#------------------------------------------------------------------------------
#$Date: 2019-03-24 01:04:21 +0200 (Sun, 24 Mar 2019) $
#$Revision: 214304 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/31/7123187.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_7123187
loop_
_publ_author_name
'He, Yonghe'
'Huang, Mengjiao'
'Deng, Xiangling'
'Sheng Xian, CHENG'
'Wong, Yan-Lung'
'Hou, Yunlong'
'Zeller, Matthias'
'He, Jun'
'Xu, Zhengtao'
_publ_section_title
;
 Janus Triple Tripods Build up a Microporous Manifold for HgCl2 and I2
 Uptake
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC00330D
_journal_year                    2019
_chemical_formula_moiety
'C51 H45 Eu N4 O8 S6, 2.5(C3 H7 N O), 0.7925(H2 O)'
_chemical_formula_sum            'C58.5 H64.08 Eu N6.5 O11.29 S6'
_chemical_formula_weight         1383.23
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-01-04 deposited with the CCDC.    2019-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 122.942(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   48.151(12)
_cell_length_b                   9.652(2)
_cell_length_c                   32.614(8)
_cell_measurement_reflns_used    9594
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4239
_cell_measurement_theta_min      2.4636
_cell_volume                     12720(5)
_computing_cell_refinement       'SAINT V8.34A (Bruker, 2016)'
_computing_data_collection       'APEX2 v2014.7-1 (Bruker, 2014)'
_computing_data_reduction        'SAINT V8.34A (Bruker, 2016)'
_computing_structure_refinement
;  
SHELXL-2018/3 (Sheldrick, 2015, 2018), 
SHELXLE Rev924 (Hübschle et al., 2011)
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD diffractometer'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0442
_diffrn_reflns_av_unetI/netI     0.0612
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_limit_h_max       52
_diffrn_reflns_limit_h_min       -60
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            37169
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.921
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.244
_diffrn_reflns_theta_min         2.381
_diffrn_source                   'sealed tube X-ray source'
_exptl_absorpt_coefficient_mu    1.245
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2014/3
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_description       block
_exptl_crystal_F_000             5679
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.988
_refine_diff_density_min         -1.049
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     922
_refine_ls_number_reflns         14491
_refine_ls_number_restraints     407
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0651
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0365P)²+35.4300P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0855
_refine_ls_wR_factor_ref         0.0968
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10999
_reflns_number_total             14491
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc00330d2.cif
_cod_data_source_block           161101TUQD_0m
_cod_original_formula_sum        'C58.50 H64.08 Eu N6.50 O11.29 S6'
_cod_database_code               7123187
_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.
;
_shelx_estimated_absorpt_t_min   0.722
_shelx_estimated_absorpt_t_max   0.907
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
C1 C 0.20380(9) 0.2423(4) 0.01909(13) 0.0233(8) Uani 1 1 d . . . . .
C2 C 0.18386(9) 0.3110(4) 0.03599(13) 0.0249(8) Uani 1 1 d . . . . .
C3 C 0.15266(10) 0.2605(4) 0.02054(15) 0.0341(9) Uani 1 1 d . . . . .
H3 H 0.144317 0.181728 -0.000255 0.041 Uiso 1 1 calc R U . . .
C4 C 0.13357(10) 0.3235(5) 0.03507(15) 0.0366(10) Uani 1 1 d . . . . .
H4 H 0.112176 0.288313 0.024018 0.044 Uiso 1 1 calc R U . . .
C5 C 0.14549(10) 0.4374(4) 0.06560(14) 0.0315(9) Uani 1 1 d . . . . .
C6 C 0.17682(11) 0.4862(5) 0.08191(17) 0.0428(11) Uani 1 1 d . . . . .
H6 H 0.185375 0.563177 0.103534 0.051 Uiso 1 1 calc R U . . .
C7 C 0.19594(10) 0.4242(4) 0.06708(15) 0.0366(10) Uani 1 1 d . . . . .
H7 H 0.217350 0.459463 0.078256 0.044 Uiso 1 1 calc R U . . .
C8 C 0.12482(10) 0.5057(4) 0.08131(15) 0.0321(9) Uani 1 1 d . . . . .
C9 C 0.09350(10) 0.5535(5) 0.04728(15) 0.0398(10) Uani 1 1 d . . . . .
H9 H 0.084782 0.541441 0.013469 0.048 Uiso 1 1 calc R U . . .
C10 C 0.07433(10) 0.6196(5) 0.06181(15) 0.0360(10) Uani 1 1 d . . . . .
C11 C 0.08702(9) 0.6344(4) 0.11187(14) 0.0259(8) Uani 1 1 d . . . . .
C12 C 0.11858(10) 0.5818(4) 0.14641(14) 0.0315(9) Uani 1 1 d D . . . .
C13 C 0.13740(10) 0.5201(5) 0.13065(15) 0.0382(10) Uani 1 1 d . . . . .
H13 H 0.159057 0.487548 0.154022 0.046 Uiso 1 1 calc R U . . .
C14 C 0.02892(18) 0.6633(10) -0.0376(2) 0.134(4) Uani 1 1 d . . . . .
H14A H 0.008208 0.707371 -0.062853 0.202 Uiso 1 1 calc R U . . .
H14B H 0.027638 0.563368 -0.043796 0.202 Uiso 1 1 calc R U . . .
H14C H 0.047388 0.702658 -0.038410 0.202 Uiso 1 1 calc R U . . .
C15 C 0.16619(13) 0.4672(7) 0.23667(18) 0.0741(19) Uani 1 1 d D . . . .
H15A H 0.158214 0.373933 0.223728 0.111 Uiso 1 1 calc R U . . .
H15B H 0.176431 0.466951 0.272125 0.111 Uiso 1 1 calc R U . . .
H15C H 0.182572 0.495887 0.229342 0.111 Uiso 1 1 calc R U . . .
C16 C 0.06736(9) 0.7017(4) 0.12946(13) 0.0251(8) Uani 1 1 d . . . . .
C17 C 0.20654(8) 1.5974(3) 0.41889(12) 0.0202(7) Uani 1 1 d . . . . .
C18 C 0.18309(8) 1.5005(4) 0.37852(12) 0.0203(7) Uani 1 1 d . . . . .
C19 C 0.19159(9) 1.3618(4) 0.38023(13) 0.0272(8) Uani 1 1 d . . . . .
H19 H 0.212842 1.330763 0.405690 0.033 Uiso 1 1 calc R U . . .
C20 C 0.16965(10) 1.2688(4) 0.34553(13) 0.0306(9) Uani 1 1 d . . . . .
H20 H 0.176116 1.174906 0.347357 0.037 Uiso 1 1 calc R U . . .
C21 C 0.13810(9) 1.3102(4) 0.30777(13) 0.0258(8) Uani 1 1 d . . . . .
C22 C 0.12994(9) 1.4500(4) 0.30505(13) 0.0305(9) Uani 1 1 d . . . . .
H22 H 0.108985 1.481920 0.278999 0.037 Uiso 1 1 calc R U . . .
C23 C 0.15224(9) 1.5428(4) 0.34017(13) 0.0279(8) Uani 1 1 d . . . . .
H23 H 0.146180 1.637550 0.337824 0.033 Uiso 1 1 calc R U . . .
C24 C 0.11523(9) 1.2038(4) 0.27194(13) 0.0272(8) Uani 1 1 d . . . . .
C25 C 0.09830(10) 1.2260(4) 0.22146(13) 0.0312(9) Uani 1 1 d . . . . .
H25 H 0.099546 1.313652 0.209276 0.037 Uiso 1 1 calc R U . . .
C26 C 0.07958(9) 1.1194(4) 0.18898(13) 0.0284(8) Uani 1 1 d . . . . .
C27 C 0.07775(9) 0.9906(4) 0.20706(13) 0.0245(8) Uani 1 1 d . . . . .
C28 C 0.09299(9) 0.9709(4) 0.25731(13) 0.0280(8) Uani 1 1 d . . . . .
C29 C 0.11217(9) 1.0770(4) 0.28953(13) 0.0297(8) Uani 1 1 d . . . . .
H29 H 0.123232 1.062613 0.323757 0.036 Uiso 1 1 calc R U . . .
C30 C 0.06864(17) 1.2977(6) 0.11437(19) 0.0773(19) Uani 1 1 d . . . . .
H30A H 0.056945 1.314513 0.079130 0.116 Uiso 1 1 calc R U . . .
H30B H 0.092562 1.297809 0.128603 0.116 Uiso 1 1 calc R U . . .
H30C H 0.063087 1.370805 0.129583 0.116 Uiso 1 1 calc R U . . .
C31 C 0.10198(14) 0.8270(5) 0.33919(16) 0.0552(13) Uani 1 1 d . . . . .
H31A H 0.088177 0.897829 0.341173 0.083 Uiso 1 1 calc R U . . .
H31B H 0.125194 0.856307 0.358518 0.083 Uiso 1 1 calc R U . . .
H31C H 0.099577 0.739149 0.352029 0.083 Uiso 1 1 calc R U . . .
C32 C 0.06225(9) 0.8687(4) 0.17321(12) 0.0232(8) Uani 1 1 d . . . . .
C33 C -0.17493(9) 0.1288(4) 0.05935(13) 0.0253(8) Uani 1 1 d . . . . .
C34 C -0.14679(9) 0.2208(4) 0.06979(13) 0.0285(8) Uani 1 1 d . . . . .
C35 C -0.11494(11) 0.1676(5) 0.09507(19) 0.0530(14) Uani 1 1 d . . . . .
H35 H -0.111441 0.072844 0.104437 0.064 Uiso 1 1 calc R U . . .
C36 C -0.08800(11) 0.2514(5) 0.10692(19) 0.0572(15) Uani 1 1 d . . . . .
H36 H -0.066470 0.212002 0.123213 0.069 Uiso 1 1 calc R U . . .
C37 C -0.09209(9) 0.3910(4) 0.09536(14) 0.0296(9) Uani 1 1 d . . . . .
C38 C -0.12392(10) 0.4423(4) 0.06989(17) 0.0430(11) Uani 1 1 d . . . . .
H38 H -0.127464 0.537599 0.061220 0.052 Uiso 1 1 calc R U . . .
C39 C -0.15092(10) 0.3581(4) 0.05662(16) 0.0409(11) Uani 1 1 d . . . . .
H39 H -0.172599 0.395985 0.038135 0.049 Uiso 1 1 calc R U . . .
C40 C -0.06271(9) 0.4797(4) 0.10876(14) 0.0286(8) Uani 1 1 d . . . . .
C41 C -0.03100(9) 0.4367(4) 0.14421(15) 0.0357(9) Uani 1 1 d . . . . .
H41 H -0.028105 0.354994 0.162387 0.043 Uiso 1 1 calc R U . . .
C42 C -0.00332(9) 0.5109(4) 0.15370(15) 0.0326(9) Uani 1 1 d . . . . .
C43 C -0.00696(9) 0.6323(4) 0.12766(13) 0.0251(8) Uani 1 1 d . . . . .
C44 C -0.03878(10) 0.6795(4) 0.09364(15) 0.0365(10) Uani 1 1 d D U . . .
C45 C -0.06620(10) 0.6036(4) 0.08478(16) 0.0399(11) Uani 1 1 d . . . . .
H45 H -0.087785 0.637509 0.061771 0.048 Uiso 1 1 calc R U . . .
C46 C 0.03383(16) 0.3368(10) 0.2336(3) 0.133(4) Uani 1 1 d . . . . .
H46A H 0.021606 0.256177 0.213547 0.200 Uiso 1 1 calc R U . . .
H46B H 0.021863 0.377712 0.247129 0.200 Uiso 1 1 calc R U . . .
H46C H 0.055900 0.307724 0.260303 0.200 Uiso 1 1 calc R U . . .
C48 C 0.02338(8) 0.7041(4) 0.13644(12) 0.0233(8) Uani 1 1 d . . . . .
Eu1 Eu 0.27413(2) 0.42974(2) 0.03647(2) 0.01629(5) Uani 1 1 d . . . . .
N1 N 0.08034(7) 0.8149(3) 0.15717(11) 0.0281(7) Uani 1 1 d . . . . .
N2 N 0.03344(7) 0.8188(3) 0.16365(11) 0.0257(7) Uani 1 1 d . . . . .
N3 N 0.03896(8) 0.6410(3) 0.11788(11) 0.0278(7) Uani 1 1 d . . . . .
O1 O 0.22915(6) 0.3024(3) 0.02535(9) 0.0275(6) Uani 1 1 d . . . . .
O2 O 0.19442(7) 0.1276(3) -0.00137(11) 0.0383(7) Uani 1 1 d . . . . .
O3 O 0.23298(6) 1.5428(2) 0.45326(8) 0.0265(6) Uani 1 1 d . . . . .
O4 O 0.19881(6) 1.7230(2) 0.41628(9) 0.0258(6) Uani 1 1 d . . . . .
O5 O -0.16937(6) 0.0259(3) 0.08697(9) 0.0317(6) Uani 1 1 d . . . . .
O6 O -0.20398(6) 0.1537(3) 0.02376(10) 0.0310(6) Uani 1 1 d . . . . .
O7 O 0.24040(7) 0.6249(3) 0.03461(11) 0.0355(7) Uani 1 1 d D . . . .
H7A H 0.2387(12) 0.649(4) 0.0574(12) 0.053 Uiso 1 1 d D U . . .
H7B H 0.2293(10) 0.679(4) 0.0117(12) 0.053 Uiso 1 1 d D U . . .
O8 O 0.28145(7) 0.4663(3) 0.11633(9) 0.0349(7) Uani 1 1 d D . . . .
N4 N 0.30548(10) 0.4737(4) 0.19799(12) 0.0513(11) Uani 1 1 d D . . . .
C49 C 0.30305(10) 0.4292(4) 0.15834(14) 0.0364(9) Uani 1 1 d D . . . .
H49 H 0.318973 0.363704 0.161940 0.044 Uiso 1 1 calc R U . . .
C50 C 0.28231(17) 0.5749(8) 0.1951(2) 0.102(3) Uani 1 1 d D . . . .
H50A H 0.294279 0.644859 0.220629 0.152 Uiso 1 1 calc R U . . .
H50B H 0.266052 0.528698 0.199615 0.152 Uiso 1 1 calc R U . . .
H50C H 0.270896 0.619827 0.162953 0.152 Uiso 1 1 calc R U . . .
C51 C 0.33295(15) 0.4318(8) 0.24681(18) 0.094(2) Uani 1 1 d D . . . .
H51A H 0.324092 0.390648 0.264873 0.141 Uiso 1 1 calc R U . . .
H51B H 0.346326 0.513231 0.264483 0.141 Uiso 1 1 calc R U . . .
H51C H 0.346768 0.363695 0.243649 0.141 Uiso 1 1 calc R U . . .
O9 O 0.2284(4) 0.7560(8) 0.1046(4) 0.087(3) Uani 0.504(6) 1 d D U P A 1
N5 N 0.2410(3) 0.9656(8) 0.1409(3) 0.072(3) Uani 0.504(6) 1 d D U P A 1
C52 C 0.2337(3) 0.8831(10) 0.1046(4) 0.074(3) Uani 0.504(6) 1 d D U P A 1
H52 H 0.232264 0.921559 0.076689 0.088 Uiso 0.504(6) 1 calc R U P A 1
C53 C 0.2414(3) 0.9146(13) 0.1830(4) 0.089(4) Uani 0.504(6) 1 d D U P A 1
H53A H 0.247344 0.990244 0.206418 0.133 Uiso 0.504(6) 1 calc R U P A 1
H53B H 0.219391 0.879347 0.172525 0.133 Uiso 0.504(6) 1 calc R U P A 1
H53C H 0.257660 0.839847 0.198475 0.133 Uiso 0.504(6) 1 calc R U P A 1
C54 C 0.2482(5) 1.1147(11) 0.1405(6) 0.091(4) Uani 0.504(6) 1 d D U P A 1
H54A H 0.253116 1.158003 0.170953 0.137 Uiso 0.504(6) 1 calc R U P A 1
H54B H 0.267397 1.124591 0.137732 0.137 Uiso 0.504(6) 1 calc R U P A 1
H54C H 0.228994 1.160079 0.112675 0.137 Uiso 0.504(6) 1 calc R U P A 1
O13 O 0.2782(5) 1.159(3) 0.2826(8) 0.166(10) Uani 0.295(13) 1 d D U P B 1
H13A H 0.285300 1.223961 0.304375 0.248 Uiso 0.295(13) 1 d DR U P B 1
H13B H 0.277933 1.086882 0.296611 0.248 Uiso 0.295(13) 1 d DR U P B 1
O9B O 0.2109(3) 1.2989(15) 0.2031(4) 0.222(7) Uani 0.496(6) 1 d D U P A 2
N5B N 0.2406(3) 1.1719(10) 0.1821(5) 0.174(6) Uani 0.496(6) 1 d D U P A 2
C52B C 0.2127(3) 1.2332(15) 0.1709(5) 0.201(8) Uani 0.496(6) 1 d D U P A 2
H52B H 0.193877 1.227939 0.138478 0.241 Uiso 0.496(6) 1 calc R U P A 2
C53B C 0.2638(4) 1.200(2) 0.2339(6) 0.216(9) Uani 0.496(6) 1 d D U P A 2
H53D H 0.285242 1.157493 0.244802 0.323 Uiso 0.496(6) 1 calc R U P A 2
H53E H 0.266688 1.300604 0.239152 0.323 Uiso 0.496(6) 1 calc R U P A 2
H53F H 0.255220 1.161730 0.252676 0.323 Uiso 0.496(6) 1 calc R U P A 2
C54B C 0.2486(6) 1.0944(18) 0.1525(7) 0.149(8) Uani 0.496(6) 1 d D U P A 2
H54D H 0.271682 1.063398 0.172563 0.223 Uiso 0.496(6) 1 calc R U P A 2
H54E H 0.234016 1.013569 0.138819 0.223 Uiso 0.496(6) 1 calc R U P A 2
H54F H 0.245665 1.152981 0.125874 0.223 Uiso 0.496(6) 1 calc R U P A 2
O12 O 0.2243(4) 0.7964(14) 0.0848(5) 0.101(4) Uani 0.496(6) 1 d D U P A 2
H12A H 0.218(2) 0.841(5) 0.0579(15) 0.152 Uiso 0.496(6) 1 d D U P A 2
H12B H 0.2057(11) 0.796(16) 0.084(2) 0.152 Uiso 0.496(6) 1 d D U P A 2
O10 O -0.0176(4) 1.0869(10) 0.2004(4) 0.130(4) Uani 0.5 1 d D U P C -1
N6 N -0.0002(9) 0.9020(8) 0.2507(6) 0.078(2) Uani 0.5 1 d D U P C -1
C55 C -0.0113(8) 0.9597(14) 0.2081(7) 0.092(5) Uani 0.5 1 d D U P C -1
H55 H -0.014668 0.902944 0.181962 0.111 Uiso 0.5 1 calc R U P C -1
C56 C 0.0041(11) 0.7532(9) 0.2538(11) 0.107(6) Uani 0.5 1 d D U P C -1
H56A H -0.017680 0.708275 0.236933 0.160 Uiso 0.5 1 calc R U P C -1
H56B H 0.016797 0.725049 0.288241 0.160 Uiso 0.5 1 calc R U P C -1
H56C H 0.015937 0.725597 0.238494 0.160 Uiso 0.5 1 calc R U P C -1
C57 C 0.0164(9) 0.982(2) 0.2960(8) 0.124(9) Uani 0.5 1 d D U P C -1
H57A H 0.032374 1.045646 0.296235 0.186 Uiso 0.5 1 calc R U P C -1
H57B H 0.027915 0.919361 0.323967 0.186 Uiso 0.5 1 calc R U P C -1
H57C H -0.000108 1.035959 0.298081 0.186 Uiso 0.5 1 calc R U P C -1
O11 O 0.1701(4) 1.1535(13) 0.1596(5) 0.178(5) Uani 0.5 1 d D U P D 1
N7 N 0.1444(4) 0.9986(15) 0.0982(5) 0.150(4) Uani 0.5 1 d D U P D 1
C58 C 0.1668(4) 1.0933(14) 0.1237(5) 0.174(6) Uani 0.5 1 d D U P D 1
H58 H 0.181577 1.117471 0.113993 0.208 Uiso 0.5 1 calc R U P D 1
C59 C 0.1192(5) 0.972(2) 0.1080(8) 0.166(7) Uani 0.5 1 d D U P D 1
H59A H 0.098982 0.940250 0.078049 0.250 Uiso 0.5 1 calc R U P D 1
H59B H 0.114432 1.057409 0.119420 0.250 Uiso 0.5 1 calc R U P D 1
H59C H 0.126835 0.900491 0.133249 0.250 Uiso 0.5 1 calc R U P D 1
C60 C 0.1431(6) 0.923(2) 0.0581(8) 0.163(7) Uani 0.5 1 d D U P D 1
H60A H 0.121046 0.882420 0.036859 0.245 Uiso 0.5 1 calc R U P D 1
H60B H 0.159723 0.848963 0.071553 0.245 Uiso 0.5 1 calc R U P D 1
H60C H 0.147649 0.986834 0.039075 0.245 Uiso 0.5 1 calc R U P D 1
O11B O 0.1862(3) 0.8160(12) 0.1276(4) 0.141(4) Uani 0.5 1 d D U P E 2
N7B N 0.1346(3) 0.9012(15) 0.0789(5) 0.131(4) Uani 0.5 1 d D U P E 2
C58B C 0.1599(4) 0.8608(19) 0.1216(5) 0.139(5) Uani 0.5 1 d D U P E 2
H58B H 0.158081 0.865916 0.149104 0.167 Uiso 0.5 1 calc R U P E 2
C59B C 0.1358(5) 0.867(2) 0.0365(6) 0.152(6) Uani 0.5 1 d D U P E 2
H59D H 0.121169 0.788127 0.019368 0.228 Uiso 0.5 1 calc R U P E 2
H59E H 0.158484 0.843125 0.047034 0.228 Uiso 0.5 1 calc R U P E 2
H59F H 0.128388 0.947120 0.014501 0.228 Uiso 0.5 1 calc R U P E 2
C60B C 0.1047(4) 0.968(2) 0.0705(7) 0.151(6) Uani 0.5 1 d D U P E 2
H60D H 0.091099 0.999377 0.036454 0.226 Uiso 0.5 1 calc R U P E 2
H60E H 0.110879 1.048025 0.092333 0.226 Uiso 0.5 1 calc R U P E 2
H60F H 0.092121 0.902003 0.076970 0.226 Uiso 0.5 1 calc R U P E 2
S6 S -0.04225(10) 0.8053(6) 0.05029(17) 0.0574(16) Uani 0.430(8) 1 d D U P F 1
C47 C -0.0454(5) 0.9550(16) 0.0783(6) 0.121(7) Uani 0.430(8) 1 d D U P F 1
H47A H -0.043967 1.037422 0.062040 0.182 Uiso 0.430(8) 1 calc R U P F 1
H47B H -0.027330 0.956173 0.112876 0.182 Uiso 0.430(8) 1 calc R U P F 1
H47C H -0.066673 0.954692 0.075699 0.182 Uiso 0.430(8) 1 calc R U P F 1
S6B S -0.04789(7) 0.8506(3) 0.06688(15) 0.0526(11) Uani 0.570(8) 1 d D U P F 2
C47B C -0.0317(3) 0.8388(15) 0.0296(4) 0.105(4) Uani 0.570(8) 1 d D U P F 2
H47D H -0.040116 0.754788 0.009564 0.157 Uiso 0.570(8) 1 calc R U P F 2
H47E H -0.007488 0.835025 0.050237 0.157 Uiso 0.570(8) 1 calc R U P F 2
H47F H -0.038540 0.920227 0.008228 0.157 Uiso 0.570(8) 1 calc R U P F 2
S1 S 0.03524(4) 0.6926(2) 0.01989(5) 0.0824(6) Uani 1 1 d . . . . .
S2 S 0.13205(3) 0.58622(14) 0.20883(4) 0.0509(3) Uani 1 1 d D . . . .
S3 S 0.05673(4) 1.13654(13) 0.12472(4) 0.0572(4) Uani 1 1 d . . . . .
S4 S 0.08919(3) 0.80449(12) 0.27679(4) 0.0484(3) Uani 1 1 d . . . . .
S5 S 0.03757(3) 0.45806(17) 0.19786(6) 0.0739(5) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
S S 0.1246 0.1234 '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
O2 C1 O1 122.2(3) . .
O2 C1 C2 118.2(3) . .
O1 C1 C2 119.6(3) . .
O2 C1 Eu1 48.52(17) . 7
O1 C1 Eu1 74.18(19) . 7
C2 C1 Eu1 164.2(2) . 7
C7 C2 C3 118.9(3) . .
C7 C2 C1 121.4(3) . .
C3 C2 C1 119.7(3) . .
C4 C3 C2 120.7(4) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C5 C4 C3 120.3(4) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 119.2(3) . .
C4 C5 C8 120.3(4) . .
C6 C5 C8 120.5(4) . .
C5 C6 C7 120.8(4) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C2 C7 C6 120.1(4) . .
C2 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C9 C8 C13 119.9(4) . .
C9 C8 C5 120.8(4) . .
C13 C8 C5 119.3(4) . .
C8 C9 C10 121.0(4) . .
C8 C9 H9 119.5 . .
C10 C9 H9 119.5 . .
C9 C10 C11 119.3(4) . .
C9 C10 S1 122.8(3) . .
C11 C10 S1 117.8(3) . .
C10 C11 C12 119.5(3) . .
C10 C11 C16 121.6(3) . .
C12 C11 C16 118.9(3) . .
C13 C12 C11 119.7(4) . .
C13 C12 S2 121.9(3) . .
C11 C12 S2 118.3(3) . .
C8 C13 C12 120.7(4) . .
C8 C13 H13 119.7 . .
C12 C13 H13 119.7 . .
S1 C14 H14A 109.5 . .
S1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
S1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
S2 C15 H15A 109.5 . .
S2 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
S2 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N1 C16 N3 125.3(3) . .
N1 C16 C11 116.9(3) . .
N3 C16 C11 117.7(3) . .
O4 C17 O3 125.4(3) . .
O4 C17 C18 119.1(3) . .
O3 C17 C18 115.5(3) . .
C23 C18 C19 117.9(3) . .
C23 C18 C17 122.2(3) . .
C19 C18 C17 119.9(3) . .
C20 C19 C18 121.0(3) . .
C20 C19 H19 119.5 . .
C18 C19 H19 119.5 . .
C19 C20 C21 121.2(3) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C22 C21 C20 117.8(3) . .
C22 C21 C24 123.6(3) . .
C20 C21 C24 118.6(3) . .
C23 C22 C21 120.4(3) . .
C23 C22 H22 119.8 . .
C21 C22 H22 119.8 . .
C18 C23 C22 121.5(3) . .
C18 C23 H23 119.2 . .
C22 C23 H23 119.2 . .
C29 C24 C25 119.7(3) . .
C29 C24 C21 118.7(3) . .
C25 C24 C21 121.6(3) . .
C26 C25 C24 120.1(4) . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 C27 119.8(3) . .
C25 C26 S3 124.0(3) . .
C27 C26 S3 116.2(3) . .
C28 C27 C26 120.1(3) . .
C28 C27 C32 119.3(3) . .
C26 C27 C32 120.4(3) . .
C29 C28 C27 119.6(3) . .
C29 C28 S4 123.3(3) . .
C27 C28 S4 116.9(3) . .
C24 C29 C28 120.6(3) . .
C24 C29 H29 119.7 . .
C28 C29 H29 119.7 . .
S3 C30 H30A 109.5 . .
S3 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
S3 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
S4 C31 H31A 109.5 . .
S4 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
S4 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
N2 C32 N1 125.6(3) . .
N2 C32 C27 119.4(3) . .
N1 C32 C27 114.9(3) . .
O6 C33 O5 120.2(3) . .
O6 C33 C34 120.6(3) . .
O5 C33 C34 119.2(3) . .
O6 C33 Eu1 61.77(18) . 3_445
O5 C33 Eu1 58.80(18) . 3_445
C34 C33 Eu1 174.0(3) . 3_445
C39 C34 C35 118.0(4) . .
C39 C34 C33 122.8(4) . .
C35 C34 C33 119.2(4) . .
C34 C35 C36 120.8(4) . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C37 C36 C35 121.1(4) . .
C37 C36 H36 119.5 . .
C35 C36 H36 119.5 . .
C38 C37 C36 117.4(4) . .
C38 C37 C40 122.3(4) . .
C36 C37 C40 120.3(4) . .
C37 C38 C39 121.6(4) . .
C37 C38 H38 119.2 . .
C39 C38 H38 119.2 . .
C34 C39 C38 121.0(4) . .
C34 C39 H39 119.5 . .
C38 C39 H39 119.5 . .
C41 C40 C45 118.0(4) . .
C41 C40 C37 120.6(4) . .
C45 C40 C37 121.4(4) . .
C40 C41 C42 121.3(4) . .
C40 C41 H41 119.4 . .
C42 C41 H41 119.4 . .
C41 C42 C43 120.5(4) . .
C41 C42 S5 122.7(3) . .
C43 C42 S5 116.8(3) . .
C44 C43 C42 118.5(3) . .
C44 C43 C48 122.5(3) . .
C42 C43 C48 118.9(3) . .
C43 C44 C45 120.0(4) . .
C43 C44 S6 116.0(3) . .
C45 C44 S6 121.2(3) . .
C43 C44 S6B 123.8(3) . .
C45 C44 S6B 115.2(3) . .
C40 C45 C44 121.6(4) . .
C40 C45 H45 119.2 . .
C44 C45 H45 119.2 . .
S5 C46 H46A 109.5 . .
S5 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
S5 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
N2 C48 N3 126.0(3) . .
N2 C48 C43 118.4(3) . .
N3 C48 C43 115.5(3) . .
O1 Eu1 O3 75.64(9) . 6_575
O1 Eu1 O2 125.03(9) . 7
O3 Eu1 O2 80.22(10) 6_575 7
O1 Eu1 O4 78.37(9) . 4_535
O3 Eu1 O4 130.69(8) 6_575 4_535
O2 Eu1 O4 81.56(10) 7 4_535
O1 Eu1 O8 80.02(9) . .
O3 Eu1 O8 138.91(9) 6_575 .
O2 Eu1 O8 140.58(10) 7 .
O4 Eu1 O8 74.12(9) 4_535 .
O1 Eu1 O7 81.71(10) . .
O3 Eu1 O7 75.82(9) 6_575 .
O2 Eu1 O7 137.73(10) 7 .
O4 Eu1 O7 139.81(9) 4_535 .
O8 Eu1 O7 68.24(9) . .
O1 Eu1 O5 153.04(8) . 3
O3 Eu1 O5 131.27(8) 6_575 3
O2 Eu1 O5 69.75(9) 7 3
O4 Eu1 O5 82.46(8) 4_535 3
O8 Eu1 O5 76.59(9) . 3
O7 Eu1 O5 101.61(10) . 3
O1 Eu1 O6 148.66(8) . 3
O3 Eu1 O6 83.08(8) 6_575 3
O2 Eu1 O6 72.15(9) 7 3
O4 Eu1 O6 132.72(8) 4_535 3
O8 Eu1 O6 102.60(9) . 3
O7 Eu1 O6 70.82(10) . 3
O5 Eu1 O6 51.97(8) 3 3
O1 Eu1 C33 167.85(9) . 3
O3 Eu1 C33 106.81(10) 6_575 3
O2 Eu1 C33 66.96(10) 7 3
O4 Eu1 C33 107.28(10) 4_535 3
O8 Eu1 C33 91.07(10) . 3
O7 Eu1 C33 87.33(11) . 3
O5 Eu1 C33 26.04(9) 3 3
O6 Eu1 C33 26.04(9) 3 3
O1 Eu1 O1 78.16(8) . 7
O3 Eu1 O1 66.37(8) 6_575 7
O2 Eu1 O1 46.89(8) 7 7
O4 Eu1 O1 67.72(8) 4_535 7
O8 Eu1 O1 138.98(8) . 7
O7 Eu1 O1 140.43(9) . 7
O5 Eu1 O1 111.72(8) 3 7
O6 Eu1 O1 114.02(8) 3 7
C33 Eu1 O1 113.85(9) 3 7
O1 Eu1 C1 102.40(9) . 7
O3 Eu1 C1 73.85(9) 6_575 7
O2 Eu1 C1 22.76(9) 7 7
O4 Eu1 C1 71.84(9) 4_535 7
O8 Eu1 C1 144.52(9) . 7
O7 Eu1 C1 147.18(9) . 7
O5 Eu1 C1 89.27(10) 3 7
O6 Eu1 C1 93.26(9) 3 7
C33 Eu1 C1 89.66(10) 3 7
O1 Eu1 C1 24.27(8) 7 7
O1 Eu1 Eu1 44.51(6) . 7
O3 Eu1 Eu1 64.69(6) 6_575 7
O2 Eu1 Eu1 80.53(7) 7 7
O4 Eu1 Eu1 67.32(6) 4_535 7
O8 Eu1 Eu1 116.25(7) . 7
O7 Eu1 Eu1 118.07(8) . 7
O5 Eu1 Eu1 140.32(7) 3 7
O6 Eu1 Eu1 140.81(6) 3 7
C33 Eu1 Eu1 147.47(7) 3 7
O1 Eu1 Eu1 33.65(5) 7 7
C1 Eu1 Eu1 57.89(7) 7 7
C16 N1 C32 114.6(3) . .
C48 N2 C32 114.2(3) . .
C16 N3 C48 114.2(3) . .
C1 O1 Eu1 175.7(2) . .
C1 O1 Eu1 81.6(2) . 7
Eu1 O1 Eu1 101.84(8) . 7
C1 O2 Eu1 108.7(2) . 7
C17 O3 Eu1 141.9(2) . 6_576
C17 O4 Eu1 135.6(2) . 4_565
C33 O5 Eu1 95.2(2) . 3_445
C33 O6 Eu1 92.2(2) . 3_445
Eu1 O7 H7A 126(3) . .
Eu1 O7 H7B 127(3) . .
H7A O7 H7B 108(4) . .
C49 O8 Eu1 132.9(3) . .
C49 N4 C50 120.4(4) . .
C49 N4 C51 121.7(4) . .
C50 N4 C51 117.7(4) . .
O8 C49 N4 124.6(4) . .
O8 C49 H49 117.7 . .
N4 C49 H49 117.7 . .
N4 C50 H50A 109.5 . .
N4 C50 H50B 109.5 . .
H50A C50 H50B 109.5 . .
N4 C50 H50C 109.5 . .
H50A C50 H50C 109.5 . .
H50B C50 H50C 109.5 . .
N4 C51 H51A 109.5 . .
N4 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
N4 C51 H51C 109.5 . .
H51A C51 H51C 109.5 . .
H51B C51 H51C 109.5 . .
C52 N5 C53 120.7(8) . .
C52 N5 C54 122.1(8) . .
C53 N5 C54 117.1(8) . .
O9 C52 N5 123.4(8) . .
O9 C52 H52 118.3 . .
N5 C52 H52 118.3 . .
N5 C53 H53A 109.5 . .
N5 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
N5 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
N5 C54 H54A 109.5 . .
N5 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
N5 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
H13A O13 H13B 105.5 . .
C52B N5B C54B 130.9(11) . .
C52B N5B C53B 105.0(8) . .
C54B N5B C53B 124.1(11) . .
O9B C52B N5B 120.8(9) . .
O9B C52B H52B 119.6 . .
N5B C52B H52B 119.6 . .
N5B C53B H53D 109.5 . .
N5B C53B H53E 109.5 . .
H53D C53B H53E 109.5 . .
N5B C53B H53F 109.5 . .
H53D C53B H53F 109.5 . .
H53E C53B H53F 109.5 . .
N5B C54B H54D 109.5 . .
N5B C54B H54E 109.5 . .
H54D C54B H54E 109.5 . .
N5B C54B H54F 109.5 . .
H54D C54B H54F 109.5 . .
H54E C54B H54F 109.5 . .
H12A O12 H12B 101(3) . .
C55 N6 C56 117.2(12) . .
C55 N6 C57 122.0(11) . .
C56 N6 C57 118.5(11) . .
O10 C55 N6 122.8(10) . .
O10 C55 H55 118.6 . .
N6 C55 H55 118.6 . .
N6 C56 H56A 109.5 . .
N6 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
N6 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
N6 C57 H57A 109.5 . .
N6 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
N6 C57 H57C 109.5 . .
H57A C57 H57C 109.5 . .
H57B C57 H57C 109.5 . .
C58 N7 C59 119.1(10) . .
C58 N7 C60 122.4(11) . .
C59 N7 C60 118.4(10) . .
O11 C58 N7 124.4(10) . .
O11 C58 H58 117.8 . .
N7 C58 H58 117.8 . .
N7 C59 H59A 109.5 . .
N7 C59 H59B 109.5 . .
H59A C59 H59B 109.5 . .
N7 C59 H59C 109.5 . .
H59A C59 H59C 109.5 . .
H59B C59 H59C 109.5 . .
N7 C60 H60A 109.5 . .
N7 C60 H60B 109.5 . .
H60A C60 H60B 109.5 . .
N7 C60 H60C 109.5 . .
H60A C60 H60C 109.5 . .
H60B C60 H60C 109.5 . .
C58B N7B C59B 116.6(10) . .
C58B N7B C60B 125.5(11) . .
C59B N7B C60B 117.7(10) . .
O11B C58B N7B 123.0(9) . .
O11B C58B H58B 118.5 . .
N7B C58B H58B 118.5 . .
N7B C59B H59D 109.5 . .
N7B C59B H59E 109.5 . .
H59D C59B H59E 109.5 . .
N7B C59B H59F 109.5 . .
H59D C59B H59F 109.5 . .
H59E C59B H59F 109.5 . .
N7B C60B H60D 109.5 . .
N7B C60B H60E 109.5 . .
H60D C60B H60E 109.5 . .
N7B C60B H60F 109.5 . .
H60D C60B H60F 109.5 . .
H60E C60B H60F 109.5 . .
C47 S6 C44 98.2(7) . .
S6 C47 H47A 109.5 . .
S6 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
S6 C47 H47C 109.5 . .
H47A C47 H47C 109.5 . .
H47B C47 H47C 109.5 . .
C47B S6B C44 101.0(5) . .
S6B C47B H47D 109.5 . .
S6B C47B H47E 109.5 . .
H47D C47B H47E 109.5 . .
S6B C47B H47F 109.5 . .
H47D C47B H47F 109.5 . .
H47E C47B H47F 109.5 . .
C14 S1 C10 104.8(3) . .
C12 S2 C15 103.2(2) . .
C30 S3 C26 104.7(2) . .
C28 S4 C31 105.0(2) . .
C46 S5 C42 105.4(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O2 1.243(4) .
C1 O1 1.264(4) .
C1 C2 1.497(5) .
C1 Eu1 3.044(3) 7
C2 C7 1.386(5) .
C2 C3 1.387(5) .
C3 C4 1.384(5) .
C3 H3 0.9500 .
C4 C5 1.381(6) .
C4 H4 0.9500 .
C5 C6 1.382(5) .
C5 C8 1.497(5) .
C6 C7 1.387(5) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C9 1.378(6) .
C8 C13 1.384(5) .
C9 C10 1.399(5) .
C9 H9 0.9500 .
C10 C11 1.405(5) .
C10 S1 1.763(4) .
C11 C12 1.405(5) .
C11 C16 1.496(5) .
C12 C13 1.395(5) .
C12 S2 1.769(4) .
C13 H13 0.9500 .
C14 S1 1.753(6) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 S2 1.795(5) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 N1 1.337(5) .
C16 N3 1.339(4) .
C17 O4 1.258(4) .
C17 O3 1.266(4) .
C17 C18 1.505(5) .
C18 C23 1.385(5) .
C18 C19 1.392(5) .
C19 C20 1.379(5) .
C19 H19 0.9500 .
C20 C21 1.396(5) .
C20 H20 0.9500 .
C21 C22 1.394(5) .
C21 C24 1.495(5) .
C22 C23 1.390(5) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C24 C29 1.392(5) .
C24 C25 1.401(5) .
C25 C26 1.398(5) .
C25 H25 0.9500 .
C26 C27 1.400(5) .
C26 S3 1.767(4) .
C27 C28 1.397(5) .
C27 C32 1.504(5) .
C28 C29 1.397(5) .
C28 S4 1.773(4) .
C29 H29 0.9500 .
C30 S3 1.753(5) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 S4 1.790(4) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 N2 1.336(4) .
C32 N1 1.341(4) .
C33 O6 1.263(4) .
C33 O5 1.268(4) .
C33 C34 1.497(5) .
C33 Eu1 2.876(4) 3_445
C34 C39 1.373(6) .
C34 C35 1.386(6) .
C35 C36 1.393(6) .
C35 H35 0.9500 .
C36 C37 1.385(6) .
C36 H36 0.9500 .
C37 C38 1.378(5) .
C37 C40 1.501(5) .
C38 C39 1.388(5) .
C38 H38 0.9500 .
C39 H39 0.9500 .
C40 C41 1.386(5) .
C40 C45 1.388(5) .
C41 C42 1.392(5) .
C41 H41 0.9500 .
C42 C43 1.402(5) .
C42 S5 1.768(4) .
C43 C44 1.392(5) .
C43 C48 1.497(5) .
C44 C45 1.396(5) .
C44 S6 1.801(5) .
C44 S6B 1.807(5) .
C45 H45 0.9500 .
C46 S5 1.728(6) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C48 N2 1.334(4) .
C48 N3 1.340(4) .
Eu1 O1 2.340(2) .
Eu1 O3 2.348(2) 6_575
Eu1 O2 2.408(3) 7
Eu1 O4 2.423(2) 4_535
Eu1 O8 2.457(3) .
Eu1 O7 2.466(3) .
Eu1 O5 2.470(3) 3
Eu1 O6 2.536(2) 3
Eu1 O1 2.960(3) 7
Eu1 Eu1 4.1333(7) 7
O7 H7A 0.825(19) .
O7 H7B 0.825(19) .
O8 C49 1.240(4) .
N4 C49 1.306(5) .
N4 C50 1.446(6) .
N4 C51 1.469(6) .
C49 H49 0.9500 .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
O9 C52 1.254(8) .
N5 C52 1.307(8) .
N5 C53 1.448(8) .
N5 C54 1.483(9) .
C52 H52 0.9500 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
O13 H13A 0.8642 .
O13 H13B 0.8406 .
O9B C52B 1.269(9) .
N5B C52B 1.323(9) .
N5B C54B 1.430(10) .
N5B C53B 1.460(9) .
C52B H52B 0.9500 .
C53B H53D 0.9800 .
C53B H53E 0.9800 .
C53B H53F 0.9800 .
C54B H54D 0.9800 .
C54B H54E 0.9800 .
C54B H54F 0.9800 .
O12 H12A 0.872(18) .
O12 H12B 0.88(2) .
O10 C55 1.257(9) .
N6 C55 1.310(9) .
N6 C56 1.446(8) .
N6 C57 1.462(10) .
C55 H55 0.9500 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
C57 H57C 0.9800 .
O11 C58 1.239(9) .
N7 C58 1.309(9) .
N7 C59 1.441(9) .
N7 C60 1.469(10) .
C58 H58 0.9500 .
C59 H59A 0.9800 .
C59 H59B 0.9800 .
C59 H59C 0.9800 .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C60 H60C 0.9800 .
O11B C58B 1.251(9) .
N7B C58B 1.314(9) .
N7B C59B 1.451(9) .
N7B C60B 1.462(9) .
C58B H58B 0.9500 .
C59B H59D 0.9800 .
C59B H59E 0.9800 .
C59B H59F 0.9800 .
C60B H60D 0.9800 .
C60B H60E 0.9800 .
C60B H60F 0.9800 .
S6 C47 1.760(14) .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
S6B C47B 1.770(11) .
C47B H47D 0.9800 .
C47B H47E 0.9800 .
C47B H47F 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 C1 C2 C7 167.4(4) . .
O1 C1 C2 C7 -13.6(5) . .
Eu1 C1 C2 C7 -162.4(7) 7 .
O2 C1 C2 C3 -12.4(5) . .
O1 C1 C2 C3 166.7(4) . .
Eu1 C1 C2 C3 17.8(11) 7 .
C7 C2 C3 C4 1.3(6) . .
C1 C2 C3 C4 -179.0(4) . .
C2 C3 C4 C5 -0.5(7) . .
C3 C4 C5 C6 -0.9(6) . .
C3 C4 C5 C8 180.0(4) . .
C4 C5 C6 C7 1.5(7) . .
C8 C5 C6 C7 -179.3(4) . .
C3 C2 C7 C6 -0.6(6) . .
C1 C2 C7 C6 179.6(4) . .
C5 C6 C7 C2 -0.7(7) . .
C4 C5 C8 C9 -55.9(6) . .
C6 C5 C8 C9 124.9(5) . .
C4 C5 C8 C13 123.8(5) . .
C6 C5 C8 C13 -55.4(6) . .
C13 C8 C9 C10 1.5(7) . .
C5 C8 C9 C10 -178.8(4) . .
C8 C9 C10 C11 -1.5(7) . .
C8 C9 C10 S1 175.8(4) . .
C9 C10 C11 C12 -0.4(6) . .
S1 C10 C11 C12 -177.9(3) . .
C9 C10 C11 C16 -178.8(4) . .
S1 C10 C11 C16 3.8(5) . .
C10 C11 C12 C13 2.3(6) . .
C16 C11 C12 C13 -179.3(4) . .
C10 C11 C12 S2 -173.6(3) . .
C16 C11 C12 S2 4.8(5) . .
C9 C8 C13 C12 0.4(7) . .
C5 C8 C13 C12 -179.3(4) . .
C11 C12 C13 C8 -2.3(6) . .
S2 C12 C13 C8 173.4(3) . .
C10 C11 C16 N1 -120.0(4) . .
C12 C11 C16 N1 61.7(5) . .
C10 C11 C16 N3 62.6(5) . .
C12 C11 C16 N3 -115.8(4) . .
O4 C17 C18 C23 -4.5(5) . .
O3 C17 C18 C23 175.5(3) . .
O4 C17 C18 C19 178.5(3) . .
O3 C17 C18 C19 -1.5(5) . .
C23 C18 C19 C20 -1.7(6) . .
C17 C18 C19 C20 175.5(3) . .
C18 C19 C20 C21 -0.5(6) . .
C19 C20 C21 C22 2.6(6) . .
C19 C20 C21 C24 -178.7(4) . .
C20 C21 C22 C23 -2.5(6) . .
C24 C21 C22 C23 178.8(4) . .
C19 C18 C23 C22 1.7(6) . .
C17 C18 C23 C22 -175.4(4) . .
C21 C22 C23 C18 0.4(6) . .
C22 C21 C24 C29 -135.5(4) . .
C20 C21 C24 C29 45.9(5) . .
C22 C21 C24 C25 47.8(6) . .
C20 C21 C24 C25 -130.8(4) . .
C29 C24 C25 C26 -2.7(6) . .
C21 C24 C25 C26 173.9(4) . .
C24 C25 C26 C27 0.1(6) . .
C24 C25 C26 S3 178.9(3) . .
C25 C26 C27 C28 3.7(6) . .
S3 C26 C27 C28 -175.2(3) . .
C25 C26 C27 C32 -170.4(4) . .
S3 C26 C27 C32 10.7(5) . .
C26 C27 C28 C29 -5.0(6) . .
C32 C27 C28 C29 169.3(4) . .
C26 C27 C28 S4 179.7(3) . .
C32 C27 C28 S4 -6.1(5) . .
C25 C24 C29 C28 1.5(6) . .
C21 C24 C29 C28 -175.3(4) . .
C27 C28 C29 C24 2.4(6) . .
S4 C28 C29 C24 177.4(3) . .
C28 C27 C32 N2 74.8(5) . .
C26 C27 C32 N2 -111.0(4) . .
C28 C27 C32 N1 -101.7(4) . .
C26 C27 C32 N1 72.5(5) . .
O6 C33 C34 C39 26.6(6) . .
O5 C33 C34 C39 -152.7(4) . .
O6 C33 C34 C35 -155.4(4) . .
O5 C33 C34 C35 25.3(6) . .
C39 C34 C35 C36 0.3(7) . .
C33 C34 C35 C36 -177.8(4) . .
C34 C35 C36 C37 2.3(8) . .
C35 C36 C37 C38 -2.7(8) . .
C35 C36 C37 C40 179.6(4) . .
C36 C37 C38 C39 0.6(7) . .
C40 C37 C38 C39 178.2(4) . .
C35 C34 C39 C38 -2.5(7) . .
C33 C34 C39 C38 175.6(4) . .
C37 C38 C39 C34 2.1(7) . .
C38 C37 C40 C41 163.6(4) . .
C36 C37 C40 C41 -18.8(6) . .
C38 C37 C40 C45 -19.2(6) . .
C36 C37 C40 C45 158.4(5) . .
C45 C40 C41 C42 -3.6(6) . .
C37 C40 C41 C42 173.6(4) . .
C40 C41 C42 C43 0.5(6) . .
C40 C41 C42 S5 -178.9(3) . .
C41 C42 C43 C44 2.5(6) . .
S5 C42 C43 C44 -178.1(3) . .
C41 C42 C43 C48 -175.9(3) . .
S5 C42 C43 C48 3.6(5) . .
C42 C43 C44 C45 -2.4(6) . .
C48 C43 C44 C45 176.0(4) . .
C42 C43 C44 S6 -163.7(4) . .
C48 C43 C44 S6 14.6(6) . .
C42 C43 C44 S6B 166.2(4) . .
C48 C43 C44 S6B -15.5(6) . .
C41 C40 C45 C44 3.7(6) . .
C37 C40 C45 C44 -173.5(4) . .
C43 C44 C45 C40 -0.8(7) . .
S6 C44 C45 C40 159.5(5) . .
S6B C44 C45 C40 -170.3(4) . .
C44 C43 C48 N2 78.1(5) . .
C42 C43 C48 N2 -103.6(4) . .
C44 C43 C48 N3 -105.3(4) . .
C42 C43 C48 N3 73.0(4) . .
N3 C16 N1 C32 -0.8(6) . .
C11 C16 N1 C32 -178.1(3) . .
N2 C32 N1 C16 -0.1(6) . .
C27 C32 N1 C16 176.2(3) . .
N3 C48 N2 C32 -1.9(5) . .
C43 C48 N2 C32 174.3(3) . .
N1 C32 N2 C48 1.3(5) . .
C27 C32 N2 C48 -174.8(3) . .
N1 C16 N3 C48 0.4(6) . .
C11 C16 N3 C48 177.6(3) . .
N2 C48 N3 C16 1.1(6) . .
C43 C48 N3 C16 -175.1(3) . .
O2 C1 O1 Eu1 7.4(3) . 7
C2 C1 O1 Eu1 -171.6(3) . 7
O1 C1 O2 Eu1 -9.6(4) . 7
C2 C1 O2 Eu1 169.5(3) . 7
O4 C17 O3 Eu1 25.7(6) . 6_576
C18 C17 O3 Eu1 -154.3(3) . 6_576
O3 C17 O4 Eu1 5.5(6) . 4_565
C18 C17 O4 Eu1 -174.5(2) . 4_565
O6 C33 O5 Eu1 7.3(4) . 3_445
C34 C33 O5 Eu1 -173.4(3) . 3_445
O5 C33 O6 Eu1 -7.1(4) . 3_445
C34 C33 O6 Eu1 173.6(3) . 3_445
Eu1 O8 C49 N4 170.2(3) . .
C50 N4 C49 O8 -0.9(8) . .
C51 N4 C49 O8 -176.1(5) . .
C53 N5 C52 O9 -4(2) . .
C54 N5 C52 O9 177.9(16) . .
C54B N5B C52B O9B -179.3(4) . .
C53B N5B C52B O9B 0.1(3) . .
C56 N6 C55 O10 176(3) . .
C57 N6 C55 O10 -22(6) . .
C59 N7 C58 O11 8(3) . .
C60 N7 C58 O11 -175.4(19) . .
C59B N7B C58B O11B 12(3) . .
C60B N7B C58B O11B -173.0(18) . .
C43 C44 S6 C47 -100.4(8) . .
C45 C44 S6 C47 98.5(8) . .
C43 C44 S6B C47B 69.5(6) . .
C45 C44 S6B C47B -121.4(6) . .
C9 C10 S1 C14 -0.8(6) . .
C11 C10 S1 C14 176.5(5) . .
C13 C12 S2 C15 -12.3(4) . .
C11 C12 S2 C15 163.5(4) . .
C25 C26 S3 C30 9.0(5) . .
C27 C26 S3 C30 -172.2(4) . .
C29 C28 S4 C31 18.7(4) . .
C27 C28 S4 C31 -166.2(3) . .
C41 C42 S5 C46 -15.7(5) . .
C43 C42 S5 C46 164.8(5) . .
