#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:43:12 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229937 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/71/7047188.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_7047188
loop_
_publ_author_name
'Cheng, Yue'
'Zhang, Huimin'
'Yang, Bin'
'Wu, Jie'
'Wang, Yixiao'
'Ding, Bin'
'Huo, Jianzhong'
'Li, Yan'
_publ_section_title
;
 Highly efficient fluorescence sensing of phosphate by dual-emissive
 lanthanide MOFs.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12273
_journal_page_last               12283
_journal_paper_doi               10.1039/c8dt01515e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C22.95 H16.25 Eu N0.65 O8'
_chemical_formula_sum            'C22.95 H16.25 Eu N0.65 O8'
_chemical_formula_weight         581.09
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2017-12-19
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-06-15 deposited with the CCDC.
2018-07-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.249(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   33.0877(8)
_cell_length_b                   13.6008(4)
_cell_length_c                   14.1080(3)
_cell_measurement_reflns_used    6141
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      73.5590
_cell_measurement_theta_min      4.5630
_cell_volume                     6204.3(3)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0494
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.975
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12348
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.975
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.630
_diffrn_reflns_theta_min         4.568
_exptl_absorpt_coefficient_mu    14.779
_exptl_absorpt_correction_T_max  0.062
_exptl_absorpt_correction_T_min  0.01
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.32a (Rigaku Oxford Diffraction, 2017)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_description       block
_exptl_crystal_F_000             2284
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.426
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         6102
_refine_ls_number_restraints     82
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0399
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0597P)²+1.0603P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1019
_refine_ls_wR_factor_ref         0.1081
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5179
_reflns_number_total             6260
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01515e2.cif
_cod_data_source_block           a150413c_sq
_cod_depositor_comments          'Adding full bibliography for 7047188.cif.'
_cod_database_code               7047188
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Restrained distances
 N1-C22
 1.35 with sigma of 0.01
 N1-C24 = N1-C23
 1.5 with sigma of 0.01
 O8-C22
 1.25 with sigma of 0.01
 H8'A-O8'
 0.85 with sigma of 0.01
 O8'-H8'B
 0.85 with sigma of 0.01
 H8'A-H8'B
 1.37 with sigma of 0.001
 H8'B-O8'
 0.85 with sigma of 0.001
 C23-C22 \\sim C22-C24
 with sigma of 0.001
 H8'B-Eu1 \\sim Eu1-H8'A
 with sigma of 0.001
3. Uiso/Uaniso restraints and constraints
O8 \\sim N1 \\sim C22 \\sim C23 \\sim C24: within 2A with sigma of 0.005 and
sigma for terminal atoms of 0.01
Uanis(C20) \\sim Ueq, Uanis(C19) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O8') \\sim Ueq, Uanis(O8) \\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(N1)
\\sim Ueq, Uanis(C24) \\sim Ueq, Uanis(C23) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(O8) = Uanis(O8')
4. Others
 Fixed Sof: O8(0.65) N1(0.65) C22(0.65) H22(0.65) C23(0.65) H23A(0.65)
 H23B(0.65) H23C(0.65) C24(0.65) H24A(0.65) H24B(0.65) H24C(0.65) O8'(0.35)
 H8'A(0.35) H8'B(0.35)
5.a Riding coordinates:
 O7(H7A,H7B), O8'(H8'A,H8'B)
5.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C4(H4), C6(H6), C10(H10), C11(H11), C13(H13), C14(H14), C16(H16),
 C17(H17), C19(H19), C20(H20), C22(H22)
5.c Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.19143(2) 0.29244(2) 0.45255(2) 0.02868(9) Uani 1 1 d D . . . .
O1 O 0.20684(9) 0.2439(3) 0.61941(19) 0.0366(6) Uani 1 1 d . . . . .
O2 O 0.26707(9) 0.1641(3) 0.6604(2) 0.0417(7) Uani 1 1 d . . . . .
O3 O 0.28716(9) -0.0597(2) 0.9511(2) 0.0427(7) Uani 1 1 d . . . . .
O4 O 0.23248(8) -0.1490(2) 0.9586(2) 0.0346(6) Uani 1 1 d . . . . .
O5 O -0.13763(9) 0.1704(3) 1.0180(2) 0.0455(8) Uani 1 1 d . . . . .
O6 O -0.12523(11) 0.3276(3) 1.0054(3) 0.0538(9) Uani 1 1 d . . . . .
O7 O 0.15890(12) 0.4329(4) 0.3556(3) 0.0703(13) Uani 1 1 d . . . . .
C1 C 0.15595(11) 0.0827(3) 0.8164(3) 0.0298(8) Uani 1 1 d . . . . .
C2 C 0.17297(12) 0.1372(3) 0.7501(3) 0.0297(8) Uani 1 1 d . . . . .
H2 H 0.1566 0.1832 0.7108 0.036 Uiso 1 1 calc R . . . .
C3 C 0.21377(12) 0.1242(3) 0.7417(3) 0.0311(8) Uani 1 1 d . . . . .
C4 C 0.23841(11) 0.0561(3) 0.8016(3) 0.0327(8) Uani 1 1 d . . . . .
H4 H 0.2660 0.0484 0.7984 0.039 Uiso 1 1 calc R . . . .
C5 C 0.22200(12) 0.0001(3) 0.8653(3) 0.0322(8) Uani 1 1 d . . . . .
C6 C 0.18058(12) 0.0114(3) 0.8723(3) 0.0319(8) Uani 1 1 d . . . . .
H6 H 0.1696 -0.0283 0.9141 0.038 Uiso 1 1 calc R . . . .
C7 C 0.23040(12) 0.1821(3) 0.6680(3) 0.0331(9) Uani 1 1 d . . . . .
C8 C 0.24887(12) -0.0746(3) 0.9282(3) 0.0342(9) Uani 1 1 d . . . . .
C9 C 0.11337(11) 0.1022(3) 0.8304(3) 0.0292(8) Uani 1 1 d . . . . .
C10 C 0.09709(13) 0.1952(3) 0.8175(3) 0.0375(9) Uani 1 1 d . . . . .
H10 H 0.1121 0.2448 0.7952 0.045 Uiso 1 1 calc R . . . .
C11 C 0.05841(14) 0.2169(4) 0.8373(4) 0.0413(10) Uani 1 1 d . . . . .
H11 H 0.0480 0.2804 0.8275 0.050 Uiso 1 1 calc R . . . .
C12 C 0.03545(12) 0.1452(3) 0.8713(3) 0.0335(9) Uani 1 1 d . . . . .
C13 C 0.05138(12) 0.0503(3) 0.8803(3) 0.0343(9) Uani 1 1 d . . . . .
H13 H 0.0360 0.0001 0.9003 0.041 Uiso 1 1 calc R . . . .
C14 C 0.08975(12) 0.0286(4) 0.8601(3) 0.0367(9) Uani 1 1 d . . . . .
H14 H 0.0997 -0.0355 0.8666 0.044 Uiso 1 1 calc R . . . .
C15 C -0.00403(12) 0.1694(4) 0.9005(3) 0.0361(9) Uani 1 1 d . . . . .
C16 C -0.03442(13) 0.0990(4) 0.8996(3) 0.0394(10) Uani 1 1 d . . . . .
H16 H -0.0307 0.0359 0.8775 0.047 Uiso 1 1 calc R . . . .
C17 C -0.07063(13) 0.1218(4) 0.9314(3) 0.0413(10) Uani 1 1 d . . . . .
H17 H -0.0905 0.0734 0.9315 0.050 Uiso 1 1 calc R . . . .
C18 C -0.07702(13) 0.2153(4) 0.9625(4) 0.0415(10) Uani 1 1 d . . . . .
C19 C -0.04692(19) 0.2847(5) 0.9618(6) 0.0683(18) Uani 1 1 d . U . . .
H19 H -0.0508 0.3483 0.9826 0.082 Uiso 1 1 calc R . . . .
C20 C -0.01099(18) 0.2627(5) 0.9310(6) 0.0671(17) Uani 1 1 d . U . . .
H20 H 0.0087 0.3115 0.9309 0.081 Uiso 1 1 calc R . . . .
C21 C -0.11590(13) 0.2386(4) 0.9970(3) 0.0389(10) Uani 1 1 d . . . . .
O8 O 0.1559(5) 0.2191(8) 0.3021(10) 0.0582(14) Uani 0.65 1 d D U P A 1
N1 N 0.1467(2) 0.1461(7) 0.1544(5) 0.0778(18) Uani 0.65 1 d D U P A 1
C22 C 0.1699(3) 0.1895(8) 0.2325(6) 0.0716(18) Uani 0.65 1 d D U P A 1
H22 H 0.1980 0.1979 0.2346 0.086 Uiso 0.65 1 calc R . P A 1
C23 C 0.1025(2) 0.1429(10) 0.1371(8) 0.088(3) Uani 0.65 1 d D U P A 1
H23A H 0.0941 0.0874 0.1702 0.132 Uiso 0.65 1 calc GR . P A 1
H23B H 0.0914 0.1368 0.0687 0.132 Uiso 0.65 1 calc GR . P A 1
H23C H 0.0924 0.2023 0.1607 0.132 Uiso 0.65 1 calc GR . P A 1
C24 C 0.1671(4) 0.0893(8) 0.0885(6) 0.089(3) Uani 0.65 1 d D U P A 1
H24A H 0.1965 0.0950 0.1095 0.133 Uiso 0.65 1 calc GR . P A 1
H24B H 0.1587 0.1147 0.0238 0.133 Uiso 0.65 1 calc GR . P A 1
H24C H 0.1592 0.0215 0.0893 0.133 Uiso 0.65 1 calc GR . P A 1
O8' O 0.1572(10) 0.2342(15) 0.291(2) 0.0582(14) Uani 0.35 1 d D U P A 2
H8'A H 0.1364 0.1950 0.2794 0.087 Uiso 0.35 1 d DR . P A 2
H8'B H 0.1578 0.2629 0.2377 0.087 Uiso 0.35 1 d DR . P A 2
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'
Eu Eu -8.9294 11.1857 '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'
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
O1 Eu1 O3 72.78(12) . 4_556
O1 Eu1 O4 68.85(9) . 4_556
O1 Eu1 O5 70.65(11) . 2_556
O1 Eu1 O6 80.19(12) . 2_556
O1 Eu1 O7 137.54(14) . .
O1 Eu1 C8 68.18(11) . 4_556
O1 Eu1 C21 72.38(12) . 2_556
O1 Eu1 O8 135.5(2) . .
O1 Eu1 O8' 141.8(3) . .
O2 Eu1 O1 133.78(10) 7_556 .
O2 Eu1 O3 91.58(11) 7_556 4_556
O2 Eu1 O4 67.86(9) 7_556 4_556
O2 Eu1 O5 142.70(11) 7_556 2_556
O2 Eu1 O6 142.01(13) 7_556 2_556
O2 Eu1 O7 71.48(12) 7_556 .
O2 Eu1 C8 79.49(11) 7_556 4_556
O2 Eu1 C21 153.30(12) 7_556 2_556
O2 Eu1 O8 75.9(2) 7_556 .
O2 Eu1 O8' 71.1(3) 7_556 .
O3 Eu1 O4 50.53(9) 4_556 4_556
O3 Eu1 O5 125.36(10) 4_556 2_556
O3 Eu1 O7 73.24(15) 4_556 .
O3 Eu1 C8 24.98(11) 4_556 4_556
O3 Eu1 C21 103.86(12) 4_556 2_556
O3 Eu1 O8' 143.5(6) 4_556 .
O4 Eu1 O1 74.74(11) 6 .
O4 Eu1 O2 79.69(11) 6 7_556
O4 Eu1 O3 124.12(10) 6 4_556
O4 Eu1 O4 75.73(10) 6 4_556
O4 Eu1 O5 82.65(10) 6 2_556
O4 Eu1 O6 133.78(11) 6 2_556
O4 Eu1 O7 147.06(12) 6 .
O4 Eu1 C8 25.56(11) 4_556 4_556
O4 Eu1 C8 100.14(11) 6 4_556
O4 Eu1 C21 107.91(12) 6 2_556
O4 Eu1 C21 138.46(11) 4_556 2_556
O4 Eu1 O8 81.9(4) 6 .
O4 Eu1 O8' 85.2(8) 6 .
O5 Eu1 O4 137.76(11) 2_556 4_556
O5 Eu1 C8 136.21(11) 2_556 4_556
O5 Eu1 C21 26.08(13) 2_556 2_556
O6 Eu1 O3 82.68(12) 2_556 4_556
O6 Eu1 O4 129.12(12) 2_556 4_556
O6 Eu1 O5 52.32(11) 2_556 2_556
O6 Eu1 O7 70.91(13) 2_556 .
O6 Eu1 C8 105.68(13) 2_556 4_556
O6 Eu1 C21 26.31(14) 2_556 2_556
O6 Eu1 O8' 91.6(7) 2_556 .
O7 Eu1 O4 106.60(13) . 4_556
O7 Eu1 O5 111.12(14) . 2_556
O7 Eu1 C8 90.13(15) . 4_556
O7 Eu1 C21 92.02(14) . 2_556
C21 Eu1 C8 122.52(12) 2_556 4_556
O8 Eu1 O3 149.1(3) . 4_556
O8 Eu1 O4 140.1(3) . 4_556
O8 Eu1 O5 69.21(17) . 2_556
O8 Eu1 O6 90.0(4) . 2_556
O8 Eu1 O7 76.0(4) . .
O8 Eu1 C8 154.56(16) . 4_556
O8 Eu1 C21 79.8(3) . 2_556
O8' Eu1 O4 137.1(5) . 4_556
O8' Eu1 O5 74.85(13) . 2_556
O8' Eu1 O7 70.9(7) . .
O8' Eu1 C8 148.76(10) . 4_556
O8' Eu1 C21 83.8(4) . 2_556
C7 O1 Eu1 134.7(3) . .
C7 O2 Eu1 134.9(3) . 7_556
C8 O3 Eu1 99.7(3) . 4_546
Eu1 O4 Eu1 104.27(10) 6_556 4_546
C8 O4 Eu1 88.2(2) . 4_546
C8 O4 Eu1 158.5(3) . 6_556
C21 O5 Eu1 90.7(3) . 2_556
C21 O6 Eu1 94.9(3) . 2_556
C2 C1 C9 121.3(3) . .
C6 C1 C2 118.3(3) . .
C6 C1 C9 120.3(3) . .
C1 C2 H2 119.2 . .
C3 C2 C1 121.6(4) . .
C3 C2 H2 119.2 . .
C2 C3 C4 119.1(4) . .
C2 C3 C7 119.9(4) . .
C4 C3 C7 121.1(3) . .
C3 C4 H4 119.9 . .
C5 C4 C3 120.2(3) . .
C5 C4 H4 119.9 . .
C4 C5 C6 120.8(4) . .
C4 C5 C8 119.5(3) . .
C6 C5 C8 119.7(4) . .
C1 C6 C5 119.8(4) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
O1 C7 O2 125.7(4) . .
O1 C7 C3 117.2(4) . .
O2 C7 C3 117.2(4) . .
O3 C8 Eu1 55.4(2) . 4_546
O3 C8 O4 121.6(4) . .
O3 C8 C5 118.7(4) . .
O4 C8 Eu1 66.2(2) . 4_546
O4 C8 C5 119.8(4) . .
C5 C8 Eu1 174.0(3) . 4_546
C10 C9 C1 120.2(4) . .
C10 C9 C14 118.3(4) . .
C14 C9 C1 121.4(4) . .
C9 C10 H10 119.4 . .
C9 C10 C11 121.2(4) . .
C11 C10 H10 119.4 . .
C10 C11 H11 119.5 . .
C12 C11 C10 121.0(4) . .
C12 C11 H11 119.5 . .
C11 C12 C13 117.4(4) . .
C11 C12 C15 121.3(4) . .
C13 C12 C15 121.3(4) . .
C12 C13 H13 119.2 . .
C12 C13 C14 121.6(4) . .
C14 C13 H13 119.2 . .
C9 C14 C13 120.4(4) . .
C9 C14 H14 119.8 . .
C13 C14 H14 119.8 . .
C16 C15 C12 121.4(4) . .
C20 C15 C12 120.4(4) . .
C20 C15 C16 118.1(4) . .
C15 C16 H16 119.6 . .
C15 C16 C17 120.8(5) . .
C17 C16 H16 119.6 . .
C16 C17 H17 119.8 . .
C18 C17 C16 120.4(5) . .
C18 C17 H17 119.8 . .
C17 C18 C21 119.9(4) . .
C19 C18 C17 118.2(4) . .
C19 C18 C21 121.9(5) . .
C18 C19 H19 119.1 . .
C18 C19 C20 121.7(5) . .
C20 C19 H19 119.1 . .
C15 C20 C19 120.7(5) . .
C15 C20 H20 119.6 . .
C19 C20 H20 119.6 . .
O5 C21 Eu1 63.2(2) . 2_556
O5 C21 O6 121.8(4) . .
O5 C21 C18 119.8(4) . .
O6 C21 Eu1 58.8(2) . 2_556
O6 C21 C18 118.5(4) . .
C18 C21 Eu1 175.0(3) . 2_556
C22 O8 Eu1 129.6(11) . .
C22 N1 C23 122.7(6) . .
C22 N1 C24 119.3(6) . .
C23 N1 C24 117.6(8) . .
O8 C22 N1 123.3(10) . .
O8 C22 H22 118.3 . .
N1 C22 H22 118.3 . .
N1 C23 H23A 109.5 . .
N1 C23 H23B 109.5 . .
N1 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N1 C24 H24A 109.5 . .
N1 C24 H24B 109.5 . .
N1 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Eu1 O8' H8'A 124.8 . .
Eu1 O8' H8'B 125.4 . .
H8'A O8' H8'B 106.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O1 2.393(3) .
Eu1 O2 2.388(3) 7_556
Eu1 O3 2.447(3) 4_556
Eu1 O4 2.684(3) 4_556
Eu1 O4 2.368(3) 6
Eu1 O5 2.531(3) 2_556
Eu1 O6 2.435(3) 2_556
Eu1 O7 2.461(4) .
Eu1 C8 2.932(4) 4_556
Eu1 C21 2.836(4) 2_556
Eu1 O8 2.413(15) .
Eu1 O8' 2.45(3) .
O1 C7 1.248(6) .
O2 Eu1 2.388(3) 7_556
O2 C7 1.265(5) .
O3 Eu1 2.447(3) 4_546
O3 C8 1.256(5) .
O4 Eu1 2.684(3) 4_546
O4 Eu1 2.368(3) 6_556
O4 C8 1.266(5) .
O5 Eu1 2.531(3) 2_556
O5 C21 1.247(6) .
O6 Eu1 2.435(3) 2_556
O6 C21 1.261(6) .
C1 C2 1.401(5) .
C1 C6 1.398(6) .
C1 C9 1.488(5) .
C2 H2 0.9300 .
C2 C3 1.391(5) .
C3 C4 1.394(6) .
C3 C7 1.500(5) .
C4 H4 0.9300 .
C4 C5 1.375(6) .
C5 C6 1.403(5) .
C5 C8 1.508(6) .
C6 H6 0.9300 .
C8 Eu1 2.932(4) 4_546
C9 C10 1.372(6) .
C9 C14 1.388(6) .
C10 H10 0.9300 .
C10 C11 1.398(6) .
C11 H11 0.9300 .
C11 C12 1.383(6) .
C12 C13 1.390(6) .
C12 C15 1.488(5) .
C13 H13 0.9300 .
C13 C14 1.390(5) .
C14 H14 0.9300 .
C15 C16 1.387(7) .
C15 C20 1.374(8) .
C16 H16 0.9300 .
C16 C17 1.400(6) .
C17 H17 0.9300 .
C17 C18 1.376(7) .
C18 C19 1.374(8) .
C18 C21 1.503(5) .
C19 H19 0.9300 .
C19 C20 1.382(7) .
C20 H20 0.9300 .
C21 Eu1 2.836(4) 2_556
O8 C22 1.238(9) .
N1 C22 1.340(8) .
N1 C23 1.430(8) .
N1 C24 1.476(8) .
C22 H22 0.9300 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
O8' H8'A 0.8581 .
O8' H8'B 0.8504 .
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
Eu1 O1 C7 O2 41.6(7) . .
Eu1 O1 C7 C3 -138.4(3) . .
Eu1 O2 C7 O1 -11.1(7) 7_556 .
Eu1 O2 C7 C3 168.9(3) 7_556 .
Eu1 O3 C8 O4 2.5(4) 4_546 .
Eu1 O3 C8 C5 -179.3(3) 4_546 .
Eu1 O4 C8 Eu1 -126.4(7) 6_556 4_546
Eu1 O4 C8 O3 -128.7(6) 6_556 .
Eu1 O4 C8 O3 -2.3(4) 4_546 .
Eu1 O4 C8 C5 179.6(3) 4_546 .
Eu1 O4 C8 C5 53.2(9) 6_556 .
Eu1 O5 C21 O6 5.7(5) 2_556 .
Eu1 O5 C21 C18 -175.5(4) 2_556 .
Eu1 O6 C21 O5 -5.9(5) 2_556 .
Eu1 O6 C21 C18 175.2(4) 2_556 .
Eu1 O8 C22 N1 177.0(8) . .
C1 C2 C3 C4 -0.7(6) . .
C1 C2 C3 C7 178.3(4) . .
C1 C9 C10 C11 -175.1(4) . .
C1 C9 C14 C13 174.8(4) . .
C2 C1 C6 C5 3.7(6) . .
C2 C1 C9 C10 -30.5(6) . .
C2 C1 C9 C14 152.0(4) . .
C2 C3 C4 C5 2.4(6) . .
C2 C3 C7 O1 3.2(6) . .
C2 C3 C7 O2 -176.8(4) . .
C3 C4 C5 C6 -1.0(6) . .
C3 C4 C5 C8 178.9(4) . .
C4 C3 C7 O1 -177.7(4) . .
C4 C3 C7 O2 2.2(6) . .
C4 C5 C6 C1 -2.1(6) . .
C4 C5 C8 O3 28.1(6) . .
C4 C5 C8 O4 -153.7(4) . .
C6 C1 C2 C3 -2.3(6) . .
C6 C1 C9 C10 147.0(4) . .
C6 C1 C9 C14 -30.5(6) . .
C6 C5 C8 O3 -152.0(4) . .
C6 C5 C8 O4 26.1(6) . .
C7 C3 C4 C5 -176.7(4) . .
C8 C5 C6 C1 178.0(4) . .
C9 C1 C2 C3 175.2(4) . .
C9 C1 C6 C5 -173.9(4) . .
C9 C10 C11 C12 0.5(7) . .
C10 C9 C14 C13 -2.8(6) . .
C10 C11 C12 C13 -3.1(7) . .
C10 C11 C12 C15 174.7(4) . .
C11 C12 C13 C14 2.8(6) . .
C11 C12 C15 C16 155.5(4) . .
C11 C12 C15 C20 -25.7(7) . .
C12 C13 C14 C9 0.1(7) . .
C12 C15 C16 C17 177.1(4) . .
C12 C15 C20 C19 -177.5(6) . .
C13 C12 C15 C16 -26.7(6) . .
C13 C12 C15 C20 152.1(6) . .
C14 C9 C10 C11 2.5(7) . .
C15 C12 C13 C14 -175.1(4) . .
C15 C16 C17 C18 1.3(7) . .
C16 C15 C20 C19 1.4(10) . .
C16 C17 C18 C19 -0.4(8) . .
C16 C17 C18 C21 -179.6(4) . .
C17 C18 C19 C20 0.0(11) . .
C17 C18 C21 O5 16.0(7) . .
C17 C18 C21 O6 -165.2(5) . .
C18 C19 C20 C15 -0.5(12) . .
C19 C18 C21 O5 -163.3(6) . .
C19 C18 C21 O6 15.6(8) . .
C20 C15 C16 C17 -1.8(7) . .
C21 C18 C19 C20 179.2(7) . .
C23 N1 C22 O8 9.7(19) . .
C24 N1 C22 O8 -163.2(12) . .
