#------------------------------------------------------------------------------
#$Date: 2017-07-11 15:10:40 +0300 (Tue, 11 Jul 2017) $
#$Revision: 198633 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/34/7033406.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_7033406
loop_
_publ_author_name
'Wei, Yongqin'
'Sa, Rongjian'
'Li, Qiaohong'
'Wu, Kechen'
_publ_section_title
;
 Highly stable and sensitive LnMOF ratiometric thermometers constructed
 with mixed ligands.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3067
_journal_page_last               3074
_journal_paper_doi               10.1039/c4dt03421j
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C22 H13 Eu N3 O8 S2'
_chemical_formula_sum            'C22 H13 Eu N3 O8 S2'
_chemical_formula_weight         663.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-12-04 deposited with the CCDC.
2014-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 117.570(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.080(6)
_cell_length_b                   18.657(5)
_cell_length_c                   13.864(4)
_cell_measurement_reflns_used    6073
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5087
_cell_measurement_theta_min      2.1908
_cell_volume                     4604(2)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  CCD_Profile_fitting
_diffrn_measurement_method       'ω scan'
_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  0.0000
_diffrn_reflns_av_unetI/netI     0.0524
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5094
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.65
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.962
_exptl_absorpt_correction_T_max  0.929
_exptl_absorpt_correction_T_min  0.837
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.914
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.025
_platon_squeeze_details
;
;
_refine_diff_density_max         1.367
_refine_diff_density_min         -1.388
_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     325
_refine_ls_number_reflns         5094
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0535
_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)+(0.0808P)²+22.5643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1395
_refine_ls_wR_factor_ref         0.1471
_reflns_number_gt                4258
_reflns_number_total             5094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03421j2.cif
_cod_data_source_block           Eu-OA-DSTP
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 7033405--7033408.cif.

The following automatic conversions were performed:

'_refine_ls_hydrogen_treatment' value 'constru' was replaced with the
value 'constr' as specified in the replacement file
'src/cod-tools/trunk/data/replacement-values/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7033406
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Eu Eu 0.150776(19) 0.319520(18) 0.27520(2) 0.03348(15) Uani 1 1 d .
S1 S 0.04644(8) 0.38044(8) -0.60112(10) 0.0266(3) Uani 1 1 d .
S2 S 0.19039(11) 0.22950(10) -0.22385(13) 0.0425(5) Uani 1 1 d .
O1 O -0.0348(2) 0.3832(2) -0.6592(3) 0.0266(9) Uani 1 1 d .
O2 O 0.0812(3) 0.4462(3) -0.6089(4) 0.0593(17) Uani 1 1 d .
O3 O 0.0742(3) 0.3159(3) -0.6323(4) 0.0484(14) Uani 1 1 d .
O4 O 0.1423(4) 0.1694(3) -0.2337(6) 0.075(2) Uani 1 1 d .
O5 O 0.2349(3) 0.2545(4) -0.1141(4) 0.0646(18) Uani 1 1 d .
O6 O 0.2349(3) 0.2180(3) -0.2808(4) 0.0494(14) Uani 1 1 d .
O7 O 0.1880(4) 0.2155(4) 0.3889(5) 0.073(2) Uani 1 1 d .
O8 O 0.2574(3) 0.1539(4) 0.5418(4) 0.0585(16) Uani 1 1 d .
N1 N 0.0845(4) 0.2175(3) 0.1495(5) 0.0435(15) Uani 1 1 d .
N2 N 0.1307(3) 0.3320(3) 0.0805(4) 0.0271(11) Uani 1 1 d .
N3 N 0.2004(3) 0.4327(3) 0.2343(4) 0.0349(12) Uani 1 1 d .
C1 C 0.0588(6) 0.1620(5) 0.1862(8) 0.064(3) Uani 1 1 d .
H1A H 0.0728 0.1596 0.2616 0.077 Uiso 1 1 calc R
C2 C 0.0133(8) 0.1090(5) 0.1189(10) 0.093(4) Uani 1 1 d .
H2A H -0.0025 0.0704 0.1481 0.111 Uiso 1 1 calc R
C3 C -0.0091(9) 0.1123(5) 0.0091(10) 0.099(4) Uani 1 1 d .
H3A H -0.0430 0.0780 -0.0395 0.119 Uiso 1 1 calc R
C4 C 0.0193(8) 0.1672(5) -0.0285(9) 0.078(4) Uani 1 1 d .
H4A H 0.0072 0.1693 -0.1033 0.094 Uiso 1 1 calc R
C5 C 0.0651(5) 0.2189(4) 0.0428(6) 0.0432(18) Uani 1 1 d .
C6 C 0.0951(4) 0.2797(3) 0.0067(5) 0.0292(13) Uani 1 1 d .
C7 C 0.0880(4) 0.2833(3) -0.0991(5) 0.0304(13) Uani 1 1 d .
H7A H 0.0652 0.2451 -0.1490 0.036 Uiso 1 1 calc R
C8 C 0.1151(4) 0.3439(3) -0.1304(4) 0.0276(12) Uani 1 1 d .
C9 C 0.1472(3) 0.3973(3) -0.0548(4) 0.0262(12) Uani 1 1 d .
H9A H 0.1640 0.4397 -0.0745 0.031 Uiso 1 1 calc R
C10 C 0.1555(3) 0.3905(3) 0.0501(4) 0.0252(12) Uani 1 1 d .
C11 C 0.1947(3) 0.4459(3) 0.1338(4) 0.0280(13) Uani 1 1 d .
C12 C 0.2233(4) 0.5070(4) 0.1146(5) 0.0385(15) Uani 1 1 d .
H12A H 0.2182 0.5162 0.0441 0.046 Uiso 1 1 calc R
C13 C 0.2598(5) 0.5558(5) 0.1976(6) 0.053(2) Uani 1 1 d .
H13A H 0.2794 0.5988 0.1841 0.064 Uiso 1 1 calc R
C14 C 0.2676(5) 0.5423(5) 0.2991(7) 0.060(2) Uani 1 1 d .
H14A H 0.2929 0.5751 0.3572 0.072 Uiso 1 1 calc R
C15 C 0.2380(5) 0.4802(5) 0.3143(6) 0.058(2) Uani 1 1 d .
H15A H 0.2441 0.4700 0.3850 0.069 Uiso 1 1 calc R
C16 C 0.1044(3) 0.3508(3) -0.2442(4) 0.0256(12) Uani 1 1 d .
C17 C 0.1299(4) 0.3013(3) -0.2954(4) 0.0290(13) Uani 1 1 d .
C18 C 0.1117(4) 0.3099(3) -0.4056(5) 0.0286(13) Uani 1 1 d .
H18A H 0.1282 0.2757 -0.4407 0.034 Uiso 1 1 calc R
C19 C 0.0700(3) 0.3679(3) -0.4619(4) 0.0248(12) Uani 1 1 d .
C20 C 0.0476(4) 0.4191(3) -0.4099(5) 0.0351(15) Uani 1 1 d .
H20A H 0.0191 0.4595 -0.4490 0.042 Uiso 1 1 calc R
C21 C 0.0670(4) 0.4109(3) -0.3011(5) 0.0340(14) Uani 1 1 d .
H21A H 0.0542 0.4475 -0.2648 0.041 Uiso 1 1 calc R
C22 C 0.2351(5) 0.2123(5) 0.4818(7) 0.053(2) 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'
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'
S S 0.1246 0.1234 '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
O6 Eu O7 74.67(19) 7 .
O6 Eu O8 76.54(18) 7 7_556
O7 Eu O8 67.5(3) . 7_556
O6 Eu O3 145.09(15) 7 1_556
O7 Eu O3 73.09(17) . 1_556
O8 Eu O3 79.1(2) 7_556 1_556
O6 Eu O1 141.35(14) 7 2_554
O7 Eu O1 137.8(2) . 2_554
O8 Eu O1 128.94(17) 7_556 2_554
O3 Eu O1 73.49(14) 1_556 2_554
O6 Eu N1 89.6(2) 7 .
O7 Eu N1 75.2(2) . .
O8 Eu N1 142.5(2) 7_556 .
O3 Eu N1 94.82(19) 1_556 .
O1 Eu N1 82.74(17) 2_554 .
O6 Eu N3 77.03(19) 7 .
O7 Eu N3 142.8(2) . .
O8 Eu N3 82.8(2) 7_556 .
O3 Eu N3 124.09(17) 1_556 .
O1 Eu N3 78.41(16) 2_554 .
N1 Eu N3 128.35(16) . .
O6 Eu N2 74.78(15) 7 .
O7 Eu N2 128.33(19) . .
O8 Eu N2 140.2(2) 7_556 .
O3 Eu N2 137.48(17) 1_556 .
O1 Eu N2 67.81(14) 2_554 .
N1 Eu N2 63.93(16) . .
N3 Eu N2 64.41(16) . .
O6 Eu C22 72.10(18) 7 7_556
O7 Eu C22 44.5(2) . 7_556
O8 Eu C22 23.0(2) 7_556 7_556
O3 Eu C22 75.67(19) 1_556 7_556
O1 Eu C22 143.26(16) 2_554 7_556
N1 Eu C22 119.5(2) . 7_556
N3 Eu C22 103.5(2) . 7_556
N2 Eu C22 146.61(19) . 7_556
O6 Eu C22 71.78(18) 7 .
O7 Eu C22 17.1(3) . .
O8 Eu C22 50.5(2) 7_556 .
O3 Eu C22 73.46(18) 1_556 .
O1 Eu C22 145.97(17) 2_554 .
N1 Eu C22 92.2(2) . .
N3 Eu C22 128.1(2) . .
N2 Eu C22 138.72(16) . .
C22 Eu C22 27.5(3) 7_556 .
O6 Eu S1 151.93(11) 7 1_556
O7 Eu S1 90.93(13) . 1_556
O8 Eu S1 75.69(14) 7_556 1_556
O3 Eu S1 20.79(12) 1_556 1_556
O1 Eu S1 63.53(9) 2_554 1_556
N1 Eu S1 110.21(13) . 1_556
N3 Eu S1 103.36(12) . 1_556
N2 Eu S1 131.32(11) . 1_556
C22 Eu S1 80.70(14) 7_556 1_556
C22 Eu S1 87.33(13) . 1_556
O2 S1 O1 112.9(3) . .
O2 S1 O3 114.3(4) . .
O1 S1 O3 110.3(3) . .
O2 S1 C19 107.4(3) . .
O1 S1 C19 105.9(2) . .
O3 S1 C19 105.3(3) . .
O2 S1 Eu 79.4(3) . 1_554
O1 S1 Eu 121.44(16) . 1_554
O3 S1 Eu 35.7(2) . 1_554
C19 S1 Eu 125.3(2) . 1_554
O5 S2 O4 114.4(4) . .
O5 S2 O6 112.6(3) . .
O4 S2 O6 112.7(4) . .
O5 S2 C17 106.0(3) . .
O4 S2 C17 106.2(4) . .
O6 S2 C17 103.9(3) . .
S1 O1 Eu 146.6(3) . 2_554
S1 O3 Eu 123.6(3) . 1_554
S2 O6 Eu 148.8(3) . 7
C22 O7 Eu 126.9(7) . .
C22 O8 Eu 111.5(6) . 7_556
C5 N1 C1 117.4(7) . .
C5 N1 Eu 122.7(5) . .
C1 N1 Eu 119.4(5) . .
C10 N2 C6 119.4(5) . .
C10 N2 Eu 120.4(4) . .
C6 N2 Eu 120.2(4) . .
C15 N3 C11 118.1(6) . .
C15 N3 Eu 119.9(5) . .
C11 N3 Eu 121.9(4) . .
N1 C1 C2 122.9(8) . .
N1 C1 H1A 118.6 . .
C2 C1 H1A 118.6 . .
C3 C2 C1 119.5(9) . .
C3 C2 H2A 120.3 . .
C1 C2 H2A 120.3 . .
C2 C3 C4 118.0(11) . .
C2 C3 H3A 121.0 . .
C4 C3 H3A 121.0 . .
C5 C4 C3 120.0(9) . .
C5 C4 H4A 120.0 . .
C3 C4 H4A 120.0 . .
N1 C5 C4 122.1(7) . .
N1 C5 C6 115.6(6) . .
C4 C5 C6 122.3(6) . .
N2 C6 C7 121.0(6) . .
N2 C6 C5 117.0(5) . .
C7 C6 C5 122.0(6) . .
C8 C7 C6 119.5(6) . .
C8 C7 H7A 120.2 . .
C6 C7 H7A 120.2 . .
C9 C8 C7 117.3(5) . .
C9 C8 C16 122.1(5) . .
C7 C8 C16 120.5(5) . .
C8 C9 C10 121.4(5) . .
C8 C9 H9A 119.3 . .
C10 C9 H9A 119.3 . .
N2 C10 C9 121.2(5) . .
N2 C10 C11 117.4(5) . .
C9 C10 C11 121.3(5) . .
C12 C11 N3 120.6(6) . .
C12 C11 C10 123.5(5) . .
N3 C11 C10 115.9(5) . .
C11 C12 C13 119.9(6) . .
C11 C12 H12A 120.0 . .
C13 C12 H12A 120.0 . .
C14 C13 C12 120.0(8) . .
C14 C13 H13A 120.0 . .
C12 C13 H13A 120.0 . .
C15 C14 C13 117.8(7) . .
C15 C14 H14A 121.1 . .
C13 C14 H14A 121.1 . .
N3 C15 C14 123.5(7) . .
N3 C15 H15A 118.3 . .
C14 C15 H15A 118.3 . .
C21 C16 C17 118.6(5) . .
C21 C16 C8 116.6(5) . .
C17 C16 C8 124.8(5) . .
C16 C17 C18 120.3(5) . .
C16 C17 S2 122.1(4) . .
C18 C17 S2 117.4(5) . .
C19 C18 C17 119.5(5) . .
C19 C18 H18A 120.3 . .
C17 C18 H18A 120.3 . .
C18 C19 C20 120.4(5) . .
C18 C19 S1 120.6(4) . .
C20 C19 S1 119.0(4) . .
C21 C20 C19 119.7(6) . .
C21 C20 H20A 120.2 . .
C19 C20 H20A 120.2 . .
C16 C21 C20 121.2(6) . .
C16 C21 H21A 119.4 . .
C20 C21 H21A 119.4 . .
O7 C22 O8 126.1(9) . .
O7 C22 C22 107.8(10) . 7_556
O8 C22 C22 126.1(10) . 7_556
O7 C22 Eu 171.3(7) . 7_556
O8 C22 Eu 45.4(4) . 7_556
C22 C22 Eu 80.7(7) 7_556 7_556
O7 C22 Eu 36.0(5) . .
O8 C22 Eu 162.0(6) . .
C22 C22 Eu 71.8(6) 7_556 .
Eu C22 Eu 152.5(3) 7_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu O6 2.365(5) 7
Eu O7 2.392(5) .
Eu O8 2.399(5) 7_556
Eu O3 2.418(5) 1_556
Eu O1 2.440(4) 2_554
Eu N1 2.507(7) .
Eu N3 2.509(6) .
Eu N2 2.549(5) .
Eu C22 3.132(9) 7_556
Eu C22 3.253(9) .
Eu S1 3.4564(16) 1_556
S1 O2 1.440(5) .
S1 O1 1.448(4) .
S1 O3 1.472(5) .
S1 C19 1.777(5) .
S1 Eu 3.4564(16) 1_554
S2 O5 1.440(6) .
S2 O4 1.444(7) .
S2 O6 1.458(5) .
S2 C17 1.772(6) .
O1 Eu 2.440(4) 2_554
O3 Eu 2.418(5) 1_554
O6 Eu 2.365(5) 7
O7 C22 1.195(10) .
O8 C22 1.317(10) .
O8 Eu 2.399(5) 7_556
N1 C5 1.345(8) .
N1 C1 1.356(10) .
N2 C10 1.345(8) .
N2 C6 1.354(8) .
N3 C15 1.346(9) .
N3 C11 1.365(7) .
C1 C2 1.376(15) .
C1 H1A 0.9500 .
C2 C3 1.375(15) .
C2 H2A 0.9500 .
C3 C4 1.385(13) .
C3 H3A 0.9500 .
C4 C5 1.383(13) .
C4 H4A 0.9500 .
C5 C6 1.476(9) .
C6 C7 1.409(7) .
C7 C8 1.407(9) .
C7 H7A 0.9500 .
C8 C9 1.371(8) .
C8 C16 1.496(7) .
C9 C10 1.391(7) .
C9 H9A 0.9500 .
C10 C11 1.481(8) .
C11 C12 1.357(9) .
C12 C13 1.383(10) .
C12 H12A 0.9500 .
C13 C14 1.364(12) .
C13 H13A 0.9500 .
C14 C15 1.362(13) .
C14 H14A 0.9500 .
C15 H15A 0.9500 .
C16 C21 1.377(8) .
C16 C17 1.398(8) .
C17 C18 1.405(7) .
C18 C19 1.370(8) .
C18 H18A 0.9500 .
C19 C20 1.392(8) .
C20 C21 1.381(8) .
C20 H20A 0.9500 .
C21 H21A 0.9500 .
C22 C22 1.521(18) 7_556
C22 Eu 3.132(9) 7_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_1
_geom_torsion_site_symmetry_4
O2 S1 O1 Eu 140.1(4) . 2_554
O3 S1 O1 Eu 10.7(5) . 2_554
C19 S1 O1 Eu -102.7(4) . 2_554
Eu S1 O1 Eu 48.6(5) 1_554 2_554
O2 S1 O3 Eu -12.6(4) . 1_554
O1 S1 O3 Eu 115.9(3) . 1_554
C19 S1 O3 Eu -130.2(3) . 1_554
O5 S2 O6 Eu 36.4(9) . 7
O4 S2 O6 Eu -94.8(8) . 7
C17 S2 O6 Eu 150.7(7) . 7
O6 Eu O7 C22 77.8(7) 7 .
O8 Eu O7 C22 -3.7(6) 7_556 .
O3 Eu O7 C22 -88.6(7) 1_556 .
O1 Eu O7 C22 -127.5(6) 2_554 .
N1 Eu O7 C22 171.5(7) . .
N3 Eu O7 C22 36.0(8) . .
N2 Eu O7 C22 133.5(6) . .
C22 Eu O7 C22 -2.1(7) 7_556 .
S1 Eu O7 C22 -77.8(6) 1_556 .
O6 Eu N1 C5 -78.2(6) 7 .
O7 Eu N1 C5 -152.4(6) . .
O8 Eu N1 C5 -145.1(6) 7_556 .
O3 Eu N1 C5 136.5(6) 1_556 .
O1 Eu N1 C5 63.9(6) 2_554 .
N3 Eu N1 C5 -5.1(7) . .
N2 Eu N1 C5 -4.9(5) . .
C22 Eu N1 C5 -147.2(6) 7_556 .
C22 Eu N1 C5 -149.9(6) . .
S1 Eu N1 C5 122.1(6) 1_556 .
O6 Eu N1 C1 109.9(7) 7 .
O7 Eu N1 C1 35.6(7) . .
O8 Eu N1 C1 42.9(8) 7_556 .
O3 Eu N1 C1 -35.4(7) 1_556 .
O1 Eu N1 C1 -108.1(7) 2_554 .
N3 Eu N1 C1 -177.1(6) . .
N2 Eu N1 C1 -176.9(7) . .
C22 Eu N1 C1 40.8(7) 7_556 .
C22 Eu N1 C1 38.1(7) . .
S1 Eu N1 C1 -49.8(7) 1_556 .
O6 Eu N2 C10 -82.4(4) 7 .
O7 Eu N2 C10 -138.0(4) . .
O8 Eu N2 C10 -37.1(5) 7_556 .
O3 Eu N2 C10 113.7(5) 1_556 .
O1 Eu N2 C10 87.7(4) 2_554 .
N1 Eu N2 C10 -179.6(5) . .
N3 Eu N2 C10 0.3(4) . .
C22 Eu N2 C10 -74.8(5) 7_556 .
C22 Eu N2 C10 -119.1(4) . .
S1 Eu N2 C10 85.7(4) 1_556 .
O6 Eu N2 C6 97.5(5) 7 .
O7 Eu N2 C6 41.9(6) . .
O8 Eu N2 C6 142.7(4) 7_556 .
O3 Eu N2 C6 -66.4(5) 1_556 .
O1 Eu N2 C6 -92.4(5) 2_554 .
N1 Eu N2 C6 0.3(4) . .
N3 Eu N2 C6 -179.8(5) . .
C22 Eu N2 C6 105.0(5) 7_556 .
C22 Eu N2 C6 60.7(6) . .
S1 Eu N2 C6 -94.4(4) 1_556 .
O6 Eu N3 C15 -97.8(6) 7 .
O7 Eu N3 C15 -56.5(7) . .
O8 Eu N3 C15 -20.0(6) 7_556 .
O3 Eu N3 C15 51.5(6) 1_556 .
O1 Eu N3 C15 112.3(6) 2_554 .
N1 Eu N3 C15 -176.8(5) . .
N2 Eu N3 C15 -177.0(6) . .
C22 Eu N3 C15 -30.1(6) 7_556 .
C22 Eu N3 C15 -43.9(6) . .
S1 Eu N3 C15 53.3(6) 1_556 .
O6 Eu N3 C11 78.0(5) 7 .
O7 Eu N3 C11 119.3(5) . .
O8 Eu N3 C11 155.8(5) 7_556 .
O3 Eu N3 C11 -132.6(4) 1_556 .
O1 Eu N3 C11 -71.9(5) 2_554 .
N1 Eu N3 C11 -1.0(6) . .
N2 Eu N3 C11 -1.1(4) . .
C22 Eu N3 C11 145.7(5) 7_556 .
C22 Eu N3 C11 132.0(4) . .
S1 Eu N3 C11 -130.8(4) 1_556 .
C5 N1 C1 C2 -1.4(14) . .
Eu N1 C1 C2 171.0(9) . .
N1 C1 C2 C3 -1.5(19) . .
C1 C2 C3 C4 4(2) . .
C2 C3 C4 C5 -4(2) . .
C1 N1 C5 C4 1.7(13) . .
Eu N1 C5 C4 -170.5(7) . .
C1 N1 C5 C6 -179.3(7) . .
Eu N1 C5 C6 8.6(9) . .
C3 C4 C5 N1 0.9(17) . .
C3 C4 C5 C6 -178.1(11) . .
C10 N2 C6 C7 4.3(8) . .
Eu N2 C6 C7 -175.6(4) . .
C10 N2 C6 C5 -176.4(6) . .
Eu N2 C6 C5 3.7(7) . .
N1 C5 C6 N2 -7.9(9) . .
C4 C5 C6 N2 171.2(8) . .
N1 C5 C6 C7 171.4(6) . .
C4 C5 C6 C7 -9.5(12) . .
N2 C6 C7 C8 -3.2(9) . .
C5 C6 C7 C8 177.6(6) . .
C6 C7 C8 C9 -0.3(9) . .
C6 C7 C8 C16 -176.5(6) . .
C7 C8 C9 C10 2.7(9) . .
C16 C8 C9 C10 178.8(5) . .
C6 N2 C10 C9 -1.9(8) . .
Eu N2 C10 C9 178.0(4) . .
C6 N2 C10 C11 -179.5(5) . .
Eu N2 C10 C11 0.4(7) . .
C8 C9 C10 N2 -1.7(9) . .
C8 C9 C10 C11 175.8(5) . .
C15 N3 C11 C12 -2.8(9) . .
Eu N3 C11 C12 -178.8(5) . .
C15 N3 C11 C10 177.7(6) . .
Eu N3 C11 C10 1.7(7) . .
N2 C10 C11 C12 179.2(6) . .
C9 C10 C11 C12 1.6(9) . .
N2 C10 C11 N3 -1.4(8) . .
C9 C10 C11 N3 -178.9(5) . .
N3 C11 C12 C13 1.1(10) . .
C10 C11 C12 C13 -179.4(6) . .
C11 C12 C13 C14 0.6(12) . .
C12 C13 C14 C15 -0.6(14) . .
C11 N3 C15 C14 2.9(12) . .
Eu N3 C15 C14 179.0(7) . .
C13 C14 C15 N3 -1.2(14) . .
C9 C8 C16 C21 -53.2(9) . .
C7 C8 C16 C21 122.7(7) . .
C9 C8 C16 C17 126.3(7) . .
C7 C8 C16 C17 -57.7(9) . .
C21 C16 C17 C18 -5.6(10) . .
C8 C16 C17 C18 174.9(6) . .
C21 C16 C17 S2 170.5(5) . .
C8 C16 C17 S2 -9.1(9) . .
O5 S2 C17 C16 -30.2(7) . .
O4 S2 C17 C16 91.8(6) . .
O6 S2 C17 C16 -149.1(6) . .
O5 S2 C17 C18 145.9(6) . .
O4 S2 C17 C18 -92.1(6) . .
O6 S2 C17 C18 27.0(6) . .
C16 C17 C18 C19 1.2(10) . .
S2 C17 C18 C19 -174.9(5) . .
C17 C18 C19 C20 1.9(10) . .
C17 C18 C19 S1 179.7(5) . .
O2 S1 C19 C18 -117.0(6) . .
O1 S1 C19 C18 122.1(5) . .
O3 S1 C19 C18 5.2(6) . .
Eu S1 C19 C18 -27.8(6) 1_554 .
O2 S1 C19 C20 60.8(6) . .
O1 S1 C19 C20 -60.1(6) . .
O3 S1 C19 C20 -177.0(5) . .
Eu S1 C19 C20 150.0(4) 1_554 .
C18 C19 C20 C21 -0.7(10) . .
S1 C19 C20 C21 -178.5(5) . .
C17 C16 C21 C20 6.8(10) . .
C8 C16 C21 C20 -173.6(6) . .
C19 C20 C21 C16 -3.8(11) . .
Eu O7 C22 O8 -176.6(5) . .
Eu O7 C22 C22 3.2(11) . 7_556
Eu O7 C22 Eu 170(3) . 7_556
Eu O8 C22 O7 -177.2(7) 7_556 .
Eu O8 C22 C22 3.1(12) 7_556 7_556
Eu O8 C22 Eu 176.2(15) 7_556 .
O6 Eu C22 O7 -97.1(7) 7 .
O8 Eu C22 O7 175.6(8) 7_556 .
O3 Eu C22 O7 86.2(7) 1_556 .
O1 Eu C22 O7 72.0(7) 2_554 .
N1 Eu C22 O7 -8.2(7) . .
N3 Eu C22 O7 -153.1(6) . .
N2 Eu C22 O7 -59.6(8) . .
C22 Eu C22 O7 176.8(11) 7_556 .
S1 Eu C22 O7 101.9(6) 1_556 .
O6 Eu C22 O8 -88.1(17) 7 .
O7 Eu C22 O8 9.0(14) . .
O8 Eu C22 O8 -175.5(18) 7_556 .
O3 Eu C22 O8 95.2(17) 1_556 .
O1 Eu C22 O8 81.0(17) 2_554 .
N1 Eu C22 O8 0.8(17) . .
N3 Eu C22 O8 -144.2(17) . .
N2 Eu C22 O8 -50.6(19) . .
C22 Eu C22 O8 -174(2) 7_556 .
S1 Eu C22 O8 110.9(17) 1_556 .
O6 Eu C22 C22 86.1(6) 7 7_556
O7 Eu C22 C22 -176.8(11) . 7_556
O8 Eu C22 C22 -1.3(5) 7_556 7_556
O3 Eu C22 C22 -90.6(6) 1_556 7_556
O1 Eu C22 C22 -104.8(6) 2_554 7_556
N1 Eu C22 C22 175.0(6) . 7_556
N3 Eu C22 C22 30.0(7) . 7_556
N2 Eu C22 C22 123.6(5) . 7_556
S1 Eu C22 C22 -74.9(6) 1_556 7_556
O6 Eu C22 Eu 86.1(6) 7 7_556
O7 Eu C22 Eu -176.8(11) . 7_556
O8 Eu C22 Eu -1.3(5) 7_556 7_556
O3 Eu C22 Eu -90.6(6) 1_556 7_556
O1 Eu C22 Eu -104.8(6) 2_554 7_556
N1 Eu C22 Eu 175.0(6) . 7_556
N3 Eu C22 Eu 30.0(7) . 7_556
N2 Eu C22 Eu 123.6(5) . 7_556
C22 Eu C22 Eu 0.0 7_556 7_556
S1 Eu C22 Eu -74.9(6) 1_556 7_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 1.000 -0.035 0.250 121 59 ' '
2 0.500 0.465 0.250 121 59 ' '
3 1.000 0.035 0.750 121 59 ' '
4 0.500 0.535 0.750 121 59 ' '
