 Eu1 C1 151.01(11) . 14
O2 Eu1 C1 22.91(10) 14 14
O1 Eu1 C1 164.57(13) 14 .
O1 Eu1 C1 21.26(11) . .
O1W Eu1 C1 93.99(8) . .
O7 Eu1 C1 74.59(13) 18_667 .
O7 Eu1 C1 109.17(12) 17_667 .
O3 Eu1 C1 99.21(12) 16_556 .
O3 Eu1 C1 74.74(13) 3_556 .
O2 Eu1 C1 22.91(10) . .
O2 Eu1 C1 151.01(11) 14 .
C1 Eu1 C1 172.02(17) 14 .
O4 Eu2 O4 167.69(17) 16_556 14_455
O4 Eu2 O6 87.55(13) 16_556 18_667
O4 Eu2 O6 97.25(13) 14_455 18_667
O4 Eu2 O6 97.25(13) 16_556 28_565
O4 Eu2 O6 87.55(13) 14_455 28_565
O6 Eu2 O6 134.19(16) 18_667 28_565
O4 Eu2 O2W 96.16(9) 16_556 .
O4 Eu2 O2W 96.16(9) 14_455 .
O6 Eu2 O2W 67.10(8) 18_667 .
O6 Eu2 O2W 67.10(8) 28_565 .
O4 Eu2 O2 81.98(11) 16_556 .
O4 Eu2 O2 88.18(12) 14_455 .
O6 Eu2 O2 75.94(11) 18_667 .
O6 Eu2 O2 149.86(11) 28_565 .
O2W Eu2 O2 143.04(7) . .
O4 Eu2 O2 88.18(12) 16_556 3_556
O4 Eu2 O2 81.98(11) 14_455 3_556
O6 Eu2 O2 149.86(11) 18_667 3_556
O6 Eu2 O2 75.94(11) 28_565 3_556
O2W Eu2 O2 143.04(7) . 3_556
O2 Eu2 O2 73.92(15) . 3_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.228(5) .
C1 O1 1.270(5) .
C1 C2 1.492(6) .
C1 Eu1 3.129(5) .
C2 C3 1.387(6) .
C2 C7 1.402(6) .
C3 C4 1.377(6) .
C3 H3 0.9300 .
C4 C5 1.389(6) .
C4 C8 1.476(6) .
C5 C6 1.387(6) .
C5 H5 0.9300 .
C6 C7 1.385(6) .
C6 N1 1.443(6) .
C7 H7 0.9300 .
C8 O3 1.221(6) .
C8 O4 1.231(6) .
C9 O5 1.217(6) .
C9 N1 1.311(6) .
C9 C10 1.516(6) .
C10 C11 1.386(7) .
C10 C15 1.400(6) .
C11 C12 1.398(6) .
C11 H11 0.9300 .
C12 C13 1.388(7) .
C12 H12 0.9300 .
C13 C14 1.401(6) .
C13 C16 1.511(6) .
C14 C15 1.380(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 O6 1.230(6) .
C16 O7 1.230(6) .
N1 H1 0.8600 .
O1 Eu1 2.346(3) .
O2 Eu2 2.429(3) .
O2 Eu1 3.034(3) .
O3 Eu1 2.532(3) 3_556
O4 Eu2 2.269(3) 14_455
O6 Eu2 2.383(3) 30_557
O7 Eu1 2.488(3) 17_667
O1W Eu1 2.432(4) .
O1W H1X 0.9602 .
O1W H1Y 0.9602 .
O2W Eu2 2.386(4) .
O2W H2X 0.9617 .
O2W H2Y 0.9617 .
Eu1 O1 2.346(3) 14
Eu1 O7 2.488(3) 18_667
Eu1 O7 2.488(3) 17_667
Eu1 O3 2.532(3) 16_556
Eu1 O3 2.532(3) 3_556
Eu1 O2 3.034(3) 14
Eu1 C1 3.129(5) 14
Eu2 O4 2.269(3) 16_556
Eu2 O4 2.269(3) 14_455
Eu2 O6 2.383(3) 18_667
Eu2 O6 2.383(3) 28_565
Eu2 O2 2.429(3) 3_556
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_4
O2 C1 C2 C3 9.5(8) .
O1 C1 C2 C3 -178.1(5) .
Eu1 C1 C2 C3 -169.2(7) .
O2 C1 C2 C7 -171.2(5) .
O1 C1 C2 C7 1.2(7) .
Eu1 C1 C2 C7 10.0(13) .
C7 C2 C3 C4 -1.3(8) .
C1 C2 C3 C4 178.0(5) .
C2 C3 C4 C5 1.2(8) .
C2 C3 C4 C8 -178.3(5) .
C3 C4 C5 C6 -0.9(8) .
C8 C4 C5 C6 178.7(5) .
C4 C5 C6 C7 0.6(8) .
C4 C5 C6 N1 -179.4(5) .
C5 C6 C7 C2 -0.7(8) .
N1 C6 C7 C2 179.3(5) .
C3 C2 C7 C6 1.0(8) .
C1 C2 C7 C6 -178.3(5) .
C3 C4 C8 O3 37.9(6) .
C5 C4 C8 O3 -141.6(5) .
C3 C4 C8 O4 -141.9(5) .
C5 C4 C8 O4 38.6(8) .
O5 C9 C10 C11 -29.2(7) .
N1 C9 C10 C11 146.9(5) .
O5 C9 C10 C15 150.3(5) .
N1 C9 C10 C15 -33.6(7) .
C15 C10 C11 C12 0.0(8) .
C9 C10 C11 C12 179.5(5) .
C10 C11 C12 C13 0.0(8) .
C11 C12 C13 C14 -0.7(8) .
C11 C12 C13 C16 -178.1(5) .
C12 C13 C14 C15 1.5(8) .
C16 C13 C14 C15 178.8(5) .
C13 C14 C15 C10 -1.5(8) .
C11 C10 C15 C14 0.8(8) .
C9 C10 C15 C14 -178.7(5) .
C12 C13 C16 O6 -33.2(8) .
C14 C13 C16 O6 149.5(5) .
C12 C13 C16 O7 147.5(5) .
C14 C13 C16 O7 -29.8(7) .
O5 C9 N1 C6 -4.1(9) .
C10 C9 N1 C6 -179.8(5) .
C7 C6 N1 C9 170.1(5) .
C5 C6 N1 C9 -9.9(9) .
O2 C1 O1 Eu1 -11.5(6) .
C2 C1 O1 Eu1 175.4(3) .
O1 C1 O2 Eu2 -141.4(5) .
C2 C1 O2 Eu2 31.1(11) .
Eu1 C1 O2 Eu2 -149.3(7) .
O1 C1 O2 Eu1 7.9(4) .
C2 C1 O2 Eu1 -179.6(5) .
O4 C8 O3 Eu1 52.7(7) 3_556
C4 C8 O3 Eu1 -127.1(4) 3_556
O3 C8 O4 Eu2 21.5(9) 14_455
C4 C8 O4 Eu2 -158.7(4) 14_455
O7 C16 O6 Eu2 -45.1(11) 30_557
C13 C16 O6 Eu2 135.8(5) 30_557
O6 C16 O7 Eu1 -11.6(10) 17_667
C13 C16 O7 Eu1 167.6(3) 17_667
C1 O1 Eu1 O1 143.6(4) 14
C1 O1 Eu1 O1W 143.6(4) .
C1 O1 Eu1 O7 78.6(4) 18_667
C1 O1 Eu1 O7 -154.0(4) 17_667
C1 O1 Eu1 O3 5.6(4) 16_556
C1 O1 Eu1 O3 -72.2(4) 3_556
C1 O1 Eu1 O2 6.0(3) .
C1 O1 Eu1 O2 -110.1(4) 14
C1 O1 Eu1 C1 -162.4(4) 14
C1 O2 Eu1 O1 -147.3(3) 14
Eu2 O2 Eu1 O1 17.4(3) 14
C1 O2 Eu1 O1 -5.6(3) .
Eu2 O2 Eu1 O1 159.1(2) .
C1 O2 Eu1 O1W -49.7(3) .
Eu2 O2 Eu1 O1W 115.05(11) .
C1 O2 Eu1 O7 -99.5(3) 18_667
Eu2 O2 Eu1 O7 65.19(15) 18_667
C1 O2 Eu1 O7 21.3(3) 17_667
Eu2 O2 Eu1 O7 -173.97(12) 17_667
C1 O2 Eu1 O3 174.1(3) 16_556
Eu2 O2 Eu1 O3 -21.23(14) 16_556
C1 O2 Eu1 O3 86.3(3) 3_556
Eu2 O2 Eu1 O3 -109.03(15) 3_556
C1 O2 Eu1 O2 130.3(3) 14
Eu2 O2 Eu1 O2 -64.95(11) 14
C1 O2 Eu1 C1 168.1(3) 14
Eu2 O2 Eu1 C1 -27.2(3) 14
Eu2 O2 Eu1 C1 164.7(4) .
O2 C1 Eu1 O1 81.9(5) 14
O1 C1 Eu1 O1 -87.4(7) 14
C2 C1 Eu1 O1 -99.2(11) 14
O2 C1 Eu1 O1 169.3(6) .
C2 C1 Eu1 O1 -11.8(8) .
O2 C1 Eu1 O1W 133.9(3) .
O1 C1 Eu1 O1W -35.3(4) .
C2 C1 Eu1 O1W -47.1(10) .
O2 C1 Eu1 O7 73.1(3) 18_667
O1 C1 Eu1 O7 -96.1(4) 18_667
C2 C1 Eu1 O7 -107.9(10) 18_667
O2 C1 Eu1 O7 -163.1(3) 17_667
O1 C1 Eu1 O7 27.7(4) 17_667
C2 C1 Eu1 O7 15.9(10) 17_667
O2 C1 Eu1 O3 -5.8(3) 16_556
O1 C1 Eu1 O3 -175.1(4) 16_556
C2 C1 Eu1 O3 173.1(10) 16_556
O2 C1 Eu1 O3 -87.4(3) 3_556
O1 C1 Eu1 O3 103.3(4) 3_556
C2 C1 Eu1 O3 91.5(10) 3_556
O1 C1 Eu1 O2 -169.3(6) .
C2 C1 Eu1 O2 179(100) .
O2 C1 Eu1 O2 -81.4(4) 14
O1 C1 Eu1 O2 109.3(4) 14
C2 C1 Eu1 O2 97.6(10) 14
O2 C1 Eu1 C1 -46.1(3) 14
O1 C1 Eu1 C1 144.7(4) 14
C2 C1 Eu1 C1 132.9(10) 14
C1 O2 Eu2 O4 -172.2(7) 16_556
Eu1 O2 Eu2 O4 43.42(14) 16_556
C1 O2 Eu2 O4 0.4(7) 14_455
Eu1 O2 Eu2 O4 -143.99(14) 14_455
C1 O2 Eu2 O6 98.3(7) 18_667
Eu1 O2 Eu2 O6 -46.05(14) 18_667
C1 O2 Eu2 O6 -81.5(8) 28_565
Eu1 O2 Eu2 O6 134.1(2) 28_565
C1 O2 Eu2 O2W 98.2(7) .
Eu1 O2 Eu2 O2W -46.2(2) .
C1 O2 Eu2 O2 -81.8(7) 3_556
Eu1 O2 Eu2 O2 133.8(2) 3_556
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
_platon_squeeze_void_content
1 -0.004 -0.001 -0.001 21576 2962 ' '
