#------------------------------------------------------------------------------
#$Date: 2022-06-08 05:12:00 +0300 (Wed, 08 Jun 2022) $
#$Revision: 275901 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/26/2022619.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2022619
loop_
_publ_author_name
'Zhou, Juan'
'Zhang, Xinlei'
'Zi, Wenwen'
'Zhou, Lian'
_publ_section_title
;
 Two-dimensional rare-earth-metal coordination polymers based on
 biphenyl-3,3',5,5'-tetracarboxylic acid displaying luminescence
;
_journal_coeditor_code           OC3015
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229622005678
_journal_volume                  78
_journal_year                    2022
_chemical_formula_iupac
'[Eu4 (C16 H6 O8)2 (C2 H3 O2)4 (C4 H9 N O)4], 2C4 H9 N O, 2H2 O'
_chemical_formula_moiety         'C56 H60 Eu4 N4 O28, 2(C4 H9 N O), 2(H2 O)'
_chemical_formula_sum            'C64 H82 Eu4 N6 O32'
_chemical_formula_weight         2055.20
_chemical_name_systematic
;Poly[[tetra-μ₂-acetato-bis(μ₆-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)] dimethylacetamide disolvate
dihydrate]
;
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 94.131(4)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.3197(4)
_cell_length_b                   17.6285(6)
_cell_length_c                   11.2707(4)
_cell_measurement_reflns_used    2968
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.1478
_cell_measurement_theta_min      3.1542
_cell_volume                     1846.88(12)
_computing_cell_refinement
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_collection
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_data_reduction
;
CrysAlis PRO (Rigaku OD, 2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al., 2009)
;
_computing_structure_refinement
;
SHELXL2018 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IP'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0579
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            9134
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.956
_diffrn_reflns_theta_min         3.586
_exptl_absorpt_coefficient_mu    3.441
_exptl_absorpt_correction_T_max  0.854
_exptl_absorpt_correction_T_min  0.426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Rigaku OD, 2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.848
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.902
_refine_diff_density_min         -0.874
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         4272
_refine_ls_number_restraints     625
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0694
_refine_ls_R_factor_gt           0.0469
_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)+(0.0314P)²+6.1561P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.1045
_reflns_number_gt                3254
_reflns_number_total             4272
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            oc3015sup1.cif
_cod_data_source_block           bptceu
_cod_database_code               2022619
_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   0.480
_shelx_estimated_absorpt_t_max   0.644
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu Eu1 0.48218(3) 0.10133(2) 0.06942(3) 0.03170(12) Uani d 1 . .
O O1 0.4383(6) 0.2377(2) 0.0153(4) 0.0534(15) Uani d 1 . .
O O2 0.5840(5) 0.2127(2) 0.1712(4) 0.0435(12) Uani d 1 . .
O O3 0.8278(6) 0.5341(2) 0.3253(4) 0.0534(15) Uani d 1 . .
O O4 0.8362(5) 0.4138(2) 0.3911(4) 0.0485(13) Uani d 1 . .
O O5 0.6724(12) 0.1379(7) -0.0610(11) 0.056(3) Uani d 0.65(2) A 1
O O6 0.615(2) 0.0197(8) -0.078(2) 0.041(2) Uani d 0.65(2) A 1
O O7 0.2881(11) 0.1249(6) 0.1708(10) 0.089(3) Uani d 0.704(10) A 1
O O8 0.4570(15) 0.0816(7) 0.2892(10) 0.089(4) Uani d 0.5 B -1
N N1 0.0736(10) 0.1864(5) 0.1806(10) 0.095(3) Uani d 0.704(10) A 1
C C1 0.5248(8) 0.2588(3) 0.0994(6) 0.0386(16) Uani d 1 . .
C C2 0.5584(7) 0.3414(3) 0.1137(5) 0.0322(14) Uani d 1 . .
C C3 0.4983(7) 0.3951(3) 0.0337(5) 0.0369(15) Uani d 1 . .
H H3 0.433845 0.379160 -0.028145 0.044 Uiso calc 1 . .
C C4 0.5321(7) 0.4717(3) 0.0440(5) 0.0330(14) Uani d 1 . .
C C5 0.6294(7) 0.4934(3) 0.1372(5) 0.0381(16) Uani d 1 . .
H H5 0.655733 0.544127 0.145124 0.046 Uiso calc 1 . .
C C6 0.6881(7) 0.4409(3) 0.2183(5) 0.0325(14) Uani d 1 . .
C C7 0.6521(7) 0.3654(3) 0.2071(5) 0.0311(14) Uani d 1 . .
H H7 0.690677 0.330470 0.262381 0.037 Uiso calc 1 . .
C C8 0.7926(7) 0.4650(3) 0.3203(5) 0.0397(17) Uani d 1 . .
C C9 0.6989(14) 0.0719(8) -0.0964(10) 0.053(2) Uani d 0.65(2) A 1
C C10 0.834(2) 0.0526(11) -0.1631(18) 0.080(4) Uani d 0.65(2) A 1
H H10A 0.887022 0.098204 -0.176179 0.121 Uiso d 0.65(2) A 1
H H10B 0.805292 0.029564 -0.238279 0.121 Uiso d 0.65(2) A 1
H H10C 0.893532 0.018024 -0.115869 0.121 Uiso d 0.65(2) A 1
C C11 0.2174(12) 0.1659(5) 0.2292(10) 0.098(3) Uani d 0.704(10) A 1
C C12 0.2595(16) 0.1991(9) 0.3474(12) 0.120(5) Uani d 0.704(10) A 1
H H12A 0.237935 0.163860 0.408609 0.179 Uiso d 0.704(10) A 1
H H12B 0.207055 0.245280 0.356949 0.179 Uiso d 0.704(10) A 1
H H12C 0.360795 0.209680 0.353139 0.179 Uiso d 0.704(10) A 1
C C13 -0.0330(17) 0.2344(8) 0.2316(16) 0.113(5) Uani d 0.704(10) A 1
H H13A -0.102866 0.203268 0.266974 0.170 Uiso d 0.704(10) A 1
H H13B -0.080106 0.265028 0.170024 0.170 Uiso d 0.704(10) A 1
H H13C 0.013574 0.266638 0.291244 0.170 Uiso d 0.704(10) A 1
C C14 0.048(2) 0.1490(9) 0.0631(12) 0.129(5) Uani d 0.704(10) A 1
H H14A 0.135538 0.148955 0.022809 0.194 Uiso d 0.704(10) A 1
H H14B -0.025092 0.176015 0.016269 0.194 Uiso d 0.704(10) A 1
H H14C 0.017518 0.097635 0.074359 0.194 Uiso d 0.704(10) A 1
C C15 0.563(3) 0.1540(10) 0.446(2) 0.153(9) Uani d 0.5 B -1
H H15A 0.572169 0.191818 0.385707 0.230 Uiso d 0.5 B -1
H H15B 0.655189 0.145208 0.487287 0.230 Uiso d 0.5 B -1
H H15C 0.496549 0.171368 0.501347 0.230 Uiso d 0.5 B -1
O O5A 0.7020(19) 0.1326(15) -0.0344(19) 0.053(3) Uani d 0.35(2) A 2
O O6A 0.606(5) 0.0237(18) -0.084(4) 0.046(3) Uani d 0.35(2) A 2
C C9A 0.678(3) 0.0796(18) -0.105(2) 0.054(3) Uani d 0.35(2) A 2
C C10A 0.771(4) 0.0784(17) -0.218(3) 0.065(5) Uani d 0.35(2) A 2
H H10D 0.722528 0.105498 -0.282689 0.097 Uiso d 0.35(2) A 2
H H10E 0.785968 0.026818 -0.240649 0.097 Uiso d 0.35(2) A 2
H H10F 0.861918 0.102028 -0.196279 0.097 Uiso d 0.35(2) A 2
O O7A 0.243(2) 0.1370(14) 0.111(2) 0.090(4) Uani d 0.296(10) A 2
N N1A 0.003(2) 0.1584(13) 0.125(2) 0.114(4) Uani d 0.296(10) A 2
C C11A 0.157(2) 0.1734(10) 0.1632(17) 0.100(3) Uani d 0.296(10) A 2
C C12A 0.177(3) 0.2313(16) 0.260(3) 0.110(5) Uani d 0.296(10) A 2
H H12D 0.151006 0.209772 0.333374 0.164 Uiso d 0.296(10) A 2
H H12E 0.116756 0.274352 0.239964 0.164 Uiso d 0.296(10) A 2
H H12F 0.275736 0.247012 0.267524 0.164 Uiso d 0.296(10) A 2
C C13A -0.100(3) 0.2039(19) 0.190(3) 0.109(6) Uani d 0.296(10) A 2
H H13D -0.070390 0.204065 0.273372 0.163 Uiso d 0.296(10) A 2
H H13E -0.194150 0.182205 0.177902 0.163 Uiso d 0.296(10) A 2
H H13F -0.101330 0.254975 0.160362 0.163 Uiso d 0.296(10) A 2
C C14A -0.019(3) 0.1012(19) 0.030(3) 0.137(8) Uani d 0.296(10) A 2
H H14D 0.025800 0.118450 -0.039916 0.206 Uiso d 0.296(10) A 2
H H14E -0.119630 0.093880 0.010484 0.206 Uiso d 0.296(10) A 2
H H14F 0.024390 0.054060 0.055944 0.206 Uiso d 0.296(10) A 2
C C18 0.471(3) -0.0572(10) 0.410(2) 0.165(9) Uani d 0.5 B -1
H H18A 0.367760 -0.055730 0.395540 0.248 Uiso d 0.5 B -1
H H18B 0.496730 -0.097110 0.465240 0.248 Uiso d 0.5 B -1
H H18C 0.513650 -0.066370 0.336470 0.248 Uiso d 0.5 B -1
C C16 0.5093(13) 0.0832(9) 0.3898(12) 0.134(6) Uani d 0.5 B -1
N N2 0.5210(16) 0.0147(9) 0.4593(13) 0.144(6) Uani d 0.5 B -1
C C17 0.584(2) 0.0167(15) 0.5808(15) 0.158(9) Uani d 0.5 B -1
H H17A 0.511585 0.006131 0.634684 0.237 Uiso d 0.5 B -1
H H17B 0.624285 0.066051 0.597535 0.237 Uiso d 0.5 B -1
H H17C 0.658885 -0.020779 0.590415 0.237 Uiso d 0.5 B -1
O O9 0.6694(16) 0.1951(9) 0.4266(12) 0.106(5) Uani d 0.5 C 3
H H9A 0.604109 0.222894 0.392659 0.159 Uiso d 0.5 C 3
H H9B 0.704209 0.171004 0.370009 0.159 Uiso d 0.5 C 3
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'
Eu Eu -0.1578 3.6682 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Eu1 O6 . . 117.2(5) ?
O1 Eu1 O6A . . 115.2(11) ?
O2 Eu1 O1 . . 52.55(13) ?
O2 Eu1 O5 . . 78.3(3) ?
O2 Eu1 O6 . . 124.5(4) ?
O2 Eu1 O5A . . 74.7(6) ?
O2 Eu1 O6A . . 125.1(7) ?
O3 Eu1 O1 2_645 . 134.63(15) ?
O3 Eu1 O2 2_645 . 85.15(14) ?
O3 Eu1 O5 2_645 . 83.4(4) ?
O3 Eu1 O6 2_645 . 70.7(7) ?
O3 Eu1 O5A 2_645 . 74.7(6) ?
O3 Eu1 O6A 2_645 . 73.3(15) ?
O3 Eu1 O7A 2_645 . 134.7(6) ?
O4 Eu1 O1 4_565 . 80.04(14) ?
O4 Eu1 O2 4_565 . 132.41(14) ?
O4 Eu1 O3 4_565 2_645 137.08(15) ?
O4 Eu1 O5 4_565 . 85.3(3) ?
O4 Eu1 O6 4_565 . 70.2(7) ?
O4 Eu1 O5A 4_565 . 93.9(6) ?
O4 Eu1 O6A 4_565 3_655 76.7(15) ?
O4 Eu1 O6A 4_565 . 67.8(14) ?
O4 Eu1 O7A 4_565 . 73.2(6) ?
O5 Eu1 O1 . . 73.5(3) ?
O5 Eu1 O6 . . 50.6(2) ?
O6 Eu1 O1 3_655 . 146.6(7) ?
O6 Eu1 O2 3_655 . 149.6(6) ?
O6 Eu1 O3 3_655 2_645 78.4(8) ?
O6 Eu1 O4 3_655 4_565 74.3(8) ?
O6 Eu1 O5 3_655 . 124.2(4) ?
O6 Eu1 O6 3_655 . 73.6(4) ?
O6 Eu1 O6A 3_655 3_655 3(2) ?
O7 Eu1 O1 . . 79.8(3) ?
O7 Eu1 O2 . . 84.9(3) ?
O7 Eu1 O3 . 2_645 115.9(3) ?
O7 Eu1 O4 . 4_565 91.1(3) ?
O7 Eu1 O5 . . 153.3(4) ?
O7 Eu1 O6 . 3_655 79.7(4) ?
O7 Eu1 O6 . . 150.6(5) ?
O7 Eu1 O6A . 3_655 81.0(5) ?
O5A Eu1 O1 . . 78.4(7) ?
O5A Eu1 O6A . . 51.2(3) ?
O6A Eu1 O1 3_655 . 149.4(15) ?
O6A Eu1 O2 3_655 . 147.9(13) ?
O6A Eu1 O5A 3_655 . 122.6(9) ?
O6A Eu1 O6A 3_655 . 73.7(9) ?
O6A Eu1 O7A 3_655 . 84.3(11) ?
O7A Eu1 O1 . . 70.0(6) ?
O7A Eu1 O2 . . 91.8(6) ?
O7A Eu1 O5A . . 147.3(9) ?
O7A Eu1 O6A . . 138.5(13) ?
C1 O1 Eu1 . . 90.9(3) ?
C1 O2 Eu1 . . 94.7(3) ?
C8 O3 Eu1 . 2_655 133.3(4) ?
C8 O4 Eu1 . 4_666 139.9(4) ?
C9 O5 Eu1 . . 96.5(6) ?
Eu1 O6 Eu1 3_655 . 106.4(4) ?
C9 O6 Eu1 . . 91.9(5) ?
C9 O6 Eu1 . 3_655 160.7(10) ?
C11 O7 Eu1 . . 151.7(7) ?
C11 N1 C14 . . 108.0(11) ?
C13 N1 C11 . . 129.2(11) ?
C13 N1 C14 . . 122.8(13) ?
O1 C1 C2 . . 119.2(5) ?
O2 C1 O1 . . 121.7(5) ?
O2 C1 C2 . . 119.1(5) ?
C3 C2 C1 . . 121.3(5) ?
C7 C2 C1 . . 119.7(5) ?
C7 C2 C3 . . 119.1(5) ?
C2 C3 H3 . . 119.1 ?
C4 C3 C2 . . 121.8(5) ?
C4 C3 H3 . . 119.1 ?
C3 C4 C4 . 3_665 120.8(6) ?
C5 C4 C3 . . 117.5(5) ?
C5 C4 C4 . 3_665 121.6(7) ?
C4 C5 H5 . . 119.3 ?
C6 C5 C4 . . 121.3(5) ?
C6 C5 H5 . . 119.3 ?
C5 C6 C8 . . 121.0(5) ?
C7 C6 C5 . . 120.2(5) ?
C7 C6 C8 . . 118.8(5) ?
C2 C7 H7 . . 119.9 ?
C6 C7 C2 . . 120.1(5) ?
C6 C7 H7 . . 119.9 ?
O3 C8 C6 . . 117.2(5) ?
O4 C8 O3 . . 126.6(5) ?
O4 C8 C6 . . 116.3(5) ?
O5 C9 C10 . . 122.7(13) ?
O6 C9 O5 . . 119.5(9) ?
O6 C9 C10 . . 117.8(12) ?
C9 C10 H10A . . 109.6 ?
C9 C10 H10B . . 109.7 ?
C9 C10 H10C . . 109.1 ?
H10A C10 H10B . . 109.5 ?
H10A C10 H10C . . 109.5 ?
H10B C10 H10C . . 109.5 ?
O7 C11 N1 . . 117.9(9) ?
O7 C11 C12 . . 127.5(11) ?
N1 C11 C12 . . 114.7(8) ?
C11 C12 H12A . . 109.6 ?
C11 C12 H12B . . 109.4 ?
C11 C12 H12C . . 109.4 ?
H12A C12 H12B . . 109.5 ?
H12A C12 H12C . . 109.5 ?
H12B C12 H12C . . 109.5 ?
N1 C13 H13A . . 109.6 ?
N1 C13 H13B . . 109.4 ?
N1 C13 H13C . . 109.5 ?
H13A C13 H13B . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
N1 C14 H14A . . 109.7 ?
N1 C14 H14B . . 109.4 ?
N1 C14 H14C . . 109.4 ?
H14A C14 H14B . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
H15A C15 H15B . . 109.5 ?
H15A C15 H15C . . 109.5 ?
H15B C15 H15C . . 109.5 ?
C16 C15 H15A . . 109.2 ?
C16 C15 H15B . . 109.7 ?
C16 C15 H15C . . 109.5 ?
C9A O5A Eu1 . . 90.8(6) ?
Eu1 O6A Eu1 3_655 . 106.3(9) ?
C9A O6A Eu1 . . 88.8(6) ?
O5A C9A C10A . . 116(2) ?
O6A C9A O5A . . 124.2(11) ?
O6A C9A C10A . . 119(2) ?
C9A C10A H10D . . 110.7 ?
C9A C10A H10E . . 109.2 ?
C9A C10A H10F . . 108.6 ?
H10D C10A H10E . . 109.5 ?
H10D C10A H10F . . 109.5 ?
H10E C10A H10F . . 109.5 ?
C11A O7A Eu1 . . 153.4(15) ?
C13A N1A C11A . . 113.9(10) ?
C14A N1A C11A . . 114.1(10) ?
C14A N1A C13A . . 132.0(15) ?
O7A C11A N1A . . 115.3(11) ?
O7A C11A C12A . . 131.3(16) ?
N1A C11A C12A . . 113.5(10) ?
C11A C12A H12D . . 109.5 ?
C11A C12A H12E . . 109.4 ?
C11A C12A H12F . . 109.5 ?
H12D C12A H12E . . 109.5 ?
H12D C12A H12F . . 109.5 ?
H12E C12A H12F . . 109.5 ?
N1A C13A H13D . . 109.6 ?
N1A C13A H13E . . 109.5 ?
N1A C13A H13F . . 109.3 ?
H13D C13A H13E . . 109.5 ?
H13D C13A H13F . . 109.5 ?
H13E C13A H13F . . 109.5 ?
N1A C14A H14D . . 109.5 ?
N1A C14A H14E . . 109.5 ?
N1A C14A H14F . . 109.4 ?
H14D C14A H14E . . 109.5 ?
H14D C14A H14F . . 109.5 ?
H14E C14A H14F . . 109.5 ?
H18A C18 H18B . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
N2 C18 H18A . . 109.5 ?
N2 C18 H18B . . 109.3 ?
N2 C18 H18C . . 109.5 ?
O8 C16 C15 . . 121.9(14) ?
O8 C16 N2 . . 120.2(11) ?
N2 C16 C15 . . 117.9(10) ?
C18 N2 C17 . . 118.8(14) ?
C16 N2 C18 . . 121.0(10) ?
C16 N2 C17 . . 120.2(10) ?
N2 C17 H17A . . 109.6 ?
N2 C17 H17B . . 109.5 ?
N2 C17 H17C . . 109.4 ?
H17A C17 H17B . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
H9A O9 H9B . . 104.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Eu1 O1 . 2.506(4) ?
Eu1 O2 . 2.431(4) ?
Eu1 O3 2_645 2.376(4) ?
Eu1 O4 4_565 2.359(4) ?
Eu1 O5 . 2.469(7) ?
Eu1 O6 3_655 2.320(13) ?
Eu1 O6 . 2.577(7) ?
Eu1 O7 . 2.247(8) ?
Eu1 O5A . 2.493(9) ?
Eu1 O6A . 2.540(9) ?
Eu1 O6A 3_655 2.36(3) ?
Eu1 O7A . 2.393(19) ?
O1 C1 . 1.256(7) ?
O2 C1 . 1.248(7) ?
O3 C8 . 1.262(7) ?
O4 C8 . 1.253(7) ?
O5 C9 . 1.260(9) ?
O6 C9 . 1.239(8) ?
O7 C11 . 1.204(8) ?
O8 C16 . 1.201(9) ?
N1 C11 . 1.456(9) ?
N1 C13 . 1.455(9) ?
N1 C14 . 1.483(9) ?
C1 C2 . 1.496(8) ?
C2 C3 . 1.396(8) ?
C2 C7 . 1.385(7) ?
C3 H3 . 0.9300 ?
C3 C4 . 1.390(8) ?
C4 C4 3_665 1.500(11) ?
C4 C5 . 1.390(7) ?
C5 H5 . 0.9300 ?
C5 C6 . 1.386(8) ?
C6 C7 . 1.375(8) ?
C6 C8 . 1.513(7) ?
C7 H7 . 0.9300 ?
C9 C10 . 1.551(17) ?
C10 H10A . 0.9599 ?
C10 H10B . 0.9601 ?
C10 H10C . 0.9599 ?
C11 C12 . 1.481(9) ?
C12 H12A . 0.9600 ?
C12 H12B . 0.9600 ?
C12 H12C . 0.9600 ?
C13 H13A . 0.9599 ?
C13 H13B . 0.9602 ?
C13 H13C . 0.9601 ?
C14 H14A . 0.9601 ?
C14 H14B . 0.9601 ?
C14 H14C . 0.9600 ?
C15 H15A . 0.9599 ?
C15 H15B . 0.9599 ?
C15 H15C . 0.9601 ?
C15 C16 . 1.472(9) ?
O5A C9A . 1.235(9) ?
O6A C9A . 1.225(9) ?
C9A C10A . 1.59(3) ?
C10A H10D . 0.9599 ?
C10A H10E . 0.9599 ?
C10A H10F . 0.9601 ?
O7A C11A . 1.213(10) ?
N1A C11A . 1.490(9) ?
N1A C13A . 1.481(10) ?
N1A C14A . 1.480(10) ?
C11A C12A . 1.493(10) ?
C12A H12D . 0.9599 ?
C12A H12E . 0.9602 ?
C12A H12F . 0.9600 ?
C13A H13D . 0.9601 ?
C13A H13E . 0.9598 ?
C13A H13F . 0.9601 ?
C14A H14D . 0.9601 ?
C14A H14E . 0.9600 ?
C14A H14F . 0.9601 ?
C18 H18A . 0.9601 ?
C18 H18B . 0.9601 ?
C18 H18C . 0.9598 ?
C18 N2 . 1.449(10) ?
C16 N2 . 1.439(9) ?
N2 C17 . 1.451(10) ?
C17 H17A . 0.9599 ?
C17 H17B . 0.9600 ?
C17 H17C . 0.9599 ?
O9 H9A . 0.8500 ?
O9 H9B . 0.8502 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C12 H12B O5 4_566 0.96 2.29 3.179(19) 153.6 yes
C15 H15A O2 . 0.96 2.46 3.28(2) 144.4 yes
C13A H13E O2 1_455 0.96 2.13 2.94(3) 141.4 yes
C14A H14E O5A 1_455 0.96 1.83 2.71(4) 150.1 yes
O9 H9A O2 . 0.85 2.50 2.947(13) 114.1 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Eu1 O1 C1 O2 . . . . -3.9(8) ?
Eu1 O1 C1 C2 . . . . 175.9(6) ?
Eu1 O2 C1 O1 . . . . 4.0(8) ?
Eu1 O2 C1 C2 . . . . -175.8(6) ?
Eu1 O3 C8 O4 2_655 . . . 15.6(13) ?
Eu1 O3 C8 C6 2_655 . . . -164.0(5) ?
Eu1 O4 C8 O3 4_666 . . . 4.0(14) ?
Eu1 O4 C8 C6 4_666 . . . -176.5(5) ?
Eu1 O5 C9 O6 . . . . 13.2(11) ?
Eu1 O5 C9 C10 . . . . -166.8(11) ?
Eu1 O6 C9 O5 3_655 . . . -174(5) ?
Eu1 O6 C9 O5 . . . . -12.5(10) ?
Eu1 O6 C9 C10 3_655 . . . 6(5) ?
Eu1 O6 C9 C10 . . . . 167.4(10) ?
Eu1 O7 C11 N1 . . . . 117.8(18) ?
Eu1 O7 C11 C12 . . . . -62.2(18) ?
Eu1 O5A C9A O6A . . . . -24(3) ?
Eu1 O5A C9A C10A . . . . 168(2) ?
Eu1 O6A C9A O5A . . . . 23(3) ?
Eu1 O6A C9A O5A 3_655 . . . -139(13) ?
Eu1 O6A C9A C10A 3_655 . . . 29(15) ?
Eu1 O6A C9A C10A . . . . -169(3) ?
Eu1 O7A C11A N1A . . . . 178(3) ?
Eu1 O7A C11A C12A . . . . -2(3) ?
O1 C1 C2 C3 . . . . -1.7(11) ?
O1 C1 C2 C7 . . . . 179.1(7) ?
O2 C1 C2 C3 . . . . 178.1(7) ?
O2 C1 C2 C7 . . . . -1.1(11) ?
O8 C16 N2 C18 . . . . 0.0(3) ?
O8 C16 N2 C17 . . . . 179.9(3) ?
C1 C2 C3 C4 . . . . -178.0(7) ?
C1 C2 C7 C6 . . . . 177.4(6) ?
C2 C3 C4 C4 . . . 3_665 179.1(8) ?
C2 C3 C4 C5 . . . . 0.4(11) ?
C3 C2 C7 C6 . . . . -1.9(10) ?
C3 C4 C5 C6 . . . . -1.5(11) ?
C4 C4 C5 C6 3_665 . . . 179.9(8) ?
C4 C5 C6 C7 . . . . 0.9(11) ?
C4 C5 C6 C8 . . . . -179.3(7) ?
C5 C6 C7 C2 . . . . 0.8(11) ?
C5 C6 C8 O3 . . . . -2.6(11) ?
C5 C6 C8 O4 . . . . 177.8(7) ?
C7 C2 C3 C4 . . . . 1.3(11) ?
C7 C6 C8 O3 . . . . 177.3(7) ?
C7 C6 C8 O4 . . . . -2.3(10) ?
C8 C6 C7 C2 . . . . -179.0(6) ?
C13 N1 C11 O7 . . . . -179.9(3) ?
C13 N1 C11 C12 . . . . 0.1(4) ?
C14 N1 C11 O7 . . . . 0.0(3) ?
C14 N1 C11 C12 . . . . -180.0(4) ?
C15 C16 N2 C18 . . . . -180.0(4) ?
C15 C16 N2 C17 . . . . 0.0(4) ?
C13A N1A C11A O7A . . . . -179.8(4) ?
C13A N1A C11A C12A . . . . 0.3(7) ?
C14A N1A C11A O7A . . . . -0.1(7) ?
C14A N1A C11A C12A . . . . 179.9(5) ?

_cod_database_fobs_code 2022619
