#------------------------------------------------------------------------------
#$Date: 2022-03-05 00:08:10 +0200 (Sat, 05 Mar 2022) $
#$Revision: 273354 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/40/7244055.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_7244055
loop_
_publ_author_name
'Dong, Yingling'
'Chen, Rui'
'Zhu, Xu'
'Niu, Caoyuan'
'Wu, Benlai'
'Yu, Ajuan'
_publ_section_title
;
 Homochiral porous coordination polymer of EuIII for metal ion sensing and
 enantioselective adsorption
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1156
_journal_page_last               1160
_journal_paper_doi               10.1039/D1CE01244D
_journal_volume                  24
_journal_year                    2022
_chemical_absolute_configuration rm
_chemical_formula_sum            'C30 H50 Cl2 Eu2 N2 O20'
_chemical_formula_weight         1133.54
_space_group_crystal_system      trigonal
_space_group_IT_number           150
_space_group_name_Hall           'P 3 2"'
_space_group_name_H-M_alt        'P 3 2 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-28 deposited with the CCDC.	2021-11-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   19.40780(10)
_cell_length_b                   19.40780(10)
_cell_length_c                   23.1536(2)
_cell_measurement_reflns_used    45918
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.1180
_cell_measurement_theta_min      3.6490
_cell_volume                     7552.69(9)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'RIGAKU SUPERNOVA'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_unetI/netI     0.0252
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            123892
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.325
_exptl_absorpt_coefficient_mu    2.639
_exptl_absorpt_correction_T_max  0.804
_exptl_absorpt_correction_T_min  0.481
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrysAlisPro
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_description       block
_exptl_crystal_F_000             3384
_exptl_crystal_size_max          0.2915
_exptl_crystal_size_mid          0.2191
_exptl_crystal_size_min          0.0786
_refine_diff_density_max         1.119
_refine_diff_density_min         -0.716
_refine_diff_density_rms         0.089
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.05(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         10304
_refine_ls_number_restraints     731
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0341
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0254P)²+17.4584P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0704
_reflns_Friedel_coverage         0.834
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                9464
_reflns_number_total             10304
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ce01244d2.cif
_cod_data_source_block           I_sq
_cod_depositor_comments          'Adding full bibliography for 7244055.cif.'
_cod_original_cell_volume        7552.69(10)
_cod_database_code               7244055
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x-y, -y, -z'
'-x, -x+y, -z'
'y, x, -z'
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 0.44602(2) 0.51356(2) 0.07939(2) 0.02146(11) Uani 1 1 d . U . . .
Eu2 Eu 0.54904(2) 0.48199(2) 0.41882(2) 0.01881(10) Uani 1 1 d . U . . .
Cl1 Cl 0.61877(17) 0.65556(16) 0.24555(10) 0.0456(6) Uani 1 1 d . . . . .
Cl2 Cl 0.37324(19) 0.3426(2) 0.25774(12) 0.0573(7) Uani 1 1 d . . . . .
O1 O 0.5739(4) 0.5356(5) 0.0646(4) 0.0551(18) Uani 1 1 d . U . . .
O2 O 0.6189(4) 0.4994(5) -0.0100(3) 0.0520(19) Uani 1 1 d . U . . .
O3 O 0.8905(5) 0.5396(5) -0.0068(3) 0.0459(17) Uani 1 1 d . U . . .
O4 O 0.9597(4) 0.5786(5) 0.0744(3) 0.0454(16) Uani 1 1 d . U . . .
O5 O 0.7613(4) 0.5340(5) 0.3845(3) 0.069(2) Uani 1 1 d . U . . .
O6 O 0.6600(4) 0.5471(4) 0.3539(3) 0.0379(14) Uani 1 1 d . U . . .
O7 O 0.5265(5) 0.6333(5) 0.1346(4) 0.078(3) Uani 1 1 d . U . . .
H7A H 0.496100 0.636732 0.166679 0.116 Uiso 1 1 d R U . . .
H7B H 0.540612 0.682723 0.115802 0.116 Uiso 1 1 d R U . . .
O8 O 0.4866(5) 0.4802(5) 0.1744(3) 0.068(3) Uani 1 1 d . . . . .
H8A H 0.507457 0.445869 0.170216 0.102 Uiso 1 1 d R U . . .
H8B H 0.442474 0.449837 0.198363 0.102 Uiso 1 1 d R U . . .
O9 O 0.3702(5) 0.5879(5) 0.0857(3) 0.059(3) Uani 1 1 d . . . . .
H9A H 0.385205 0.623893 0.056967 0.088 Uiso 1 1 d R U . . .
H9B H 0.383694 0.618352 0.117780 0.088 Uiso 1 1 d R U . . .
O10 O 0.5012(5) 0.5154(5) 0.3268(2) 0.0437(16) Uani 1 1 d . . . . .
H10A H 0.495237 0.481546 0.298050 0.065 Uiso 1 1 d DR U . . .
H10B H 0.538817 0.562832 0.313003 0.065 Uiso 1 1 d R U . . .
O11 O 0.4933(4) 0.3724(4) 0.3539(3) 0.0515(17) Uani 1 1 d . U . . .
H11A H 0.449092 0.367212 0.333435 0.077 Uiso 1 1 d DR U . . .
H11B H 0.469359 0.324905 0.375120 0.077 Uiso 1 1 d R U . . .
O12 O 0.6241(4) 0.4068(4) 0.4211(3) 0.0391(17) Uani 1 1 d . . . . .
H12A H 0.591839 0.356712 0.412004 0.059 Uiso 1 1 d R U . . .
H12B H 0.639180 0.404722 0.456592 0.059 Uiso 1 1 d R U . . .
O13 O 0.4205(4) 0.4587(5) 0.4357(3) 0.0459(17) Uani 1 1 d . U . . .
O14 O 0.3779(4) 0.4961(5) 0.5117(3) 0.0426(16) Uani 1 1 d . U . . .
O15 O 0.1083(4) 0.4640(4) 0.5083(3) 0.0385(15) Uani 1 1 d . U . . .
O16 O 0.0403(4) 0.4275(5) 0.4261(3) 0.0416(16) Uani 1 1 d . U . . .
O17 O 0.2488(6) 0.4841(5) 0.1479(4) 0.090(2) Uani 1 1 d . U . . .
O18 O 0.3318(4) 0.4382(5) 0.1386(3) 0.0567(19) Uani 1 1 d . U . . .
N1 N 0.7566(4) 0.6142(4) 0.2537(3) 0.0358(14) Uani 1 1 d . U . . .
H1A H 0.743418 0.563595 0.244200 0.043 Uiso 1 1 calc DR U . . .
H1B H 0.711058 0.616785 0.253735 0.043 Uiso 1 1 calc R U . . .
N2 N 0.2060(5) 0.3842(5) 0.2480(3) 0.0452(17) Uani 1 1 d . U . . .
H2A H 0.167039 0.397016 0.244736 0.054 Uiso 1 1 calc R U . . .
H2B H 0.251719 0.429387 0.257540 0.054 Uiso 1 1 calc R U . . .
C1 C 0.6275(6) 0.5302(6) 0.0374(5) 0.037(2) Uani 1 1 d . U . . .
C2 C 0.7073(5) 0.5641(6) 0.0670(4) 0.0312(17) Uani 1 1 d . U . . .
C3 C 0.7659(5) 0.5537(5) 0.0415(3) 0.0264(17) Uani 1 1 d . U . . .
H3 H 0.757059 0.529412 0.004524 0.032 Uiso 1 1 calc R U . . .
C4 C 0.8383(6) 0.5789(6) 0.0701(4) 0.0287(17) Uani 1 1 d . U . . .
C5 C 0.9018(5) 0.5648(5) 0.0449(4) 0.0300(18) Uani 1 1 d . U . . .
C6 C 0.8509(5) 0.6138(6) 0.1247(4) 0.0313(18) Uani 1 1 d . U . . .
H6 H 0.898919 0.628695 0.144967 0.038 Uiso 1 1 calc R U . . .
C7 C 0.7923(5) 0.6268(6) 0.1496(4) 0.0320(18) Uani 1 1 d . U . . .
C8 C 0.7204(5) 0.6003(6) 0.1208(4) 0.0345(19) Uani 1 1 d . U . . .
H8 H 0.679806 0.607132 0.138100 0.041 Uiso 1 1 calc R U . . .
C9 C 0.8105(6) 0.6688(6) 0.2090(4) 0.040(2) Uani 1 1 d . U . . .
H9C H 0.866344 0.686909 0.219859 0.048 Uiso 1 1 calc R U . . .
H9D H 0.803988 0.716120 0.206455 0.048 Uiso 1 1 calc R U . . .
C10 C 0.7910(6) 0.6317(6) 0.3141(3) 0.0390(19) Uani 1 1 d . U . . .
H10 H 0.842721 0.632002 0.313847 0.047 Uiso 1 1 calc R U . . .
C11 C 0.7310(6) 0.5628(6) 0.3535(4) 0.039(2) Uani 1 1 d . U . . .
C12 C 0.8051(6) 0.7109(6) 0.3354(4) 0.061(2) Uani 1 1 d D U . . .
H12C H 0.754572 0.711873 0.334934 0.074 Uiso 0.745(14) 1 calc R U P A 1
H12D H 0.843543 0.753910 0.309818 0.074 Uiso 0.745(14) 1 calc R U P A 1
H12E H 0.752408 0.701870 0.347814 0.074 Uiso 0.255(14) 1 calc R U P A 2
H12F H 0.819815 0.745468 0.300793 0.074 Uiso 0.255(14) 1 calc R U P A 2
C13 C 0.8393(11) 0.7244(12) 0.3994(7) 0.083(5) Uani 0.745(14) 1 d D U P A 1
H13 H 0.801911 0.681711 0.426294 0.100 Uiso 0.745(14) 1 calc R U P A 1
C14 C 0.8462(13) 0.8114(13) 0.4139(9) 0.113(6) Uani 0.745(14) 1 d D U P A 1
H14A H 0.811570 0.805403 0.446631 0.170 Uiso 0.745(14) 1 calc R U P A 1
H14B H 0.829723 0.829835 0.380013 0.170 Uiso 0.745(14) 1 calc R U P A 1
H14C H 0.901385 0.850403 0.423687 0.170 Uiso 0.745(14) 1 calc R U P A 1
C15 C 0.9195(11) 0.7364(14) 0.4027(9) 0.113(6) Uani 0.745(14) 1 d D U P A 1
H15A H 0.944835 0.764331 0.438616 0.169 Uiso 0.745(14) 1 calc R U P A 1
H15B H 0.950699 0.768310 0.369635 0.169 Uiso 0.745(14) 1 calc R U P A 1
H15C H 0.916987 0.684728 0.402041 0.169 Uiso 0.745(14) 1 calc R U P A 1
C13A C 0.865(2) 0.763(3) 0.3840(14) 0.087(7) Uani 0.255(14) 1 d D U P A 2
H13A H 0.906565 0.747247 0.386815 0.104 Uiso 0.255(14) 1 calc R U P A 2
C14A C 0.816(3) 0.739(3) 0.4450(15) 0.110(11) Uani 0.255(14) 1 d D U P A 2
H14D H 0.841075 0.784389 0.471640 0.164 Uiso 0.255(14) 1 calc R U P A 2
H14E H 0.817705 0.693604 0.461974 0.164 Uiso 0.255(14) 1 calc R U P A 2
H14F H 0.761013 0.724980 0.437940 0.164 Uiso 0.255(14) 1 calc R U P A 2
C15A C 0.906(4) 0.849(2) 0.374(2) 0.121(11) Uani 0.255(14) 1 d D U P A 2
H15D H 0.963708 0.868821 0.370917 0.182 Uiso 0.255(14) 1 calc R U P A 2
H15E H 0.896580 0.875016 0.406863 0.182 Uiso 0.255(14) 1 calc R U P A 2
H15F H 0.886911 0.860259 0.338607 0.182 Uiso 0.255(14) 1 calc R U P A 2
C16 C 0.3687(5) 0.4637(6) 0.4626(4) 0.0315(19) Uani 1 1 d . U . . .
C17 C 0.2873(5) 0.4320(6) 0.4347(4) 0.0290(17) Uani 1 1 d . U . . .
C18 C 0.2284(5) 0.4432(5) 0.4600(3) 0.0271(16) Uani 1 1 d . U . . .
H18 H 0.237759 0.468575 0.496540 0.033 Uiso 1 1 calc R U . . .
C19 C 0.1571(5) 0.4178(6) 0.4327(4) 0.0258(16) Uani 1 1 d . U . . .
C20 C 0.0967(5) 0.4372(5) 0.4591(4) 0.0254(17) Uani 1 1 d . U . . .
C21 C 0.1420(5) 0.3782(6) 0.3800(4) 0.0299(18) Uani 1 1 d . U . . .
H21 H 0.092531 0.360694 0.361087 0.036 Uiso 1 1 calc R U . . .
C22 C 0.1979(5) 0.3645(5) 0.3553(3) 0.0307(18) Uani 1 1 d . U . . .
C23 C 0.2701(5) 0.3906(6) 0.3820(4) 0.0300(18) Uani 1 1 d . U . . .
H23 H 0.308703 0.380678 0.364747 0.036 Uiso 1 1 calc R U . . .
C24 C 0.1842(6) 0.3248(6) 0.2975(3) 0.037(2) Uani 1 1 d . U . . .
H24A H 0.127461 0.283249 0.294113 0.045 Uiso 1 1 calc R U . . .
H24B H 0.216511 0.298471 0.294652 0.045 Uiso 1 1 calc R U . . .
C25 C 0.2175(6) 0.3566(7) 0.1896(4) 0.049(2) Uani 1 1 d . U . . .
H25 H 0.246564 0.326648 0.194966 0.058 Uiso 1 1 calc R U . . .
C26 C 0.2687(6) 0.4298(7) 0.1545(5) 0.052(2) Uani 1 1 d . U . . .
C27 C 0.1381(6) 0.3020(8) 0.1598(4) 0.069(3) Uani 1 1 d D U . . .
H27A H 0.102003 0.323897 0.164959 0.083 Uiso 0.637(19) 1 calc R U P B 1
H27B H 0.112805 0.248760 0.178026 0.083 Uiso 0.637(19) 1 calc R U P B 1
H27C H 0.115305 0.334092 0.144646 0.083 Uiso 0.363(19) 1 calc R U P B 2
H27D H 0.100107 0.263588 0.188175 0.083 Uiso 0.363(19) 1 calc R U P B 2
C28 C 0.1504(15) 0.2942(16) 0.0938(8) 0.097(6) Uani 0.637(19) 1 d D U P B 1
H28 H 0.184700 0.348497 0.077235 0.117 Uiso 0.637(19) 1 calc R U P B 1
C29 C 0.1966(14) 0.2438(18) 0.0884(11) 0.104(7) Uani 0.637(19) 1 d D U P B 1
H29A H 0.241970 0.271419 0.062081 0.156 Uiso 0.637(19) 1 calc R U P B 1
H29B H 0.160041 0.190602 0.073228 0.156 Uiso 0.637(19) 1 calc R U P B 1
H29C H 0.215728 0.239118 0.126547 0.156 Uiso 0.637(19) 1 calc R U P B 1
C30 C 0.0753(15) 0.255(2) 0.0621(10) 0.134(9) Uani 0.637(19) 1 d D U P B 1
H30A H 0.067033 0.294410 0.042273 0.201 Uiso 0.637(19) 1 calc R U P B 1
H30B H 0.031463 0.224330 0.089061 0.201 Uiso 0.637(19) 1 calc R U P B 1
H30C H 0.077193 0.218168 0.033532 0.201 Uiso 0.637(19) 1 calc R U P B 1
C28A C 0.151(3) 0.255(3) 0.108(2) 0.101(7) Uani 0.363(19) 1 d . U P B 2
H28A H 0.183394 0.288902 0.075210 0.121 Uiso 0.363(19) 1 calc R U P B 2
C29A C 0.167(3) 0.179(3) 0.128(2) 0.134(13) Uani 0.363(19) 1 d . U P B 2
H29D H 0.215520 0.185778 0.109114 0.200 Uiso 0.363(19) 1 calc R U P B 2
H29E H 0.121669 0.127595 0.115953 0.200 Uiso 0.363(19) 1 calc R U P B 2
H29F H 0.173408 0.178679 0.169990 0.200 Uiso 0.363(19) 1 calc R U P B 2
C30A C 0.043(3) 0.191(4) 0.094(2) 0.128(12) Uani 0.363(19) 1 d . U P B 2
H30D H 0.034005 0.145035 0.070981 0.193 Uiso 0.363(19) 1 calc R U P B 2
H30E H 0.023346 0.221627 0.072440 0.193 Uiso 0.363(19) 1 calc R U P B 2
H30F H 0.014084 0.173119 0.130573 0.193 Uiso 0.363(19) 1 calc R U P B 2
O5S O 0.333333 0.666667 0.4564(8) 0.108(3) Uani 1 3 d DS TU P . .
H5SA H 0.348750 0.711520 0.440512 0.163 Uiso 0.3333 1 d DR U P . .
H5SB H 0.331290 0.637290 0.428482 0.163 Uiso 0.3333 1 d DR U P . .
O3S O 0.7265(10) 0.4607(7) 0.2315(6) 0.080(5) Uani 0.5 1 d D . P . .
H3SA H 0.6815(16) 0.4387(4) 0.247(3) 0.119 Uiso 0.5 1 d D U P . .
H3SB H 0.759(3) 0.464(7) 0.257(2) 0.119 Uiso 0.5 1 d D U P . .
O2S O 0.333333 0.666667 0.2042(10) 0.254(17) Uani 1 3 d DS T P . .
H2SA H 0.310790 0.655880 0.171834 0.381 Uiso 0.3333 1 d DR U P . .
H2SB H 0.352370 0.715740 0.209514 0.381 Uiso 0.3333 1 d DR U P . .
O1S O 0.666667 0.333333 0.0235(7) 0.098(3) Uani 1 3 d DS TU P . .
H1SA H 0.662(10) 0.342(8) 0.0584(11) 0.147 Uiso 0.3333 1 d D U P . .
H1SB H 0.654(4) 0.360(3) 0.002(3) 0.147 Uiso 0.3333 1 d D U P . .
O4S O 0.5794(8) 0.3910(8) 0.1529(7) 0.082(5) Uani 0.5 1 d D . P . .
H4SA H 0.596(5) 0.427(3) 0.178(2) 0.122 Uiso 0.5 1 d D U P . .
H4SB H 0.617(2) 0.385(4) 0.142(5) 0.122 Uiso 0.5 1 d D U P . .
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
O3 Eu1 O1 120.9(3) 4_565 . ?
O3 Eu1 O4 78.4(3) 4_565 2_655 ?
O1 Eu1 O4 79.1(3) . 2_655 ?
O3 Eu1 O18 81.7(3) 4_565 . ?
O1 Eu1 O18 141.0(3) . . ?
O4 Eu1 O18 75.0(3) 2_655 . ?
O3 Eu1 O2 78.6(3) 4_565 6 ?
O1 Eu1 O2 77.1(3) . 6 ?
O4 Eu1 O2 131.4(3) 2_655 6 ?
O18 Eu1 O2 141.5(3) . 6 ?
O3 Eu1 O7 142.9(3) 4_565 . ?
O1 Eu1 O7 77.5(3) . . ?
O4 Eu1 O7 138.7(3) 2_655 . ?
O18 Eu1 O7 103.9(3) . . ?
O2 Eu1 O7 74.8(3) 6 . ?
O3 Eu1 O8 142.8(3) 4_565 . ?
O1 Eu1 O8 74.6(3) . . ?
O4 Eu1 O8 71.6(3) 2_655 . ?
O18 Eu1 O8 69.9(3) . . ?
O2 Eu1 O8 138.3(3) 6 . ?
O7 Eu1 O8 69.6(3) . . ?
O3 Eu1 O9 74.7(3) 4_565 . ?
O1 Eu1 O9 140.9(3) . . ?
O4 Eu1 O9 139.7(3) 2_655 . ?
O18 Eu1 O9 71.9(3) . . ?
O2 Eu1 O9 71.2(3) 6 . ?
O7 Eu1 O9 72.6(3) . . ?
O8 Eu1 O9 116.1(3) . . ?
O3 Eu1 Eu1 62.86(18) 4_565 6 ?
O1 Eu1 Eu1 58.1(2) . 6 ?
O4 Eu1 Eu1 63.70(18) 2_655 6 ?
O18 Eu1 Eu1 129.3(2) . 6 ?
O2 Eu1 Eu1 67.7(2) 6 6 ?
O7 Eu1 Eu1 126.4(2) . 6 ?
O8 Eu1 Eu1 118.8(2) . 6 ?
O9 Eu1 Eu1 125.02(18) . 6 ?
O15 Eu2 O13 119.8(3) 4_666 . ?
O15 Eu2 O16 77.3(3) 4_666 2_665 ?
O13 Eu2 O16 78.9(3) . 2_665 ?
O15 Eu2 O14 78.5(2) 4_666 6_556 ?
O13 Eu2 O14 75.9(3) . 6_556 ?
O16 Eu2 O14 129.6(2) 2_665 6_556 ?
O15 Eu2 O11 139.9(2) 4_666 . ?
O13 Eu2 O11 88.2(3) . . ?
O16 Eu2 O11 140.1(2) 2_665 . ?
O14 Eu2 O11 81.8(2) 6_556 . ?
O15 Eu2 O6 85.2(2) 4_666 . ?
O13 Eu2 O6 142.8(2) . . ?
O16 Eu2 O6 80.7(2) 2_665 . ?
O14 Eu2 O6 139.8(2) 6_556 . ?
O11 Eu2 O6 87.9(2) . . ?
O15 Eu2 O12 71.8(2) 4_666 . ?
O13 Eu2 O12 138.9(3) . . ?
O16 Eu2 O12 140.0(3) 2_665 . ?
O14 Eu2 O12 67.9(2) 6_556 . ?
O11 Eu2 O12 68.4(2) . . ?
O6 Eu2 O12 72.1(2) . . ?
O15 Eu2 O10 143.5(3) 4_666 . ?
O13 Eu2 O10 72.4(3) . . ?
O16 Eu2 O10 71.4(3) 2_665 . ?
O14 Eu2 O10 136.7(3) 6_556 . ?
O11 Eu2 O10 68.7(2) . . ?
O6 Eu2 O10 71.7(2) . . ?
O12 Eu2 O10 123.8(2) . . ?
O15 Eu2 Eu2 62.06(17) 4_666 6_556 ?
O13 Eu2 Eu2 57.81(19) . 6_556 ?
O16 Eu2 Eu2 62.84(18) 2_665 6_556 ?
O14 Eu2 Eu2 66.76(17) 6_556 6_556 ?
O11 Eu2 Eu2 137.55(18) . 6_556 ?
O6 Eu2 Eu2 134.53(17) . 6_556 ?
O12 Eu2 Eu2 119.73(15) . 6_556 ?
O10 Eu2 Eu2 116.34(15) . 6_556 ?
C1 O1 Eu1 155.0(8) . . ?
C1 O2 Eu1 133.9(7) . 6 ?
C5 O3 Eu1 145.3(7) . 4_665 ?
C5 O4 Eu1 142.1(7) . 3_665 ?
C11 O6 Eu2 136.0(6) . . ?
Eu1 O7 H7A 110.3 . . ?
Eu1 O7 H7B 116.4 . . ?
H7A O7 H7B 99.1 . . ?
Eu1 O8 H8A 112.9 . . ?
Eu1 O8 H8B 111.8 . . ?
H8A O8 H8B 101.3 . . ?
Eu1 O9 H9A 110.2 . . ?
Eu1 O9 H9B 111.1 . . ?
H9A O9 H9B 103.0 . . ?
Eu2 O10 H10A 111.4 . . ?
Eu2 O10 H10B 110.3 . . ?
H10A O10 H10B 103.0 . . ?
Eu2 O11 H11A 113.4 . . ?
Eu2 O11 H11B 109.2 . . ?
H11A O11 H11B 100.5 . . ?
Eu2 O12 H12A 109.6 . . ?
Eu2 O12 H12B 110.3 . . ?
H12A O12 H12B 104.1 . . ?
C16 O13 Eu2 155.2(7) . . ?
C16 O14 Eu2 134.5(6) . 6_556 ?
C20 O15 Eu2 146.4(6) . 4_566 ?
C20 O16 Eu2 142.9(6) . 3_565 ?
C26 O18 Eu1 145.6(8) . . ?
C9 N1 C10 114.3(7) . . ?
C9 N1 H1A 108.7 . . ?
C10 N1 H1A 108.7 . . ?
C9 N1 H1B 108.7 . . ?
C10 N1 H1B 108.7 . . ?
H1A N1 H1B 107.6 . . ?
C25 N2 C24 116.1(7) . . ?
C25 N2 H2A 108.3 . . ?
C24 N2 H2A 108.3 . . ?
C25 N2 H2B 108.3 . . ?
C24 N2 H2B 108.3 . . ?
H2A N2 H2B 107.4 . . ?
O2 C1 O1 124.8(10) . . ?
O2 C1 C2 118.7(9) . . ?
O1 C1 C2 116.5(10) . . ?
C3 C2 C8 120.1(8) . . ?
C3 C2 C1 118.7(9) . . ?
C8 C2 C1 121.1(8) . . ?
C2 C3 C4 120.0(8) . . ?
C2 C3 H3 120.0 . . ?
C4 C3 H3 120.0 . . ?
C6 C4 C3 120.0(8) . . ?
C6 C4 C5 118.5(8) . . ?
C3 C4 C5 121.4(8) . . ?
O4 C5 O3 125.0(9) . . ?
O4 C5 C4 119.2(9) . . ?
O3 C5 C4 115.8(8) . . ?
C4 C6 C7 119.8(8) . . ?
C4 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C8 C7 C6 119.3(8) . . ?
C8 C7 C9 122.9(8) . . ?
C6 C7 C9 117.8(8) . . ?
C2 C8 C7 120.8(8) . . ?
C2 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
N1 C9 C7 110.7(8) . . ?
N1 C9 H9C 109.5 . . ?
C7 C9 H9C 109.5 . . ?
N1 C9 H9D 109.5 . . ?
C7 C9 H9D 109.5 . . ?
H9C C9 H9D 108.1 . . ?
C12 C10 N1 111.5(8) . . ?
C12 C10 C11 111.1(8) . . ?
N1 C10 C11 107.0(7) . . ?
C12 C10 H10 109.1 . . ?
N1 C10 H10 109.1 . . ?
C11 C10 H10 109.1 . . ?
O5 C11 O6 127.2(9) . . ?
O5 C11 C10 114.3(8) . . ?
O6 C11 C10 118.3(8) . . ?
C10 C12 C13A 126(2) . . ?
C10 C12 C13 108.8(10) . . ?
C10 C12 H12C 109.9 . . ?
C13 C12 H12C 109.9 . . ?
C10 C12 H12D 109.9 . . ?
C13 C12 H12D 109.9 . . ?
H12C C12 H12D 108.3 . . ?
C10 C12 H12E 105.7 . . ?
C13A C12 H12E 105.7 . . ?
C10 C12 H12F 105.7 . . ?
C13A C12 H12F 105.7 . . ?
H12E C12 H12F 106.2 . . ?
C15 C13 C12 113.5(14) . . ?
C15 C13 C14 106.9(16) . . ?
C12 C13 C14 99.9(13) . . ?
C15 C13 H13 111.9 . . ?
C12 C13 H13 111.9 . . ?
C14 C13 H13 111.9 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C15A C13A C12 116(3) . . ?
C15A C13A C14A 112(3) . . ?
C12 C13A C14A 107(2) . . ?
C15A C13A H13A 107.2 . . ?
C12 C13A H13A 107.2 . . ?
C14A C13A H13A 107.2 . . ?
C13A C14A H14D 109.5 . . ?
C13A C14A H14E 109.5 . . ?
H14D C14A H14E 109.5 . . ?
C13A C14A H14F 109.5 . . ?
H14D C14A H14F 109.5 . . ?
H14E C14A H14F 109.5 . . ?
C13A C15A H15D 109.5 . . ?
C13A C15A H15E 109.5 . . ?
H15D C15A H15E 109.5 . . ?
C13A C15A H15F 109.5 . . ?
H15D C15A H15F 109.5 . . ?
H15E C15A H15F 109.5 . . ?
O13 C16 O14 125.2(8) . . ?
O13 C16 C17 118.6(9) . . ?
O14 C16 C17 116.2(8) . . ?
C18 C17 C23 118.3(8) . . ?
C18 C17 C16 121.7(8) . . ?
C23 C17 C16 120.0(8) . . ?
C19 C18 C17 120.7(7) . . ?
C19 C18 H18 119.7 . . ?
C17 C18 H18 119.7 . . ?
C18 C19 C21 119.9(8) . . ?
C18 C19 C20 119.3(8) . . ?
C21 C19 C20 120.7(8) . . ?
O15 C20 O16 125.6(8) . . ?
O15 C20 C19 118.5(8) . . ?
O16 C20 C19 115.8(8) . . ?
C22 C21 C19 120.4(8) . . ?
C22 C21 H21 119.8 . . ?
C19 C21 H21 119.8 . . ?
C21 C22 C23 120.2(8) . . ?
C21 C22 C24 121.3(8) . . ?
C23 C22 C24 118.5(8) . . ?
C22 C23 C17 120.5(8) . . ?
C22 C23 H23 119.8 . . ?
C17 C23 H23 119.8 . . ?
C22 C24 N2 111.8(7) . . ?
C22 C24 H24A 109.3 . . ?
N2 C24 H24A 109.3 . . ?
C22 C24 H24B 109.3 . . ?
N2 C24 H24B 109.3 . . ?
H24A C24 H24B 107.9 . . ?
C26 C25 N2 107.1(9) . . ?
C26 C25 C27 111.9(9) . . ?
N2 C25 C27 111.8(8) . . ?
C26 C25 H25 108.6 . . ?
N2 C25 H25 108.6 . . ?
C27 C25 H25 108.6 . . ?
O18 C26 O17 123.1(11) . . ?
O18 C26 C25 116.0(10) . . ?
O17 C26 C25 120.4(10) . . ?
C25 C27 C28 110.9(12) . . ?
C25 C27 C28A 110(2) . . ?
C25 C27 H27A 109.5 . . ?
C28 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C28 C27 H27B 109.5 . . ?
H27A C27 H27B 108.1 . . ?
C25 C27 H27C 109.7 . . ?
C28A C27 H27C 109.7 . . ?
C25 C27 H27D 109.7 . . ?
C28A C27 H27D 109.7 . . ?
H27C C27 H27D 108.2 . . ?
C30 C28 C27 112.5(18) . . ?
C30 C28 C29 110.4(19) . . ?
C27 C28 C29 106.9(16) . . ?
C30 C28 H28 109.0 . . ?
C27 C28 H28 109.0 . . ?
C29 C28 H28 109.0 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C27 C28A C29A 116(4) . . ?
C27 C28A C30A 94(3) . . ?
C29A C28A C30A 96(4) . . ?
C27 C28A H28A 115.6 . . ?
C29A C28A H28A 115.6 . . ?
C30A C28A H28A 115.6 . . ?
C28A C29A H29D 109.5 . . ?
C28A C29A H29E 109.5 . . ?
H29D C29A H29E 109.5 . . ?
C28A C29A H29F 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
C28A C30A H30D 109.5 . . ?
C28A C30A H30E 109.5 . . ?
H30D C30A H30E 109.5 . . ?
C28A C30A H30F 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
H5SA O5S H5SB 103.3 . . ?
H5SA O5S H5SA 102.6 . 2_665 ?
H5SB O5S H5SA 62.0 . 2_665 ?
H5SA O5S H5SA 102.6 . 3_565 ?
H5SB O5S H5SA 41.2 . 3_565 ?
H5SA O5S H5SA 102.6 2_665 3_565 ?
H5SA O5S H5SB 41.2 . 2_665 ?
H5SB O5S H5SB 68.3 . 2_665 ?
H5SA O5S H5SB 103.3 2_665 2_665 ?
H5SA O5S H5SB 62.0 3_565 2_665 ?
H5SA O5S H5SB 62.0 . 3_565 ?
H5SB O5S H5SB 68.3 . 3_565 ?
H5SA O5S H5SB 41.2 2_665 3_565 ?
H5SA O5S H5SB 103.3 3_565 3_565 ?
H5SB O5S H5SB 68.3 2_665 3_565 ?
H3SA O3S H3SB 107(3) . . ?
H2SA O2S H2SB 106.9 . . ?
H2SA O2S H2SA 46.0 . 2_665 ?
H2SB O2S H2SA 114.2 . 2_665 ?
H2SA O2S H2SA 46.0 . 3_565 ?
H2SB O2S H2SA 71.9 . 3_565 ?
H2SA O2S H2SA 46.0 2_665 3_565 ?
H2SA O2S H2SB 71.9 . 2_665 ?
H2SB O2S H2SB 117.9 . 2_665 ?
H2SA O2S H2SB 106.9 2_665 2_665 ?
H2SA O2S H2SB 114.2 3_565 2_665 ?
H2SA O2S H2SB 114.2 . 3_565 ?
H2SB O2S H2SB 117.9 . 3_565 ?
H2SA O2S H2SB 71.9 2_665 3_565 ?
H2SA O2S H2SB 106.9 3_565 3_565 ?
H2SB O2S H2SB 117.9 2_665 3_565 ?
H1SA O1S H1SB 110(3) . . ?
H1SA O1S H1SA 28(10) . 2_655 ?
H1SB O1S H1SA 133(10) . 2_655 ?
H1SA O1S H1SA 28(10) . 3_665 ?
H1SB O1S H1SA 133(10) . 3_665 ?
H1SA O1S H1SA 28(10) 2_655 3_665 ?
H1SA O1S H1SB 133(10) . 2_655 ?
H1SB O1S H1SB 89(8) . 2_655 ?
H1SA O1S H1SB 110(3) 2_655 2_655 ?
H1SA O1S H1SB 133(10) 3_665 2_655 ?
H1SA O1S H1SB 133(10) . 3_665 ?
H1SB O1S H1SB 89(8) . 3_665 ?
H1SA O1S H1SB 133(10) 2_655 3_665 ?
H1SA O1S H1SB 110(3) 3_665 3_665 ?
H1SB O1S H1SB 89(8) 2_655 3_665 ?
H4SA O4S H4SB 109(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O3 2.321(6) 4_565 ?
Eu1 O1 2.322(7) . ?
Eu1 O4 2.371(7) 2_655 ?
Eu1 O18 2.385(7) . ?
Eu1 O2 2.391(7) 6 ?
Eu1 O7 2.418(8) . ?
Eu1 O8 2.528(7) . ?
Eu1 O9 2.528(7) . ?
Eu1 Eu1 4.3209(8) 6 ?
Eu2 O15 2.330(6) 4_666 ?
Eu2 O13 2.334(6) . ?
Eu2 O16 2.350(6) 2_665 ?
Eu2 O14 2.376(6) 6_556 ?
Eu2 O11 2.378(6) . ?
Eu2 O6 2.402(6) . ?
Eu2 O12 2.527(6) . ?
Eu2 O10 2.534(5) . ?
Eu2 Eu2 4.3830(8) 6_556 ?
O1 C1 1.265(12) . ?
O2 C1 1.222(13) . ?
O3 C5 1.271(11) . ?
O4 C5 1.224(11) . ?
O5 C11 1.226(11) . ?
O6 C11 1.254(11) . ?
O7 H7A 0.9711 . ?
O7 H7B 0.9600 . ?
O8 H8A 0.9424 . ?
O8 H8B 0.9401 . ?
O9 H9A 0.9010 . ?
O9 H9B 0.9021 . ?
O10 H10A 0.9017 . ?
O10 H10B 0.9009 . ?
O11 H11A 0.9404 . ?
O11 H11B 0.9366 . ?
O12 H12A 0.8790 . ?
O12 H12B 0.8790 . ?
O13 C16 1.228(11) . ?
O14 C16 1.268(12) . ?
O15 C20 1.226(10) . ?
O16 C20 1.269(11) . ?
O17 C26 1.301(14) . ?
O18 C26 1.209(12) . ?
N1 C9 1.476(11) . ?
N1 C10 1.512(10) . ?
N1 H1A 0.9100 . ?
N1 H1B 0.9100 . ?
N2 C25 1.512(11) . ?
N2 C24 1.529(11) . ?
N2 H2A 0.9100 . ?
N2 H2B 0.9100 . ?
C1 C2 1.510(13) . ?
C2 C3 1.385(12) . ?
C2 C8 1.388(13) . ?
C3 C4 1.402(12) . ?
C3 H3 0.9500 . ?
C4 C6 1.396(12) . ?
C4 C5 1.508(12) . ?
C6 C7 1.405(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.393(12) . ?
C7 C9 1.547(12) . ?
C8 H8 0.9500 . ?
C9 H9C 0.9900 . ?
C9 H9D 0.9900 . ?
C10 C12 1.504(13) . ?
C10 C11 1.556(13) . ?
C10 H10 1.0000 . ?
C12 C13A 1.57(2) . ?
C12 C13 1.592(16) . ?
C12 H12C 0.9900 . ?
C12 H12D 0.9900 . ?
C12 H12E 0.9900 . ?
C12 H12F 0.9900 . ?
C13 C15 1.46(2) . ?
C13 C14 1.66(2) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C13A C15A 1.45(3) . ?
C13A C14A 1.63(3) . ?
C13A H13A 1.0000 . ?
C14A H14D 0.9800 . ?
C14A H14E 0.9800 . ?
C14A H14F 0.9800 . ?
C15A H15D 0.9800 . ?
C15A H15E 0.9800 . ?
C15A H15F 0.9800 . ?
C16 C17 1.523(11) . ?
C17 C18 1.394(12) . ?
C17 C23 1.406(12) . ?
C18 C19 1.369(12) . ?
C18 H18 0.9500 . ?
C19 C21 1.393(12) . ?
C19 C20 1.526(11) . ?
C21 C22 1.365(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.376(12) . ?
C22 C24 1.499(11) . ?
C23 H23 0.9500 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.500(15) . ?
C25 C27 1.530(14) . ?
C25 H25 1.0000 . ?
C27 C28 1.566(19) . ?
C27 C28A 1.59(5) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 H27C 0.9900 . ?
C27 H27D 0.9900 . ?
C28 C30 1.46(2) . ?
C28 C29 1.63(2) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C28A C29A 1.73(7) . ?
C28A C30A 1.86(6) . ?
C28A H28A 1.0000 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
O5S H5SA 0.8502 . ?
O5S H5SB 0.8504 . ?
O5S H5SA 0.8502 2_665 ?
O5S H5SA 0.8502 3_565 ?
O5S H5SB 0.8503 2_665 ?
O5S H5SB 0.8503 3_565 ?
O3S H3SA 0.8400(14) . ?
O3S H3SB 0.8400(15) . ?
O2S H2SA 0.8403 . ?
O2S H2SB 0.8407 . ?
O2S H2SA 0.8403 2_665 ?
O2S H2SA 0.8403 3_565 ?
O2S H2SB 0.8407 2_665 ?
O2S H2SB 0.8407 3_565 ?
O1S H1SA 0.8400(15) . ?
O1S H1SB 0.8399(14) . ?
O1S H1SA 0.8400(15) 2_655 ?
O1S H1SA 0.8400(15) 3_665 ?
O1S H1SB 0.8399(14) 2_655 ?
O1S H1SB 0.8399(15) 3_665 ?
O4S H4SA 0.8400(15) . ?
O4S H4SB 0.8400(15) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O7 H7B O17 0.96 2.02 2.676(13) 124.0 2_665 yes
O8 H8A O4S 0.94 2.18 3.100(18) 166.8 . yes
O8 H8B Cl2 0.94 2.29 3.134(9) 149.5 . yes
O9 H9B O2S 0.90 2.60 3.39(2) 146.3 . yes
O10 H10A Cl2 0.90 2.71 3.412(9) 135.1 . yes
O10 H10B Cl1 0.90 2.30 3.153(8) 157.8 . yes
O11 H11A Cl2 0.94 2.18 3.062(7) 155.2 . yes
O11 H11B O5 0.94 1.87 2.686(9) 143.5 2_655 yes
O12 H12A O5 0.88 2.56 3.403(10) 161.5 2_655 yes
O12 H12B O5S 0.88 2.65 3.453(16) 153.3 4_666 yes
N1 H1A O3S 0.91 1.88 2.783(13) 172.5 . yes
N1 H1B Cl1 0.91 2.27 3.160(7) 165.2 . yes
N2 H2A Cl1 0.91 2.39 3.256(8) 159.2 3_565 yes
C9 H9C Cl2 0.99 2.91 3.736(11) 141.6 3_665 yes
C10 H10 Cl2 1.00 2.83 3.744(9) 152.8 3_665 yes
C24 H24B Cl2 0.99 2.85 3.628(10) 136.3 . yes
C25 H25 Cl2 1.00 2.74 3.539(11) 137.4 . yes
C27 H27A^a Cl1 0.99 2.78 3.631(11) 144.3 3_565 yes
O2S H2SA O9 0.84 2.57 3.39(2) 166.0 3_565 yes
O4S H4SA O3S 0.8400(15) 2.58(9) 3.07(2) 118(7) . yes
O7 H7B O17 0.96 2.02 2.676(13) 124.0 2_665 yes
O8 H8A O4S 0.94 2.18 3.100(18) 166.8 . yes
O8 H8B Cl2 0.94 2.29 3.134(9) 149.5 . yes
O9 H9A O1S 0.90 2.45 3.216(14) 142.7 4_565 yes
O9 H9B O2S 0.90 2.60 3.39(2) 146.3 . yes
O10 H10B Cl1 0.90 2.30 3.153(8) 157.8 . yes
O11 H11A Cl2 0.94 2.18 3.062(7) 155.2 . yes
O12 H12A O5 0.88 2.56 3.403(10) 161.5 2_655 yes
O12 H12B O5S 0.88 2.65 3.453(16) 153.3 4_666 yes
N1 H1A O3S 0.91 1.88 2.783(13) 172.5 . yes
N1 H1B Cl1 0.91 2.27 3.160(7) 165.2 . yes
N2 H2A Cl1 0.91 2.39 3.256(8) 159.2 3_565 yes
C9 H9C Cl2 0.99 2.91 3.736(11) 141.6 3_665 yes
C10 H10 Cl2 1.00 2.83 3.744(9) 152.8 3_665 yes
C24 H24B Cl2 0.99 2.85 3.628(10) 136.3 . yes
C25 H25 Cl2 1.00 2.74 3.539(11) 137.4 . yes
C27 H27A^a Cl1 0.99 2.78 3.631(11) 144.3 3_565 yes
O2S H2SA O9 0.84 2.57 3.39(2) 166.0 3_565 yes
O1S H1SB O9 0.8399(14) 2.46(3) 3.216(14) 150(6) 6 yes
O4S H4SA O3S 0.8400(15) 2.58(9) 3.07(2) 118(7) . 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O2 C1 O1 6.1(17) 6 . . . ?
Eu1 O2 C1 C2 -174.5(7) 6 . . . ?
Eu1 O1 C1 O2 4(3) . . . . ?
Eu1 O1 C1 C2 -175.1(12) . . . . ?
O2 C1 C2 C3 -5.0(14) . . . . ?
O1 C1 C2 C3 174.5(9) . . . . ?
O2 C1 C2 C8 179.5(10) . . . . ?
O1 C1 C2 C8 -1.0(15) . . . . ?
C8 C2 C3 C4 0.7(14) . . . . ?
C1 C2 C3 C4 -174.9(9) . . . . ?
C2 C3 C4 C6 0.6(14) . . . . ?
C2 C3 C4 C5 177.0(9) . . . . ?
Eu1 O4 C5 O3 -16.2(18) 3_665 . . . ?
Eu1 O4 C5 C4 164.5(8) 3_665 . . . ?
Eu1 O3 C5 O4 11.9(19) 4_665 . . . ?
Eu1 O3 C5 C4 -168.8(8) 4_665 . . . ?
C6 C4 C5 O4 5.5(14) . . . . ?
C3 C4 C5 O4 -170.9(9) . . . . ?
C6 C4 C5 O3 -173.8(9) . . . . ?
C3 C4 C5 O3 9.8(14) . . . . ?
C3 C4 C6 C7 -2.9(15) . . . . ?
C5 C4 C6 C7 -179.3(9) . . . . ?
C4 C6 C7 C8 3.8(14) . . . . ?
C4 C6 C7 C9 -177.6(8) . . . . ?
C3 C2 C8 C7 0.3(15) . . . . ?
C1 C2 C8 C7 175.7(9) . . . . ?
C6 C7 C8 C2 -2.5(15) . . . . ?
C9 C7 C8 C2 179.0(9) . . . . ?
C10 N1 C9 C7 152.1(7) . . . . ?
C8 C7 C9 N1 64.3(12) . . . . ?
C6 C7 C9 N1 -114.3(9) . . . . ?
C9 N1 C10 C12 65.2(10) . . . . ?
C9 N1 C10 C11 -173.1(7) . . . . ?
Eu2 O6 C11 O5 15.4(18) . . . . ?
Eu2 O6 C11 C10 -158.2(6) . . . . ?
C12 C10 C11 O5 -106.6(10) . . . . ?
N1 C10 C11 O5 131.5(9) . . . . ?
C12 C10 C11 O6 67.9(11) . . . . ?
N1 C10 C11 O6 -54.0(11) . . . . ?
N1 C10 C12 C13A -157(2) . . . . ?
C11 C10 C12 C13A 84(2) . . . . ?
N1 C10 C12 C13 178.7(9) . . . . ?
C11 C10 C12 C13 59.4(12) . . . . ?
C10 C12 C13 C15 68.7(19) . . . . ?
C10 C12 C13 C14 -177.8(12) . . . . ?
C10 C12 C13A C15A 142(3) . . . . ?
C10 C12 C13A C14A -92(4) . . . . ?
Eu2 O13 C16 O14 -5(2) . . . . ?
Eu2 O13 C16 C17 172.6(12) . . . . ?
Eu2 O14 C16 O13 -7.5(17) 6_556 . . . ?
Eu2 O14 C16 C17 175.2(7) 6_556 . . . ?
O13 C16 C17 C18 -173.1(9) . . . . ?
O14 C16 C17 C18 4.4(15) . . . . ?
O13 C16 C17 C23 6.6(15) . . . . ?
O14 C16 C17 C23 -175.9(9) . . . . ?
C23 C17 C18 C19 -3.1(14) . . . . ?
C16 C17 C18 C19 176.5(9) . . . . ?
C17 C18 C19 C21 2.1(14) . . . . ?
C17 C18 C19 C20 -174.9(9) . . . . ?
Eu2 O15 C20 O16 -2.7(19) 4_566 . . . ?
Eu2 O15 C20 C19 173.3(8) 4_566 . . . ?
Eu2 O16 C20 O15 5.3(17) 3_565 . . . ?
Eu2 O16 C20 C19 -170.8(8) 3_565 . . . ?
C18 C19 C20 O15 -11.1(13) . . . . ?
C21 C19 C20 O15 172.0(9) . . . . ?
C18 C19 C20 O16 165.3(9) . . . . ?
C21 C19 C20 O16 -11.6(13) . . . . ?
C18 C19 C21 C22 0.0(15) . . . . ?
C20 C19 C21 C22 176.9(8) . . . . ?
C19 C21 C22 C23 -0.8(14) . . . . ?
C19 C21 C22 C24 -177.6(8) . . . . ?
C21 C22 C23 C17 -0.3(14) . . . . ?
C24 C22 C23 C17 176.6(9) . . . . ?
C18 C17 C23 C22 2.3(15) . . . . ?
C16 C17 C23 C22 -177.4(9) . . . . ?
C21 C22 C24 N2 84.4(11) . . . . ?
C23 C22 C24 N2 -92.5(10) . . . . ?
C25 N2 C24 C22 162.9(8) . . . . ?
C24 N2 C25 C26 -157.5(8) . . . . ?
C24 N2 C25 C27 79.6(11) . . . . ?
Eu1 O18 C26 O17 -16(2) . . . . ?
Eu1 O18 C26 C25 171.4(9) . . . . ?
N2 C25 C26 O18 118.8(11) . . . . ?
C27 C25 C26 O18 -118.3(11) . . . . ?
N2 C25 C26 O17 -53.8(13) . . . . ?
C27 C25 C26 O17 69.0(14) . . . . ?
C26 C25 C27 C28 43.4(16) . . . . ?
N2 C25 C27 C28 163.6(13) . . . . ?
C26 C25 C27 C28A 76(3) . . . . ?
N2 C25 C27 C28A -164(2) . . . . ?
C25 C27 C28 C30 -169.7(19) . . . . ?
C25 C27 C28 C29 69.0(19) . . . . ?
C25 C27 C28A C29A 74(4) . . . . ?
C25 C27 C28A C30A 173(2) . . . . ?
