#------------------------------------------------------------------------------
#$Date: 2019-11-17 10:13:07 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229284 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/73/7047390.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_7047390
loop_
_publ_author_name
'Zou, Ji-Yong'
'Li, Ling'
'You, Sheng-Yong'
'Liu, Yue-Wei'
'Cui, Hong-Min'
'Cui, Jian-Zhong'
'Zhang, Shao-Wei'
_publ_section_title
;
 Two luminescent lanthanide(iii) metal-organic frameworks as chemosensors
 for high-efficiency recognition of Cr(vi) anions in aqueous solution.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15694
_journal_page_last               15702
_journal_paper_doi               10.1039/c8dt03050b
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C52 H42 Eu4 N4 O37'
_chemical_formula_weight         1922.73
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-08-20 deposited with the CCDC.
2018-08-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 103.8210(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.07320(10)
_cell_length_b                   26.0989(3)
_cell_length_c                   13.9595(2)
_cell_measurement_reflns_used    5719
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      74.2500
_cell_measurement_theta_min      3.6450
_cell_volume                     3209.91(7)
_computing_data_collection       'Bruker FRAMBO'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  bruker-CCD
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0637
_diffrn_reflns_av_unetI/netI     0.0760
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9644
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        66.096
_diffrn_reflns_theta_max         66.096
_diffrn_reflns_theta_min         3.674
_exptl_absorpt_coefficient_mu    28.452
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_description       block
_exptl_crystal_F_000             1860
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.190
_platon_squeeze_details
;
;
_refine_diff_density_max         4.210
_refine_diff_density_min         -3.254
_refine_diff_density_rms         0.370
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         5547
_refine_ls_number_restraints     1290
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1176
_refine_ls_R_factor_gt           0.1066
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0196P)²+295.4103P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2314
_refine_ls_wR_factor_ref         0.2396
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4725
_reflns_number_total             5547
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt03050b2.cif
_cod_data_source_block           Eu4
_cod_depositor_comments
'Adding full bibliography for 7047390--7047391.cif.'
_cod_database_code               7047390
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.066
_shelx_estimated_absorpt_t_max   0.074
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Eu1 Eu 0.40624(6) 0.14625(2) 0.24332(4) 0.01365(12) Uani 1 1 d . . .
Eu2 Eu -0.09890(7) 0.09965(2) 0.27495(4) 0.01883(14) Uani 1 1 d . . .
O1 O -0.2134(8) 0.1802(3) 0.2396(5) 0.0279(10) Uani 1 1 d . U .
O2 O -0.4498(8) 0.1920(3) 0.1444(5) 0.0249(11) Uani 1 1 d . U .
O3 O -0.3398(7) 0.2666(3) 0.0389(5) 0.0204(9) Uani 1 1 d . U .
O4 O -0.4611(8) 0.3369(3) -0.1086(5) 0.0242(12) Uani 1 1 d . U .
O5 O -0.2289(8) 0.3479(3) -0.1347(5) 0.0290(11) Uani 1 1 d . U .
O6 O -0.2139(8) 0.2632(3) -0.2609(5) 0.0267(11) Uani 1 1 d . U .
O7 O 0.0142(8) 0.2758(3) -0.1696(5) 0.0238(10) Uani 1 1 d . U .
O8 O 0.0065(8) 0.1929(3) -0.0585(5) 0.0236(9) Uani 1 1 d . U .
O9 O 0.2104(8) 0.1510(3) 0.0976(5) 0.0258(12) Uani 1 1 d . U .
O10 O 0.0147(9) 0.1191(3) 0.1532(5) 0.0327(10) Uani 1 1 d . U .
O11 O 0.3158(8) 0.0643(3) 0.2708(5) 0.0295(11) Uani 1 1 d . U .
O12 O 0.1156(9) 0.0526(3) 0.3380(6) 0.0367(11) Uani 1 1 d . U .
O13 O 0.2551(8) -0.0276(3) 0.4445(6) 0.0319(10) Uani 1 1 d . U .
O14 O 0.4100(10) -0.1252(3) 0.6121(6) 0.0429(13) Uani 1 1 d . U .
O15 O 0.1782(9) -0.0879(3) 0.5824(6) 0.0416(13) Uani 1 1 d . U .
O16 O -0.2665(10) 0.0694(3) 0.1253(6) 0.0439(10) Uani 1 1 d . U .
O17 O -0.4153(10) 0.0890(3) 0.2013(6) 0.0442(11) Uani 1 1 d . U .
O18 O -0.1825(11) 0.0125(4) 0.2831(7) 0.0531(13) Uani 1 1 d . U .
O19 O -0.5000 0.0000 0.0000 0.0419(13) Uani 1 2 d S U P
C1 C -0.3085(12) 0.2025(4) 0.1681(7) 0.0256(10) Uani 1 1 d . U .
C2 C -0.2456(11) 0.2416(4) 0.1150(7) 0.0218(11) Uani 1 1 d . U .
C3 C -0.0995(12) 0.2564(4) 0.1235(7) 0.0237(10) Uani 1 1 d . U .
H3A H -0.0129 0.2450 0.1713 0.028 Uiso 1 1 calc R U .
C4 C -0.1017(12) 0.2926(4) 0.0464(7) 0.0234(10) Uani 1 1 d . U .
H4A H -0.0175 0.3097 0.0315 0.028 Uiso 1 1 calc R U .
C5 C -0.2516(11) 0.2972(4) -0.0016(7) 0.0226(9) Uani 1 1 d . U .
C6 C -0.3213(12) 0.3283(4) -0.0890(7) 0.0228(11) Uani 1 1 d . U .
C7 C -0.1051(12) 0.2490(4) -0.1938(7) 0.0242(10) Uani 1 1 d . U .
C8 C -0.1160(12) 0.2028(4) -0.1350(7) 0.0252(11) Uani 1 1 d . U .
C9 C -0.2315(12) 0.1735(4) -0.1317(7) 0.0262(11) Uani 1 1 d . U .
H9A H -0.3275 0.1731 -0.1776 0.031 Uiso 1 1 calc R U .
C10 C -0.1844(12) 0.1417(4) -0.0439(7) 0.0272(10) Uani 1 1 d . U .
H10A H -0.2431 0.1173 -0.0186 0.033 Uiso 1 1 calc R U .
C11 C -0.0376(12) 0.1548(4) -0.0068(7) 0.0251(10) Uani 1 1 d . U .
C12 C 0.0721(12) 0.1399(4) 0.0890(7) 0.0273(11) Uani 1 1 d . U .
C13 C 0.2466(13) 0.0406(5) 0.3255(9) 0.0337(11) Uani 1 1 d . U .
C14 C 0.3211(13) -0.0043(4) 0.3767(8) 0.0315(12) Uani 1 1 d . U .
C15 C 0.4505(13) -0.0282(4) 0.3754(9) 0.0338(12) Uani 1 1 d . U .
H15A H 0.5171 -0.0198 0.3345 0.041 Uiso 1 1 calc R U .
C16 C 0.4712(14) -0.0680(5) 0.4450(9) 0.0367(12) Uani 1 1 d . U .
H16A H 0.5536 -0.0914 0.4611 0.044 Uiso 1 1 calc R U .
C17 C 0.3505(13) -0.0659(5) 0.4837(9) 0.0345(12) Uani 1 1 d . U .
C18 C 0.3093(13) -0.0946(5) 0.5682(9) 0.0357(13) Uani 1 1 d . U .
C19 C -0.1979(11) 0.2242(4) 0.5367(7) 0.023(2) Uani 1 1 d . U .
H19A H -0.2231 0.1885 0.5482 0.034 Uiso 1 1 calc R U .
H19B H -0.1013 0.2333 0.5819 0.034 Uiso 1 1 calc R U .
H19C H -0.2782 0.2468 0.5482 0.034 Uiso 1 1 calc R U .
C20 C -0.1471(12) 0.2824(4) 0.4099(7) 0.024(2) Uani 1 1 d . U .
H20A H -0.1399 0.2839 0.3410 0.036 Uiso 1 1 calc R U .
H20B H -0.2266 0.3059 0.4196 0.036 Uiso 1 1 calc R U .
H20C H -0.0497 0.2925 0.4533 0.036 Uiso 1 1 calc R U .
C21 C -0.1242(16) -0.0256(5) 0.3268(10) 0.0450(15) Uani 1 1 d . U .
C22 C -0.087(2) -0.1162(6) 0.3595(13) 0.068(3) Uani 1 1 d . U .
H22A H -0.1163 -0.1470 0.3194 0.101 Uiso 1 1 calc R U .
H22B H 0.0241 -0.1148 0.3821 0.101 Uiso 1 1 calc R U .
H22C H -0.1316 -0.1172 0.4167 0.101 Uiso 1 1 calc R U .
C23 C -0.240(2) -0.0833(8) 0.2049(14) 0.086(3) Uani 1 1 d . U .
H23A H -0.2438 -0.1203 0.1929 0.129 Uiso 1 1 calc R U .
H23B H -0.3421 -0.0706 0.2033 0.129 Uiso 1 1 calc R U .
H23C H -0.2008 -0.0660 0.1537 0.129 Uiso 1 1 calc R U .
C24 C -0.4102(14) 0.0655(5) 0.1200(9) 0.0372(11) Uani 1 1 d . U .
C25 C -0.514(3) 0.0336(10) 0.0743(19) 0.0413(13) Uani 0.5 1 d . U P
C26 C -0.663(3) 0.0255(10) 0.0650(19) 0.0404(14) Uani 0.5 1 d . U P
H26A H -0.7205 0.0436 0.1035 0.048 Uiso 0.5 1 d R U P
C27 C -0.712(3) -0.0102(9) -0.0103(18) 0.0389(16) Uani 0.5 1 d . U P
H27A H -0.8154 -0.0206 -0.0378 0.047 Uiso 0.5 1 d R U P
C28 C -0.595(3) -0.0268(9) -0.0386(18) 0.0383(16) Uani 0.5 1 d . U P
N1 N -0.139(2) -0.0726(4) 0.3026(9) 0.084(6) Uani 1 1 d . . .
N2 N -0.1847(9) 0.2300(4) 0.4337(6) 0.024(2) Uani 1 1 d . . .
H2WA H -0.1116 0.2084 0.4232 0.029 Uiso 1 1 calc R U .
H2WB H -0.2741 0.2207 0.3922 0.029 Uiso 1 1 calc R U .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 '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
O5 Eu1 O11 71.1(3) 4_666 .
O5 Eu1 O14 77.1(3) 4_666 3_656
O11 Eu1 O14 81.4(3) . 3_656
O5 Eu1 O9 102.0(3) 4_666 .
O11 Eu1 O9 88.2(2) . .
O14 Eu1 O9 169.3(3) 3_656 .
O5 Eu1 O17 136.9(3) 4_666 1_655
O11 Eu1 O17 75.7(3) . 1_655
O14 Eu1 O17 71.4(3) 3_656 1_655
O9 Eu1 O17 103.7(3) . 1_655
O5 Eu1 O2 146.3(3) 4_666 1_655
O11 Eu1 O2 142.6(3) . 1_655
O14 Eu1 O2 103.6(3) 3_656 1_655
O9 Eu1 O2 83.1(2) . 1_655
O17 Eu1 O2 71.2(3) 1_655 1_655
O5 Eu1 O7 78.5(3) 4_666 4_666
O11 Eu1 O7 141.8(2) . 4_666
O14 Eu1 O7 69.6(3) 3_656 4_666
O9 Eu1 O7 120.8(2) . 4_666
O17 Eu1 O7 115.4(3) 1_655 4_666
O2 Eu1 O7 70.7(2) 1_655 4_666
O5 Eu1 O6 70.5(3) 4_666 4_666
O11 Eu1 O6 132.0(3) . 4_666
O14 Eu1 O6 116.1(3) 3_656 4_666
O9 Eu1 O6 73.0(2) . 4_666
O17 Eu1 O6 150.8(3) 1_655 4_666
O2 Eu1 O6 79.6(2) 1_655 4_666
O7 Eu1 O6 51.1(2) 4_666 4_666
O5 Eu1 C7 69.6(3) 4_666 4_666
O11 Eu1 C7 140.6(3) . 4_666
O14 Eu1 C7 91.7(3) 3_656 4_666
O9 Eu1 C7 97.9(3) . 4_666
O17 Eu1 C7 138.4(3) 1_655 4_666
O2 Eu1 C7 76.7(3) 1_655 4_666
O7 Eu1 C7 25.9(3) 4_666 4_666
O6 Eu1 C7 25.6(2) 4_666 4_666
O10 Eu2 O12 84.9(3) . .
O10 Eu2 O15 169.4(3) . 3_556
O12 Eu2 O15 90.5(3) . 3_556
O10 Eu2 O1 84.2(3) . .
O12 Eu2 O1 148.7(3) . .
O15 Eu2 O1 95.0(3) 3_556 .
O10 Eu2 O16 74.1(3) . .
O12 Eu2 O16 117.4(3) . .
O15 Eu2 O16 116.5(3) 3_556 .
O1 Eu2 O16 87.4(3) . .
O10 Eu2 O18 117.1(3) . .
O12 Eu2 O18 74.0(3) . .
O15 Eu2 O18 70.4(3) 3_556 .
O1 Eu2 O18 136.7(3) . .
O16 Eu2 O18 65.8(3) . .
O10 Eu2 O4 95.5(3) . 4_666
O12 Eu2 O4 81.7(3) . 4_666
O15 Eu2 O4 74.3(3) 3_556 4_666
O1 Eu2 O4 70.3(2) . 4_666
O16 Eu2 O4 156.5(3) . 4_666
O18 Eu2 O4 136.5(3) . 4_666
O10 Eu2 O17 110.9(3) . .
O12 Eu2 O17 141.6(3) . .
O15 Eu2 O17 78.5(3) 3_556 .
O1 Eu2 O17 69.5(3) . .
O16 Eu2 O17 43.5(3) . .
O18 Eu2 O17 67.7(3) . .
O4 Eu2 O17 128.5(3) 4_666 .
O10 Eu2 C18 166.8(3) . 3_556
O12 Eu2 C18 107.6(3) . 3_556
O15 Eu2 C18 17.9(3) 3_556 3_556
O1 Eu2 C18 82.8(3) . 3_556
O16 Eu2 C18 102.8(3) . 3_556
O18 Eu2 C18 71.7(3) . 3_556
O4 Eu2 C18 82.4(3) 4_666 3_556
O17 Eu2 C18 61.9(3) . 3_556
O10 Eu2 C24 92.4(3) . .
O12 Eu2 C24 129.3(3) . .
O15 Eu2 C24 98.0(3) 3_556 .
O1 Eu2 C24 80.5(3) . .
O16 Eu2 C24 20.2(3) . .
O18 Eu2 C24 62.5(3) . .
O4 Eu2 C24 148.7(3) 4_666 .
O17 Eu2 C24 23.5(3) . .
C18 Eu2 C24 83.1(3) 3_556 .
C1 O1 Eu2 138.4(7) . .
C1 O2 Eu1 127.0(6) . 1_455
C5 O3 C2 106.7(7) . .
C6 O4 Eu2 126.6(7) . 4_565
C6 O5 Eu1 156.2(7) . 4_565
C7 O6 Eu1 90.1(6) . 4_565
C7 O7 Eu1 96.4(6) . 4_565
C11 O8 C8 105.6(8) . .
C12 O9 Eu1 126.5(6) . .
C12 O10 Eu2 167.6(8) . .
C13 O11 Eu1 142.0(8) . .
C13 O12 Eu2 144.0(7) . .
C17 O13 C14 105.3(9) . .
C18 O14 Eu1 148.1(8) . 3_656
C18 O15 Eu2 128.3(7) . 3_556
C24 O16 C28 53.7(11) . 3_455
C24 O16 Eu2 119.7(8) . .
C28 O16 Eu2 159.7(9) 3_455 .
C24 O17 Eu1 132.8(8) . 1_455
C24 O17 Eu2 96.8(7) . .
Eu1 O17 Eu2 122.8(3) 1_455 .
C21 O18 Eu2 133.6(9) . .
C28 O19 C28 180(2) 3_455 .
C28 O19 C25 56.6(18) 3_455 .
C28 O19 C25 123.4(18) . .
C28 O19 C25 123.4(18) 3_455 3_455
C28 O19 C25 56.6(18) . 3_455
C25 O19 C25 180.0 . 3_455
C28 O19 C27 138.9(16) 3_455 .
C28 O19 C27 41.1(16) . .
C25 O19 C27 82.9(13) . .
C25 O19 C27 97.1(13) 3_455 .
C28 O19 C27 41.1(16) 3_455 3_455
C28 O19 C27 138.9(16) . 3_455
C25 O19 C27 97.1(13) . 3_455
C25 O19 C27 82.9(13) 3_455 3_455
C27 O19 C27 180.0 . 3_455
O2 C1 O1 123.3(10) . .
O2 C1 C2 120.7(9) . .
O1 C1 C2 116.0(9) . .
C3 C2 O3 110.4(9) . .
C3 C2 C1 130.4(9) . .
O3 C2 C1 119.0(9) . .
C2 C3 C4 106.6(9) . .
C2 C3 H3A 126.7 . .
C4 C3 H3A 126.7 . .
C5 C4 C3 105.1(9) . .
C5 C4 H4A 127.5 . .
C3 C4 H4A 127.5 . .
O3 C5 C4 111.3(8) . .
O3 C5 C6 119.5(8) . .
C4 C5 C6 129.2(10) . .
O4 C6 O5 124.8(9) . .
O4 C6 C5 119.4(10) . .
O5 C6 C5 115.5(9) . .
O6 C7 O7 120.7(9) . .
O6 C7 C8 121.1(9) . .
O7 C7 C8 118.1(8) . .
O6 C7 Eu1 64.3(6) . 4_565
O7 C7 Eu1 57.7(5) . 4_565
C8 C7 Eu1 163.2(8) . 4_565
C9 C8 O8 111.7(9) . .
C9 C8 C7 131.2(9) . .
O8 C8 C7 116.0(9) . .
C8 C9 C10 106.6(9) . .
C8 C9 H9A 126.7 . .
C10 C9 H9A 126.7 . .
C11 C10 C9 104.0(9) . .
C11 C10 H10A 128.0 . .
C9 C10 H10A 128.0 . .
O8 C11 C10 112.0(9) . .
O8 C11 C12 116.5(9) . .
C10 C11 C12 130.7(10) . .
O10 C12 O9 126.8(9) . .
O10 C12 C11 116.2(9) . .
O9 C12 C11 116.9(9) . .
O11 C13 O12 125.2(10) . .
O11 C13 C14 116.9(11) . .
O12 C13 C14 117.9(11) . .
C15 C14 O13 109.5(10) . .
C15 C14 C13 132.7(11) . .
O13 C14 C13 117.8(10) . .
C14 C15 C16 107.9(11) . .
C14 C15 H15A 126.0 . .
C16 C15 H15A 126.0 . .
C17 C16 C15 105.3(11) . .
C17 C16 H16A 127.3 . .
C15 C16 H16A 127.3 . .
C16 C17 O13 112.0(10) . .
C16 C17 C18 132.4(11) . .
O13 C17 C18 115.3(10) . .
O14 C18 O15 127.8(11) . .
O14 C18 C17 114.0(11) . .
O15 C18 C17 118.0(10) . .
O14 C18 Eu2 97.0(8) . 3_556
O15 C18 Eu2 33.9(5) . 3_556
C17 C18 Eu2 147.3(8) . 3_556
N2 C19 H19A 109.5 . .
N2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
N2 C20 H20A 109.5 . .
N2 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
N2 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
O18 C21 N1 130.5(13) . .
N1 C22 H22A 109.5 . .
N1 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
N1 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
N1 C23 H23A 109.5 . .
N1 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
N1 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
O16 C24 O17 99.2(10) . .
O16 C24 C25 132.6(17) . .
O17 C24 C25 123.9(17) . .
O16 C24 C28 83.4(13) . 3_455
O17 C24 C28 166.7(14) . 3_455
C25 C24 C28 50.1(16) . 3_455
O16 C24 Eu2 40.1(6) . .
O17 C24 Eu2 59.7(6) . .
C25 C24 Eu2 155.8(13) . .
C28 C24 Eu2 120.1(11) 3_455 .
C28 C25 C24 75(2) 3_455 .
C28 C25 C26 146(3) 3_455 .
C24 C25 C26 138(3) . .
C28 C25 O19 51.4(16) 3_455 .
C24 C25 O19 126(2) . .
C26 C25 O19 95.5(19) . .
C25 C26 C27 108(3) . .
C25 C26 H26A 122.7 . .
C27 C26 H26A 128.9 . .
C28 C27 C26 108(2) . .
C28 C27 O19 35.3(13) . .
C26 C27 O19 73.3(16) . .
C28 C27 H27A 125.2 . .
C26 C27 H27A 126.7 . .
O19 C27 H27A 159.1 . .
O19 C28 C25 71.9(19) . 3_455
O19 C28 C27 104(2) . .
C25 C28 C27 168(3) 3_455 .
O19 C28 C24 127(2) . 3_455
C25 C28 C24 55.2(17) 3_455 3_455
C27 C28 C24 128(2) . 3_455
O19 C28 O16 168(2) . 3_455
C25 C28 O16 97.6(19) 3_455 3_455
C27 C28 O16 85.4(17) . 3_455
C24 C28 O16 42.9(8) 3_455 3_455
C21 N1 C22 129.2(13) . .
C21 N1 C23 115.5(13) . .
C22 N1 C23 114.8(13) . .
C20 N2 C19 113.2(8) . .
C20 N2 H2WA 108.9 . .
C19 N2 H2WA 108.9 . .
C20 N2 H2WB 108.9 . .
C19 N2 H2WB 108.9 . .
H2WA N2 H2WB 107.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O5 2.330(8) 4_666
Eu1 O11 2.355(7) .
Eu1 O14 2.355(8) 3_656
Eu1 O9 2.363(6) .
Eu1 O17 2.377(9) 1_655
Eu1 O2 2.429(7) 1_655
Eu1 O7 2.450(7) 4_666
Eu1 O6 2.596(7) 4_666
Eu1 C7 2.880(11) 4_666
Eu2 O10 2.246(8) .
Eu2 O12 2.292(8) .
Eu2 O15 2.294(9) 3_556
Eu2 O1 2.344(7) .
Eu2 O16 2.405(8) .
Eu2 O18 2.409(10) .
Eu2 O4 2.446(7) 4_666
Eu2 O17 2.822(9) .
Eu2 C18 3.233(13) 3_556
Eu2 C24 3.245(12) .
O1 C1 1.292(12) .
O2 C1 1.275(13) .
O2 Eu1 2.429(7) 1_455
O3 C5 1.347(13) .
O3 C2 1.360(11) .
O4 C6 1.252(12) .
O4 Eu2 2.446(7) 4_565
O5 C6 1.276(13) .
O5 Eu1 2.330(8) 4_565
O6 C7 1.244(12) .
O6 Eu1 2.596(7) 4_565
O7 C7 1.266(12) .
O7 Eu1 2.450(7) 4_565
O8 C11 1.344(13) .
O8 C8 1.369(11) .
O9 C12 1.265(13) .
O10 C12 1.262(14) .
O11 C13 1.260(14) .
O12 C13 1.281(15) .
O13 C17 1.350(13) .
O13 C14 1.376(14) .
O14 C18 1.257(14) .
O14 Eu1 2.355(8) 3_656
O15 C18 1.264(15) .
O15 Eu2 2.294(9) 3_556
O16 C24 1.292(16) .
O16 C28 1.89(3) 3_455
O17 C24 1.301(16) .
O17 Eu1 2.377(9) 1_455
O18 C21 1.220(16) .
O19 C28 1.14(2) 3_455
O19 C28 1.14(2) .
O19 C25 1.39(3) .
O19 C25 1.39(3) 3_455
O19 C27 1.92(3) .
O19 C27 1.92(3) 3_455
C1 C2 1.456(15) .
C2 C3 1.359(15) .
C3 C4 1.428(14) .
C3 H3A 0.9500 .
C4 C5 1.370(14) .
C4 H4A 0.9500 .
C5 C6 1.475(13) .
C7 C8 1.475(15) .
C7 Eu1 2.881(11) 4_565
C8 C9 1.307(15) .
C9 C10 1.458(14) .
C9 H9A 0.9500 .
C10 C11 1.353(15) .
C10 H10A 0.9500 .
C11 C12 1.514(13) .
C13 C14 1.454(16) .
C14 C15 1.333(17) .
C15 C16 1.405(16) .
C15 H15A 0.9500 .
C16 C17 1.333(18) .
C16 H16A 0.9500 .
C17 C18 1.516(17) .
C18 Eu2 3.233(13) 3_556
C19 N2 1.478(13) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 N2 1.467(14) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 N1 1.270(17) .
C22 N1 1.403(19) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 N1 1.48(2) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.30(3) .
C24 C28 1.53(3) 3_455
C25 C28 1.22(4) 3_455
C25 C26 1.34(4) .
C26 C27 1.40(3) .
C26 H26A 0.9601 .
C27 C28 1.30(4) .
C27 H27A 0.9599 .
C28 C25 1.22(4) 3_455
C28 C24 1.53(3) 3_455
C28 O16 1.89(3) 3_455
N2 H2WA 0.9100 .
N2 H2WB 0.9100 .
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 0.109 0.947 0.169 33 13 ' '
2 0.391 0.447 0.331 33 10 ' '
3 0.609 0.553 0.669 33 11 ' '
4 0.890 0.053 0.830 33 12 ' '
