# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2024

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Eu-MOF-T
_database_code_depnum_ccdc_archive 'CCDC 1923215'
loop_
_audit_author_name
_audit_author_address
'Chuanlei Zhang'
;Anqing Normal University
China
;
_audit_update_record             
;
2024-05-11 deposited with the CCDC.	2024-07-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H34 Eu O11'
_chemical_formula_weight         794.59

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'
'-x, -y, -z'

_cell_length_a                   9.4948(10)
_cell_length_b                   15.2825(16)
_cell_length_c                   18.4502(19)
_cell_angle_alpha                108.805(2)
_cell_angle_beta                 95.426(2)
_cell_angle_gamma                93.829(2)
_cell_volume                     2509.5(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5990
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      28.06

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      1.052
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.052
_exptl_crystal_F_000             802
_exptl_transmission_factor_min   0.686
_exptl_transmission_factor_max   0.753
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    1.291
_shelx_estimated_absorpt_T_min   0.686
_shelx_estimated_absorpt_T_max   0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   MO
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17864
_diffrn_reflns_av_unetI/netI     0.0615
_diffrn_reflns_av_R_equivalents  0.0301
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.511
_diffrn_reflns_theta_max         28.285
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             12263
_reflns_number_gt                10367
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0765P)²+0.8500P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12263
_refine_ls_number_parameters     436
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0429
_refine_ls_wR_factor_ref         0.1170
_refine_ls_wR_factor_gt          0.1118
_refine_ls_goodness_of_fit_ref   0.922
_refine_ls_restrained_S_all      0.922
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
O3 O 0.0916(3) 0.9762(2) 0.07560(14) 0.0403(6) Uani 1 1 d . . . . .
O10 O 0.1657(3) 1.1222(2) 1.0146(2) 0.0590(8) Uani 1 1 d . . . . .
H10A H 0.093521 1.122509 1.038680 0.089 Uiso 1 1 d R U . . .
H10B H 0.140251 1.127469 0.970920 0.089 Uiso 1 1 d R U . . .
C15 C 0.6872(7) 1.1619(6) 0.4056(5) 0.097(2) Uani 1 1 d . . . . .
H15A H 0.784465 1.155380 0.420652 0.145 Uiso 1 1 calc R U . . .
H15B H 0.680820 1.222167 0.400519 0.145 Uiso 1 1 calc R U . . .
H15C H 0.653579 1.114810 0.357065 0.145 Uiso 1 1 calc R U . . .
O4 O -0.0945(3) 1.0525(2) 0.11019(14) 0.0418(6) Uani 1 1 d . . . . .
C24 C 0.0225(4) 1.0253(3) 0.12588(19) 0.0294(7) Uani 1 1 d . . . . .
C21 C 0.0810(4) 1.0495(3) 0.20887(19) 0.0307(7) Uani 1 1 d . . . . .
C20 C 0.1972(4) 1.0097(3) 0.2300(2) 0.0390(8) Uani 1 1 d . . . . .
H20 H 0.242079 0.969245 0.192163 0.047 Uiso 1 1 calc R U . . .
C22 C 0.0176(4) 1.1131(3) 0.26633(19) 0.0343(8) Uani 1 1 d . . . . .
H22 H -0.059580 1.141485 0.252795 0.041 Uiso 1 1 calc R U . . .
C23 C 0.0701(4) 1.1338(3) 0.3436(2) 0.0389(8) Uani 1 1 d . . . . .
H23 H 0.028992 1.177164 0.381303 0.047 Uiso 1 1 calc R U . . .
C19 C 0.2477(4) 1.0291(3) 0.3070(2) 0.0422(9) Uani 1 1 d . . . . .
H19 H 0.325642 1.001090 0.320120 0.051 Uiso 1 1 calc R U . . .
C18 C 0.1837(4) 1.0903(3) 0.3654(2) 0.0371(8) Uani 1 1 d . . . . .
C11 C 0.2267(4) 1.1046(3) 0.4485(2) 0.0385(8) Uani 1 1 d . . . . .
C12 C 0.3676(4) 1.1068(3) 0.4795(2) 0.0471(10) Uani 1 1 d . . . . .
C10 C 0.1226(4) 1.1122(3) 0.4979(2) 0.0431(9) Uani 1 1 d . . . . .
H10 H 0.028250 1.111192 0.478488 0.052 Uiso 1 1 calc R U . . .
C25 C 0.4932(4) 0.8586(2) 0.86715(19) 0.0324(7) Uani 1 1 d . . . . .
C34 C 0.5684(6) 0.5230(3) 0.4442(3) 0.0600(14) Uani 1 1 d . . . . .
C36 C 0.7556(12) 0.6280(5) 0.3249(5) 0.136(4) Uani 1 1 d . . . . .
H36A H 0.839126 0.595603 0.322293 0.204 Uiso 1 1 calc R U . . .
H36B H 0.780710 0.690127 0.325378 0.204 Uiso 1 1 calc R U . . .
H36C H 0.687434 0.596063 0.280766 0.204 Uiso 1 1 calc R U . . .
C35 C 0.6924(10) 0.6316(4) 0.3969(4) 0.107(3) Uani 1 1 d . . . . .
H35A H 0.765683 0.651407 0.440858 0.128 Uiso 1 1 calc R U . . .
H35B H 0.621228 0.675315 0.406058 0.128 Uiso 1 1 calc R U . . .
C32 C 0.4922(5) 0.5673(3) 0.5724(2) 0.0519(12) Uani 1 1 d . . . . .
C33 C 0.5599(6) 0.5888(3) 0.5162(3) 0.0622(15) Uani 1 1 d . . . . .
H33 H 0.601079 0.649185 0.526645 0.075 Uiso 1 1 calc R U . . .
O2 O 0.6247(3) 1.1146(2) 0.92669(15) 0.0398(6) Uani 1 1 d . . . . .
Eu1 Eu 0.27344(2) 0.97096(2) 0.99542(2) 0.02562(6) Uani 1 1 d . . . . .
O9 O 0.1317(4) 0.8104(2) 0.9590(2) 0.0598(9) Uani 1 1 d . . . . .
H9A H 0.090130 0.804826 1.002978 0.090 Uiso 1 1 d R U . . .
H9B H 0.194589 0.762986 0.942882 0.090 Uiso 1 1 d R U . . .
O8 O 0.3938(3) 1.08799(18) 1.10656(14) 0.0376(6) Uani 1 1 d . . . . .
O5 O 0.3819(3) 0.86237(18) 0.89909(14) 0.0400(6) Uani 1 1 d . . . . .
O1 O 0.4116(3) 1.05802(19) 0.93957(15) 0.0421(6) Uani 1 1 d . . . . .
O11 O 0.6310(5) 0.5434(2) 0.3869(2) 0.0884(16) Uani 1 1 d . . . . .
O7 O 0.0548(3) 1.1344(3) 0.62613(17) 0.0617(9) Uani 1 1 d . . . . .
O6 O 0.4719(4) 1.1035(4) 0.43361(19) 0.0900(15) Uani 1 1 d . . . . .
C1 C 0.4937(4) 1.0921(2) 0.90382(18) 0.0311(7) Uani 1 1 d . . . . .
C3 C 0.3044(4) 1.0611(3) 0.7919(2) 0.0428(9) Uani 1 1 d . . . . .
H3 H 0.248108 1.027630 0.814523 0.051 Uiso 1 1 calc R U . . .
C26 C 0.4929(4) 0.7832(2) 0.79045(19) 0.0341(8) Uani 1 1 d . . . . .
C5 C 0.3370(4) 1.1188(3) 0.6858(2) 0.0371(8) Uani 1 1 d . . . . .
C6 C 0.4660(4) 1.1656(3) 0.7262(2) 0.0416(9) Uani 1 1 d . . . . .
H6 H 0.520132 1.202356 0.705364 0.050 Uiso 1 1 calc R U . . .
C8 C 0.2936(4) 1.1177(3) 0.6055(2) 0.0365(8) Uani 1 1 d . . . . .
C2 C 0.4365(4) 1.1050(3) 0.82983(18) 0.0313(7) Uani 1 1 d . . . . .
C27 C 0.3691(4) 0.7255(3) 0.7552(2) 0.0445(10) Uani 1 1 d . . . . .
H27 H 0.285860 0.734351 0.778317 0.053 Uiso 1 1 calc R U . . .
C29 C 0.4909(5) 0.6403(3) 0.6490(2) 0.0467(10) Uani 1 1 d . . . . .
C4 C 0.2562(5) 1.0671(3) 0.7203(2) 0.0469(10) Uani 1 1 d . . . . .
H4 H 0.168661 1.036164 0.694917 0.056 Uiso 1 1 calc R U . . .
C9 C 0.1547(4) 1.1212(3) 0.5755(2) 0.0415(9) Uani 1 1 d . . . . .
C7 C 0.5152(4) 1.1585(3) 0.7971(2) 0.0405(9) Uani 1 1 d . . . . .
H7 H 0.602090 1.190003 0.822898 0.049 Uiso 1 1 calc R U . . .
C31 C 0.6146(4) 0.7700(3) 0.7548(2) 0.0468(10) Uani 1 1 d . . . . .
H31 H 0.697964 0.808393 0.777708 0.056 Uiso 1 1 calc R U . . .
C28 C 0.3694(5) 0.6543(3) 0.6855(2) 0.0516(11) Uani 1 1 d . . . . .
H28 H 0.286287 0.615394 0.662889 0.062 Uiso 1 1 calc R U . . .
C13 C 0.3997(4) 1.1113(3) 0.5559(2) 0.0437(9) Uani 1 1 d . . . . .
H13 H 0.493612 1.110049 0.574780 0.052 Uiso 1 1 calc R U . . .
C30 C 0.6133(5) 0.6990(3) 0.6844(3) 0.0533(12) Uani 1 1 d . . . . .
H30 H 0.696012 0.691081 0.660800 0.064 Uiso 1 1 calc R U . . .
C16 C -0.0805(5) 1.1578(5) 0.6027(3) 0.0676(15) Uani 1 1 d . . . . .
H16A H -0.138782 1.102445 0.569191 0.081 Uiso 1 1 calc R U . . .
H16B H -0.069215 1.200988 0.574475 0.081 Uiso 1 1 calc R U . . .
C14 C 0.6024(9) 1.1522(7) 0.4627(6) 0.135(4) Uani 1 1 d . . . . .
H14A H 0.653666 1.121159 0.493628 0.162 Uiso 1 1 calc R U . . .
H14B H 0.588926 1.213638 0.496561 0.162 Uiso 1 1 calc R U . . .
C17 C -0.1495(7) 1.2007(6) 0.6720(4) 0.098(2) Uani 1 1 d . . . . .
H17A H -0.142947 1.163247 0.704899 0.147 Uiso 1 1 calc R U . . .
H17B H -0.247734 1.204890 0.656979 0.147 Uiso 1 1 calc R U . . .
H17C H -0.102787 1.261789 0.699192 0.147 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
O3 C24 1.259(4) . ?
O3 Eu1 2.366(2) 1_554 ?
O10 Eu1 2.524(3) . ?
O10 H10A 0.8500 . ?
O10 H10B 0.8501 . ?
C15 C14 1.424(9) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
O4 C24 1.254(4) . ?
O4 Eu1 2.378(3) 2_576 ?
C24 C21 1.495(4) . ?
C21 C20 1.379(5) . ?
C21 C22 1.402(5) . ?
C20 C19 1.384(5) . ?
C20 H20 0.9300 . ?
C22 C23 1.391(5) . ?
C22 H22 0.9300 . ?
C23 C18 1.397(5) . ?
C23 H23 0.9300 . ?
C19 C18 1.398(5) . ?
C19 H19 0.9300 . ?
C18 C11 1.490(5) . ?
C11 C10 1.393(5) . ?
C11 C12 1.398(6) . ?
C12 O6 1.356(5) . ?
C12 C13 1.393(5) . ?
C10 C9 1.396(5) . ?
C10 H10 0.9300 . ?
C25 O5 1.253(4) . ?
C25 O8 1.258(4) 2_677 ?
C25 C26 1.509(4) . ?
C34 O11 1.370(5) . ?
C34 C32 1.385(6) 2_666 ?
C34 C33 1.396(5) . ?
C36 C35 1.495(8) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C35 O11 1.380(6) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C32 C33 1.385(6) . ?
C32 C29 1.493(5) . ?
C33 H33 0.9300 . ?
O2 C1 1.262(4) . ?
O2 Eu1 2.414(3) 2_677 ?
Eu1 O1 2.336(3) . ?
Eu1 O8 2.373(2) . ?
Eu1 O5 2.376(2) . ?
Eu1 O9 2.571(3) . ?
Eu1 C1 3.152(3) 2_677 ?
Eu1 Eu1 4.3106(5) 2_677 ?
O9 H9A 0.9600 . ?
O9 H9B 0.9600 . ?
O1 C1 1.256(4) . ?
O7 C9 1.372(5) . ?
O7 C16 1.422(6) . ?
O6 C14 1.367(8) . ?
C1 C2 1.498(4) . ?
C3 C2 1.390(5) . ?
C3 C4 1.390(5) . ?
C3 H3 0.9300 . ?
C26 C31 1.377(5) . ?
C26 C27 1.390(5) . ?
C5 C4 1.398(5) . ?
C5 C6 1.391(5) . ?
C5 C8 1.493(5) . ?
C6 C7 1.387(5) . ?
C6 H6 0.9300 . ?
C8 C9 1.392(5) . ?
C8 C13 1.411(5) . ?
C2 C7 1.383(5) . ?
C27 C28 1.392(5) . ?
C27 H27 0.9300 . ?
C29 C28 1.384(6) . ?
C29 C30 1.386(6) . ?
C4 H4 0.9300 . ?
C7 H7 0.9300 . ?
C31 C30 1.396(5) . ?
C31 H31 0.9300 . ?
C28 H28 0.9300 . ?
C13 H13 0.9300 . ?
C30 H30 0.9300 . ?
C16 C17 1.472(8) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?

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
C24 O3 Eu1 147.6(3) . 1_554 ?
Eu1 O10 H10A 109.3 . . ?
Eu1 O10 H10B 109.4 . . ?
H10A O10 H10B 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C24 O4 Eu1 140.5(2) . 2_576 ?
O4 C24 O3 123.5(3) . . ?
O4 C24 C21 118.3(3) . . ?
O3 C24 C21 118.1(3) . . ?
C20 C21 C22 119.1(3) . . ?
C20 C21 C24 120.7(3) . . ?
C22 C21 C24 120.2(3) . . ?
C19 C20 C21 120.8(3) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C23 C22 C21 120.0(3) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C18 121.0(3) . . ?
C22 C23 H23 119.5 . . ?
C18 C23 H23 119.5 . . ?
C20 C19 C18 121.1(4) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C19 C18 C23 118.0(3) . . ?
C19 C18 C11 121.9(4) . . ?
C23 C18 C11 120.1(3) . . ?
C10 C11 C12 117.5(3) . . ?
C10 C11 C18 119.3(3) . . ?
C12 C11 C18 123.1(3) . . ?
O6 C12 C13 120.7(4) . . ?
O6 C12 C11 118.8(3) . . ?
C13 C12 C11 120.5(4) . . ?
C9 C10 C11 122.4(4) . . ?
C9 C10 H10 118.8 . . ?
C11 C10 H10 118.8 . . ?
O5 C25 O8 125.8(3) . 2_677 ?
O5 C25 C26 117.6(3) . . ?
O8 C25 C26 116.6(3) 2_677 . ?
O11 C34 C32 117.0(3) . 2_666 ?
O11 C34 C33 123.3(4) . . ?
C32 C34 C33 119.7(4) 2_666 . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O11 C35 C36 107.6(5) . . ?
O11 C35 H35A 110.2 . . ?
C36 C35 H35A 110.2 . . ?
O11 C35 H35B 110.2 . . ?
C36 C35 H35B 110.2 . . ?
H35A C35 H35B 108.5 . . ?
C33 C32 C34 118.0(3) . 2_666 ?
C33 C32 C29 119.5(4) . . ?
C34 C32 C29 122.5(4) 2_666 . ?
C32 C33 C34 122.4(4) . . ?
C32 C33 H33 118.8 . . ?
C34 C33 H33 118.8 . . ?
C1 O2 Eu1 114.3(2) . 2_677 ?
O1 Eu1 O3 144.39(10) . 1_556 ?
O1 Eu1 O8 78.77(10) . . ?
O3 Eu1 O8 83.12(9) 1_556 . ?
O1 Eu1 O5 73.68(9) . . ?
O3 Eu1 O5 140.42(10) 1_556 . ?
O8 Eu1 O5 126.04(9) . . ?
O1 Eu1 O4 87.13(10) . 2_576 ?
O3 Eu1 O4 88.68(9) 1_556 2_576 ?
O8 Eu1 O4 142.05(10) . 2_576 ?
O5 Eu1 O4 81.84(9) . 2_576 ?
O1 Eu1 O2 122.83(10) . 2_677 ?
O3 Eu1 O2 81.13(9) 1_556 2_677 ?
O8 Eu1 O2 75.95(10) . 2_677 ?
O5 Eu1 O2 81.46(10) . 2_677 ?
O4 Eu1 O2 139.21(10) 2_576 2_677 ?
O1 Eu1 O10 72.95(11) . . ?
O3 Eu1 O10 72.08(11) 1_556 . ?
O8 Eu1 O10 69.84(11) . . ?
O5 Eu1 O10 138.39(11) . . ?
O4 Eu1 O10 72.37(11) 2_576 . ?
O2 Eu1 O10 138.39(11) 2_677 . ?
O1 Eu1 O9 139.66(10) . . ?
O3 Eu1 O9 69.58(10) 1_556 . ?
O8 Eu1 O9 139.15(10) . . ?
O5 Eu1 O9 71.15(10) . . ?
O4 Eu1 O9 69.01(11) 2_576 . ?
O2 Eu1 O9 70.41(11) 2_677 . ?
O10 Eu1 O9 125.11(11) . . ?
O1 Eu1 C1 102.09(10) . 2_677 ?
O3 Eu1 C1 96.63(9) 1_556 2_677 ?
O8 Eu1 C1 63.29(9) . 2_677 ?
O5 Eu1 C1 78.32(9) . 2_677 ?
O4 Eu1 C1 154.66(10) 2_576 2_677 ?
O2 Eu1 C1 21.40(9) 2_677 2_677 ?
O10 Eu1 C1 132.81(10) . 2_677 ?
O9 Eu1 C1 89.61(11) . 2_677 ?
O1 Eu1 Eu1 47.46(7) . 2_677 ?
O3 Eu1 Eu1 141.91(6) 1_556 2_677 ?
O8 Eu1 Eu1 62.43(6) . 2_677 ?
O5 Eu1 Eu1 64.69(6) . 2_677 ?
O4 Eu1 Eu1 128.32(7) 2_576 2_677 ?
O2 Eu1 Eu1 75.41(6) 2_677 2_677 ?
O10 Eu1 Eu1 107.38(7) . 2_677 ?
O9 Eu1 Eu1 127.04(8) . 2_677 ?
C1 Eu1 Eu1 54.73(7) 2_677 2_677 ?
Eu1 O9 H9A 109.5 . . ?
Eu1 O9 H9B 109.3 . . ?
H9A O9 H9B 109.5 . . ?
C25 O8 Eu1 143.9(2) 2_677 . ?
C25 O5 Eu1 138.8(2) . . ?
C1 O1 Eu1 170.3(2) . . ?
C34 O11 C35 121.7(4) . . ?
C9 O7 C16 118.2(3) . . ?
C12 O6 C14 120.9(5) . . ?
O2 C1 O1 122.8(3) . . ?
O2 C1 C2 117.7(3) . . ?
O1 C1 C2 119.5(3) . . ?
O2 C1 Eu1 44.26(17) . 2_677 ?
O1 C1 Eu1 82.1(2) . 2_677 ?
C2 C1 Eu1 151.6(2) . 2_677 ?
C2 C3 C4 120.2(4) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C31 C26 C27 119.1(3) . . ?
C31 C26 C25 120.9(3) . . ?
C27 C26 C25 119.9(3) . . ?
C4 C5 C6 117.7(3) . . ?
C4 C5 C8 121.6(3) . . ?
C6 C5 C8 120.5(3) . . ?
C7 C6 C5 121.1(4) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C9 C8 C13 117.3(3) . . ?
C9 C8 C5 124.5(3) . . ?
C13 C8 C5 118.2(3) . . ?
C7 C2 C3 118.9(3) . . ?
C7 C2 C1 120.9(3) . . ?
C3 C2 C1 120.2(3) . . ?
C26 C27 C28 120.1(4) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C28 C29 C30 117.9(3) . . ?
C28 C29 C32 122.3(4) . . ?
C30 C29 C32 119.7(4) . . ?
C5 C4 C3 121.2(4) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
O7 C9 C8 116.5(3) . . ?
O7 C9 C10 123.1(4) . . ?
C8 C9 C10 120.4(4) . . ?
C6 C7 C2 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C2 C7 H7 119.6 . . ?
C26 C31 C30 120.3(4) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C29 C28 C27 121.3(4) . . ?
C29 C28 H28 119.3 . . ?
C27 C28 H28 119.3 . . ?
C12 C13 C8 121.8(4) . . ?
C12 C13 H13 119.1 . . ?
C8 C13 H13 119.1 . . ?
C29 C30 C31 121.2(4) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 H30 119.4 . . ?
O7 C16 C17 108.6(5) . . ?
O7 C16 H16A 110.0 . . ?
C17 C16 H16A 110.0 . . ?
O7 C16 H16B 110.0 . . ?
C17 C16 H16B 110.0 . . ?
H16A C16 H16B 108.3 . . ?
O6 C14 C15 114.3(8) . . ?
O6 C14 H14A 108.7 . . ?
C15 C14 H14A 108.7 . . ?
O6 C14 H14B 108.7 . . ?
C15 C14 H14B 108.7 . . ?
H14A C14 H14B 107.6 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?

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 O4 C24 O3 10.1(6) 2_576 . . . ?
Eu1 O4 C24 C21 -167.7(3) 2_576 . . . ?
Eu1 O3 C24 O4 94.8(5) 1_554 . . . ?
Eu1 O3 C24 C21 -87.4(5) 1_554 . . . ?
O4 C24 C21 C20 169.8(4) . . . . ?
O3 C24 C21 C20 -8.1(5) . . . . ?
O4 C24 C21 C22 -9.9(5) . . . . ?
O3 C24 C21 C22 172.1(3) . . . . ?
C22 C21 C20 C19 2.5(6) . . . . ?
C24 C21 C20 C19 -177.3(4) . . . . ?
C20 C21 C22 C23 -1.4(6) . . . . ?
C24 C21 C22 C23 178.4(3) . . . . ?
C21 C22 C23 C18 -1.6(6) . . . . ?
C21 C20 C19 C18 -0.6(7) . . . . ?
C20 C19 C18 C23 -2.2(6) . . . . ?
C20 C19 C18 C11 173.6(4) . . . . ?
C22 C23 C18 C19 3.3(6) . . . . ?
C22 C23 C18 C11 -172.5(4) . . . . ?
C19 C18 C11 C10 -139.3(4) . . . . ?
C23 C18 C11 C10 36.4(6) . . . . ?
C19 C18 C11 C12 37.7(6) . . . . ?
C23 C18 C11 C12 -146.6(4) . . . . ?
C10 C11 C12 O6 -177.3(5) . . . . ?
C18 C11 C12 O6 5.7(7) . . . . ?
C10 C11 C12 C13 3.4(7) . . . . ?
C18 C11 C12 C13 -173.6(4) . . . . ?
C12 C11 C10 C9 -0.3(7) . . . . ?
C18 C11 C10 C9 176.8(4) . . . . ?
C34 C32 C33 C34 0.1(10) 2_666 . . . ?
C29 C32 C33 C34 178.1(6) . . . . ?
O11 C34 C33 C32 177.9(6) . . . . ?
C32 C34 C33 C32 -0.1(10) 2_666 . . . ?
O8 C25 O5 Eu1 19.8(6) 2_677 . . . ?
C26 C25 O5 Eu1 -160.5(3) . . . . ?
C32 C34 O11 C35 178.9(7) 2_666 . . . ?
C33 C34 O11 C35 0.8(10) . . . . ?
C36 C35 O11 C34 177.5(7) . . . . ?
C13 C12 O6 C14 -36.3(10) . . . . ?
C11 C12 O6 C14 144.4(7) . . . . ?
Eu1 O2 C1 O1 26.4(4) 2_677 . . . ?
Eu1 O2 C1 C2 -152.2(2) 2_677 . . . ?
O5 C25 C26 C31 -174.8(4) . . . . ?
O8 C25 C26 C31 5.0(6) 2_677 . . . ?
O5 C25 C26 C27 4.6(6) . . . . ?
O8 C25 C26 C27 -175.7(4) 2_677 . . . ?
C4 C5 C6 C7 2.3(7) . . . . ?
C8 C5 C6 C7 -172.5(4) . . . . ?
C4 C5 C8 C9 42.1(6) . . . . ?
C6 C5 C8 C9 -143.3(4) . . . . ?
C4 C5 C8 C13 -137.0(4) . . . . ?
C6 C5 C8 C13 37.6(6) . . . . ?
C4 C3 C2 C7 3.4(6) . . . . ?
C4 C3 C2 C1 -174.9(4) . . . . ?
O2 C1 C2 C7 -14.4(5) . . . . ?
O1 C1 C2 C7 167.0(4) . . . . ?
Eu1 C1 C2 C7 -57.6(7) 2_677 . . . ?
O2 C1 C2 C3 164.0(4) . . . . ?
O1 C1 C2 C3 -14.6(5) . . . . ?
Eu1 C1 C2 C3 120.7(5) 2_677 . . . ?
C31 C26 C27 C28 1.0(7) . . . . ?
C25 C26 C27 C28 -178.3(4) . . . . ?
C33 C32 C29 C28 135.3(6) . . . . ?
C34 C32 C29 C28 -46.8(8) 2_666 . . . ?
C33 C32 C29 C30 -42.2(7) . . . . ?
C34 C32 C29 C30 135.7(6) 2_666 . . . ?
C6 C5 C4 C3 -1.3(7) . . . . ?
C8 C5 C4 C3 173.5(4) . . . . ?
C2 C3 C4 C5 -1.6(7) . . . . ?
C16 O7 C9 C8 167.0(5) . . . . ?
C16 O7 C9 C10 -12.6(7) . . . . ?
C13 C8 C9 O7 -175.3(4) . . . . ?
C5 C8 C9 O7 5.6(6) . . . . ?
C13 C8 C9 C10 4.3(6) . . . . ?
C5 C8 C9 C10 -174.8(4) . . . . ?
C11 C10 C9 O7 175.9(4) . . . . ?
C11 C10 C9 C8 -3.7(7) . . . . ?
C5 C6 C7 C2 -0.5(7) . . . . ?
C3 C2 C7 C6 -2.4(6) . . . . ?
C1 C2 C7 C6 176.0(4) . . . . ?
C27 C26 C31 C30 -0.3(7) . . . . ?
C25 C26 C31 C30 179.0(4) . . . . ?
C30 C29 C28 C27 0.4(8) . . . . ?
C32 C29 C28 C27 -177.1(5) . . . . ?
C26 C27 C28 C29 -1.1(7) . . . . ?
O6 C12 C13 C8 178.0(5) . . . . ?
C11 C12 C13 C8 -2.7(7) . . . . ?
C9 C8 C13 C12 -1.2(7) . . . . ?
C5 C8 C13 C12 177.9(4) . . . . ?
C28 C29 C30 C31 0.3(8) . . . . ?
C32 C29 C30 C31 177.9(5) . . . . ?
C26 C31 C30 C29 -0.4(8) . . . . ?
C9 O7 C16 C17 -159.9(5) . . . . ?
C12 O6 C14 C15 -164.4(7) . . . . ?

_refine_diff_density_max         2.087
_refine_diff_density_min         -2.155
_refine_diff_density_rms         0.121




####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Eu-MOF-S
_database_code_depnum_ccdc_archive 'CCDC 2354711'
loop_
_audit_author_name
_audit_author_address
'Chuanlei Zhang'
;Nanjing University
China
;
_audit_update_record             
;
2024-05-11 deposited with the CCDC.	2024-07-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H34 Eu O11'
_chemical_formula_weight         794.59

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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'
'-x, -y, -z'

_cell_length_a                   9.57710(10)
_cell_length_b                   11.4691(2)
_cell_length_c                   18.8419(3)
_cell_angle_alpha                104.5040(10)
_cell_angle_beta                 99.9680(10)
_cell_angle_gamma                101.6730(10)
_cell_volume                     1906.77(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5170
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      26.21

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_F_000             802
_exptl_transmission_factor_min   0.619
_exptl_transmission_factor_max   0.688
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.220
_exptl_absorpt_coefficient_mu    1.698
_shelx_estimated_absorpt_T_min   0.730
_shelx_estimated_absorpt_T_max   0.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   MO
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22697
_diffrn_reflns_av_unetI/netI     0.0549
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.898
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             7625
_reflns_number_gt                6313
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 Structure factors included contributions from the .fab file. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0412P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7625
_refine_ls_number_parameters     436
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0831
_refine_ls_wR_factor_gt          0.0794
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
C25 C 0.4137(4) 0.8097(4) 0.3800(2) 0.0339(9) Uani 1 1 d . . . . .
O5 O 0.5417(3) 0.7975(3) 0.39375(14) 0.0409(7) Uani 1 1 d . . . . .
Eu1 Eu 0.71170(2) 0.96472(2) 0.49582(2) 0.03044(7) Uani 1 1 d . . . . .
O1 O 0.6226(3) 1.0710(3) 0.41196(15) 0.0416(7) Uani 1 1 d . . . . .
O2 O 0.4323(3) 1.1439(3) 0.43855(15) 0.0411(7) Uani 1 1 d . . . . .
O8 O 0.6329(3) 1.1127(3) 0.57721(15) 0.0418(7) Uani 1 1 d . . . . .
O3 O -0.0889(3) 0.9945(3) -0.40059(14) 0.0393(7) Uani 1 1 d . . . . .
O10 O 0.7721(4) 0.7501(4) 0.4949(2) 0.0909(12) Uani 1 1 d . . . . .
H10A H 0.855455 0.763889 0.524441 0.136 Uiso 1 1 d R U . . .
H10B H 0.706935 0.706589 0.509861 0.136 Uiso 1 1 d R U . . .
O4 O 0.1297(3) 1.0797(3) -0.41638(14) 0.0442(7) Uani 1 1 d . . . . .
O6 O 0.1481(3) 1.2082(3) 0.11687(15) 0.0558(8) Uani 1 1 d . . . . .
O7 O 0.5296(3) 1.1455(3) -0.06995(14) 0.0468(7) Uani 1 1 d . . . . .
C21 C 0.1114(4) 1.0699(3) -0.29420(19) 0.0286(8) Uani 1 1 d . . . . .
O11 O -0.1729(3) 0.5163(3) 0.10352(15) 0.0480(7) Uani 1 1 d . . . . .
C22 C 0.2534(4) 1.1433(3) -0.2614(2) 0.0325(9) Uani 1 1 d . . . . .
H22 H 0.309281 1.175447 -0.291150 0.039 Uiso 1 1 calc R U . . .
C18 C 0.2332(4) 1.1240(3) -0.13880(19) 0.0294(8) Uani 1 1 d . . . . .
C13 C 0.4789(4) 1.1786(3) 0.0546(2) 0.0340(9) Uani 1 1 d . . . . .
H13 H 0.575513 1.181536 0.075195 0.041 Uiso 1 1 calc R U . . .
C23 C 0.3134(4) 1.1695(3) -0.1849(2) 0.0330(9) Uani 1 1 d . . . . .
H23 H 0.409052 1.218488 -0.164343 0.040 Uiso 1 1 calc R U . . .
C24 C 0.0465(4) 1.0455(3) -0.3765(2) 0.0316(9) Uani 1 1 d . . . . .
C1 C 0.5217(4) 1.1218(4) 0.3984(2) 0.0341(9) Uani 1 1 d . . . . .
C32 C 0.1485(4) 0.5312(3) 0.0262(2) 0.0333(9) Uani 1 1 d . . . . .
H32 H 0.249908 0.551494 0.043607 0.040 Uiso 1 1 calc R U . . .
C10 C 0.1975(4) 1.1704(4) -0.0074(2) 0.0373(9) Uani 1 1 d . . . . .
H10 H 0.101208 1.168569 -0.027899 0.045 Uiso 1 1 calc R U . . .
C12 C 0.4372(4) 1.1605(3) -0.0226(2) 0.0325(9) Uani 1 1 d . . . . .
C30 C 0.0939(4) 0.6903(4) 0.2083(2) 0.0343(9) Uani 1 1 d . . . . .
H30 H 0.005881 0.708757 0.191994 0.041 Uiso 1 1 calc R U . . .
C26 C 0.3114(4) 0.7296(3) 0.30542(19) 0.0303(8) Uani 1 1 d . . . . .
C4 C 0.5409(4) 1.1344(4) 0.2017(2) 0.0384(9) Uani 1 1 d . . . . .
H4 H 0.591293 1.105147 0.165936 0.046 Uiso 1 1 calc R U . . .
C27 C 0.3517(4) 0.6337(4) 0.2597(2) 0.0392(10) Uani 1 1 d . . . . .
H27 H 0.438303 0.613780 0.276774 0.047 Uiso 1 1 calc R U . . .
C8 C 0.3845(4) 1.1926(3) 0.1030(2) 0.0312(8) Uani 1 1 d . . . . .
C34 C -0.0897(4) 0.5102(3) 0.0508(2) 0.0323(9) Uani 1 1 d . . . . .
C20 C 0.0296(4) 1.0243(3) -0.2484(2) 0.0335(9) Uani 1 1 d . . . . .
H20 H -0.066431 0.976294 -0.269053 0.040 Uiso 1 1 calc R U . . .
C5 C 0.4347(4) 1.1944(3) 0.1829(2) 0.0307(8) Uani 1 1 d . . . . .
C2 C 0.5016(4) 1.1576(3) 0.3259(2) 0.0340(9) Uani 1 1 d . . . . .
C11 C 0.2906(4) 1.1517(3) -0.05558(19) 0.0299(8) Uani 1 1 d . . . . .
C9 C 0.2413(4) 1.1918(4) 0.0708(2) 0.0355(9) Uani 1 1 d . . . . .
C28 C 0.2642(4) 0.5672(4) 0.1888(2) 0.0377(9) Uani 1 1 d . . . . .
H28 H 0.290918 0.500979 0.159420 0.045 Uiso 1 1 calc R U . . .
C3 C 0.5748(4) 1.1163(4) 0.2723(2) 0.0355(9) Uani 1 1 d . . . . .
H3 H 0.647431 1.076152 0.283181 0.043 Uiso 1 1 calc R U . . .
C19 C 0.0902(4) 1.0500(4) -0.1719(2) 0.0348(9) Uani 1 1 d . . . . .
H19 H 0.034675 1.017250 -0.142224 0.042 Uiso 1 1 calc R U . . .
C31 C 0.1807(4) 0.7557(4) 0.2798(2) 0.0347(9) Uani 1 1 d . . . . .
H31 H 0.150458 0.817705 0.310769 0.042 Uiso 1 1 calc R U . . .
C33 C 0.0623(4) 0.5437(3) 0.0789(2) 0.0317(9) Uani 1 1 d . . . . .
C29 C 0.1366(4) 0.5979(3) 0.1607(2) 0.0312(8) Uani 1 1 d . . . . .
C16 C 0.6760(4) 1.1459(4) -0.0398(2) 0.0380(9) Uani 1 1 d . . . . .
H16A H 0.677450 1.077952 -0.017926 0.046 Uiso 1 1 calc R U . . .
H16B H 0.725550 1.223830 -0.000897 0.046 Uiso 1 1 calc R U . . .
C14 C 0.0066(4) 1.2208(4) 0.0897(2) 0.0447(10) Uani 1 1 d . . . . .
H14A H -0.055871 1.141322 0.056783 0.054 Uiso 1 1 calc R U . . .
H14B H 0.012397 1.280547 0.061188 0.054 Uiso 1 1 calc R U . . .
C15 C -0.0555(5) 1.2645(4) 0.1559(3) 0.0548(12) Uani 1 1 d . . . . .
H15A H -0.059639 1.205359 0.184093 0.082 Uiso 1 1 calc R U . . .
H15B H -0.152516 1.272362 0.138643 0.082 Uiso 1 1 calc R U . . .
H15C H 0.005868 1.344027 0.187538 0.082 Uiso 1 1 calc R U . . .
C7 C 0.4029(5) 1.2245(4) 0.3097(2) 0.0466(11) Uani 1 1 d . . . . .
H7 H 0.355870 1.256256 0.346542 0.056 Uiso 1 1 calc R U . . .
C36 C -0.3858(6) 0.5046(5) 0.1485(3) 0.0702(15) Uani 1 1 d . . . . .
H36A H -0.364023 0.439224 0.168313 0.105 Uiso 1 1 calc R U . . .
H36B H -0.490197 0.492297 0.134700 0.105 Uiso 1 1 calc R U . . .
H36C H -0.342430 0.583647 0.186212 0.105 Uiso 1 1 calc R U . . .
C17 C 0.7501(4) 1.1307(4) -0.1040(2) 0.0478(11) Uani 1 1 d . . . . .
H17A H 0.711882 1.047354 -0.137452 0.072 Uiso 1 1 calc R U . . .
H17B H 0.853785 1.145763 -0.084750 0.072 Uiso 1 1 calc R U . . .
H17C H 0.732188 1.189070 -0.130859 0.072 Uiso 1 1 calc R U . . .
C6 C 0.3713(5) 1.2463(4) 0.2407(2) 0.0460(11) Uani 1 1 d . . . . .
H6 H 0.307675 1.295611 0.232517 0.055 Uiso 1 1 calc R U . . .
C35 C -0.3249(4) 0.5026(4) 0.0807(3) 0.0469(11) Uani 1 1 d . . . . .
H35A H -0.370660 0.424366 0.041410 0.056 Uiso 1 1 calc R U . . .
H35B H -0.342954 0.570201 0.061253 0.056 Uiso 1 1 calc R U . . .
O9 O 0.8963(3) 1.1661(3) 0.51352(18) 0.0566(8) Uani 1 1 d . . . . .
H9B H 0.852359 1.216148 0.498574 0.085 Uiso 1 1 d R U . . .
H9A H 0.938639 1.197958 0.560024 0.085 Uiso 1 1 d R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
C25 O8 1.252(5) 2_676 ?
C25 O5 1.252(4) . ?
C25 C26 1.513(5) . ?
O5 Eu1 2.415(3) . ?
Eu1 O8 2.327(3) . ?
Eu1 O4 2.351(3) 2_675 ?
Eu1 O1 2.373(2) . ?
Eu1 O2 2.377(3) 2_676 ?
Eu1 O3 2.384(2) 1_656 ?
Eu1 O9 2.516(3) . ?
Eu1 O10 2.637(4) . ?
Eu1 Eu1 4.3136(4) 2_676 ?
O1 C1 1.247(4) . ?
O2 C1 1.259(4) . ?
O3 C24 1.259(4) . ?
O10 H10A 0.8501 . ?
O10 H10B 0.8500 . ?
O4 C24 1.258(4) . ?
O6 C9 1.357(5) . ?
O6 C14 1.413(4) . ?
O7 C12 1.366(4) . ?
O7 C16 1.418(4) . ?
C21 C20 1.387(5) . ?
C21 C22 1.388(5) . ?
C21 C24 1.499(5) . ?
O11 C34 1.374(4) . ?
O11 C35 1.409(4) . ?
C22 C23 1.386(5) . ?
C22 H22 0.9300 . ?
C18 C23 1.384(5) . ?
C18 C19 1.398(5) . ?
C18 C11 1.498(5) . ?
C13 C12 1.389(5) . ?
C13 C8 1.395(5) . ?
C13 H13 0.9300 . ?
C23 H23 0.9300 . ?
C1 C2 1.514(5) . ?
C32 C34 1.382(5) 2_565 ?
C32 C33 1.396(5) . ?
C32 H32 0.9300 . ?
C10 C11 1.388(5) . ?
C10 C9 1.403(5) . ?
C10 H10 0.9300 . ?
C12 C11 1.406(5) . ?
C30 C29 1.386(5) . ?
C30 C31 1.386(5) . ?
C30 H30 0.9300 . ?
C26 C31 1.380(5) . ?
C26 C27 1.383(5) . ?
C4 C5 1.384(5) . ?
C4 C3 1.391(5) . ?
C4 H4 0.9300 . ?
C27 C28 1.383(5) . ?
C27 H27 0.9300 . ?
C8 C9 1.398(5) . ?
C8 C5 1.492(5) . ?
C34 C33 1.398(5) . ?
C20 C19 1.389(5) . ?
C20 H20 0.9300 . ?
C5 C6 1.400(5) . ?
C2 C3 1.370(5) . ?
C2 C7 1.374(5) . ?
C28 C29 1.393(5) . ?
C28 H28 0.9300 . ?
C3 H3 0.9300 . ?
C19 H19 0.9300 . ?
C31 H31 0.9300 . ?
C33 C29 1.493(5) . ?
C16 C17 1.495(5) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C14 C15 1.491(6) . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C7 C6 1.380(5) . ?
C7 H7 0.9300 . ?
C36 C35 1.490(6) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C6 H6 0.9300 . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
O9 H9B 0.8500 . ?
O9 H9A 0.8499 . ?

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
O8 C25 O5 124.0(4) 2_676 . ?
O8 C25 C26 118.2(3) 2_676 . ?
O5 C25 C26 117.8(4) . . ?
C25 O5 Eu1 114.6(2) . . ?
O8 Eu1 O4 148.67(10) . 2_675 ?
O8 Eu1 O1 79.65(9) . . ?
O4 Eu1 O1 85.52(9) 2_675 . ?
O8 Eu1 O2 73.32(10) . 2_676 ?
O4 Eu1 O2 136.64(10) 2_675 2_676 ?
O1 Eu1 O2 125.01(9) . 2_676 ?
O8 Eu1 O3 86.75(9) . 1_656 ?
O4 Eu1 O3 87.38(9) 2_675 1_656 ?
O1 Eu1 O3 140.42(9) . 1_656 ?
O2 Eu1 O3 85.02(9) 2_676 1_656 ?
O8 Eu1 O5 121.94(9) . . ?
O4 Eu1 O5 80.63(9) 2_675 . ?
O1 Eu1 O5 77.29(9) . . ?
O2 Eu1 O5 78.00(9) 2_676 . ?
O3 Eu1 O5 139.47(9) 1_656 . ?
O8 Eu1 O9 76.29(10) . . ?
O4 Eu1 O9 72.69(10) 2_675 . ?
O1 Eu1 O9 69.52(9) . . ?
O2 Eu1 O9 142.16(10) 2_676 . ?
O3 Eu1 O9 71.18(9) 1_656 . ?
O5 Eu1 O9 138.45(10) . . ?
O8 Eu1 O10 136.04(11) . . ?
O4 Eu1 O10 69.18(11) 2_675 . ?
O1 Eu1 O10 140.80(11) . . ?
O2 Eu1 O10 68.12(11) 2_676 . ?
O3 Eu1 O10 69.93(10) 1_656 . ?
O5 Eu1 O10 69.61(10) . . ?
O9 Eu1 O10 125.72(11) . . ?
O8 Eu1 Eu1 46.49(7) . 2_676 ?
O4 Eu1 Eu1 144.38(6) 2_675 2_676 ?
O1 Eu1 Eu1 63.77(6) . 2_676 ?
O2 Eu1 Eu1 62.80(6) 2_676 2_676 ?
O3 Eu1 Eu1 127.66(7) 1_656 2_676 ?
O5 Eu1 Eu1 75.55(6) . 2_676 ?
O9 Eu1 Eu1 109.44(7) . 2_676 ?
O10 Eu1 Eu1 124.13(9) . 2_676 ?
C1 O1 Eu1 140.5(2) . . ?
C1 O2 Eu1 136.7(2) . 2_676 ?
C25 O8 Eu1 178.2(3) 2_676 . ?
C24 O3 Eu1 141.0(2) . 1_454 ?
Eu1 O10 H10A 109.0 . . ?
Eu1 O10 H10B 109.6 . . ?
H10A O10 H10B 109.5 . . ?
C24 O4 Eu1 149.7(3) . 2_675 ?
C9 O6 C14 121.0(3) . . ?
C12 O7 C16 118.9(3) . . ?
C20 C21 C22 118.3(3) . . ?
C20 C21 C24 121.1(3) . . ?
C22 C21 C24 120.5(3) . . ?
C34 O11 C35 119.5(3) . . ?
C23 C22 C21 121.1(3) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C23 C18 C19 117.8(3) . . ?
C23 C18 C11 123.5(3) . . ?
C19 C18 C11 118.7(3) . . ?
C12 C13 C8 124.0(3) . . ?
C12 C13 H13 118.0 . . ?
C8 C13 H13 118.0 . . ?
C18 C23 C22 121.0(3) . . ?
C18 C23 H23 119.5 . . ?
C22 C23 H23 119.5 . . ?
O4 C24 O3 124.4(3) . . ?
O4 C24 C21 118.1(3) . . ?
O3 C24 C21 117.5(3) . . ?
O1 C1 O2 126.2(3) . . ?
O1 C1 C2 117.3(4) . . ?
O2 C1 C2 116.5(3) . . ?
C34 C32 C33 122.9(3) 2_565 . ?
C34 C32 H32 118.6 2_565 . ?
C33 C32 H32 118.6 . . ?
C11 C10 C9 123.3(3) . . ?
C11 C10 H10 118.4 . . ?
C9 C10 H10 118.4 . . ?
O7 C12 C13 123.8(3) . . ?
O7 C12 C11 117.0(3) . . ?
C13 C12 C11 119.2(4) . . ?
C29 C30 C31 120.9(3) . . ?
C29 C30 H30 119.5 . . ?
C31 C30 H30 119.5 . . ?
C31 C26 C27 118.8(3) . . ?
C31 C26 C25 120.7(3) . . ?
C27 C26 C25 120.4(3) . . ?
C5 C4 C3 122.3(4) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
C26 C27 C28 120.5(3) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C13 C8 C9 116.7(3) . . ?
C13 C8 C5 119.5(3) . . ?
C9 C8 C5 123.5(3) . . ?
O11 C34 C32 123.7(3) . 2_565 ?
O11 C34 C33 116.2(3) . . ?
C32 C34 C33 120.0(3) 2_565 . ?
C21 C20 C19 120.5(3) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C4 C5 C6 116.6(3) . . ?
C4 C5 C8 120.1(3) . . ?
C6 C5 C8 123.1(3) . . ?
C3 C2 C7 118.1(3) . . ?
C3 C2 C1 120.3(3) . . ?
C7 C2 C1 121.4(4) . . ?
C10 C11 C12 117.1(3) . . ?
C10 C11 C18 119.9(3) . . ?
C12 C11 C18 123.0(3) . . ?
O6 C9 C8 118.0(3) . . ?
O6 C9 C10 122.4(3) . . ?
C8 C9 C10 119.6(4) . . ?
C27 C28 C29 120.9(4) . . ?
C27 C28 H28 119.5 . . ?
C29 C28 H28 119.5 . . ?
C2 C3 C4 120.1(3) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C20 C19 C18 121.2(3) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C26 C31 C30 120.7(4) . . ?
C26 C31 H31 119.7 . . ?
C30 C31 H31 119.7 . . ?
C32 C33 C34 117.1(3) . . ?
C32 C33 C29 118.8(3) . . ?
C34 C33 C29 124.0(3) . . ?
C30 C29 C28 117.9(3) . . ?
C30 C29 C33 122.1(3) . . ?
C28 C29 C33 119.5(3) . . ?
O7 C16 C17 106.6(3) . . ?
O7 C16 H16A 110.4 . . ?
C17 C16 H16A 110.4 . . ?
O7 C16 H16B 110.4 . . ?
C17 C16 H16B 110.4 . . ?
H16A C16 H16B 108.6 . . ?
O6 C14 C15 108.1(3) . . ?
O6 C14 H14A 110.1 . . ?
C15 C14 H14A 110.1 . . ?
O6 C14 H14B 110.1 . . ?
C15 C14 H14B 110.1 . . ?
H14A C14 H14B 108.4 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C2 C7 C6 122.2(4) . . ?
C2 C7 H7 118.9 . . ?
C6 C7 H7 118.9 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C7 C6 C5 120.2(4) . . ?
C7 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
O11 C35 C36 107.1(4) . . ?
O11 C35 H35A 110.3 . . ?
C36 C35 H35A 110.3 . . ?
O11 C35 H35B 110.3 . . ?
C36 C35 H35B 110.3 . . ?
H35A C35 H35B 108.6 . . ?
Eu1 O9 H9B 109.2 . . ?
Eu1 O9 H9A 109.2 . . ?
H9B O9 H9A 109.5 . . ?

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
O8 C25 O5 Eu1 -13.1(5) 2_676 . . . ?
C26 C25 O5 Eu1 164.1(2) . . . . ?
C20 C21 C22 C23 0.8(5) . . . . ?
C24 C21 C22 C23 178.2(3) . . . . ?
C19 C18 C23 C22 0.5(5) . . . . ?
C11 C18 C23 C22 -178.4(3) . . . . ?
C21 C22 C23 C18 -0.4(6) . . . . ?
Eu1 O4 C24 O3 -89.7(5) 2_675 . . . ?
Eu1 O4 C24 C21 91.9(5) 2_675 . . . ?
Eu1 O3 C24 O4 -17.6(7) 1_454 . . . ?
Eu1 O3 C24 C21 160.8(3) 1_454 . . . ?
C20 C21 C24 O4 -173.8(3) . . . . ?
C22 C21 C24 O4 8.9(5) . . . . ?
C20 C21 C24 O3 7.7(5) . . . . ?
C22 C21 C24 O3 -169.6(3) . . . . ?
Eu1 O1 C1 O2 9.0(7) . . . . ?
Eu1 O1 C1 C2 -169.3(3) . . . . ?
Eu1 O2 C1 O1 -44.2(6) 2_676 . . . ?
Eu1 O2 C1 C2 134.1(3) 2_676 . . . ?
C16 O7 C12 C13 1.2(5) . . . . ?
C16 O7 C12 C11 -176.2(3) . . . . ?
C8 C13 C12 O7 -179.3(3) . . . . ?
C8 C13 C12 C11 -2.0(6) . . . . ?
O8 C25 C26 C31 10.9(5) 2_676 . . . ?
O5 C25 C26 C31 -166.5(3) . . . . ?
O8 C25 C26 C27 -173.1(4) 2_676 . . . ?
O5 C25 C26 C27 9.5(5) . . . . ?
C31 C26 C27 C28 1.6(6) . . . . ?
C25 C26 C27 C28 -174.5(3) . . . . ?
C12 C13 C8 C9 -2.0(6) . . . . ?
C12 C13 C8 C5 171.8(4) . . . . ?
C35 O11 C34 C32 -12.3(5) . . . 2_565 ?
C35 O11 C34 C33 170.3(3) . . . . ?
C22 C21 C20 C19 -1.3(5) . . . . ?
C24 C21 C20 C19 -178.6(3) . . . . ?
C3 C4 C5 C6 5.5(6) . . . . ?
C3 C4 C5 C8 -169.6(4) . . . . ?
C13 C8 C5 C4 -26.3(5) . . . . ?
C9 C8 C5 C4 147.0(4) . . . . ?
C13 C8 C5 C6 158.9(4) . . . . ?
C9 C8 C5 C6 -27.8(6) . . . . ?
O1 C1 C2 C3 10.8(5) . . . . ?
O2 C1 C2 C3 -167.7(3) . . . . ?
O1 C1 C2 C7 -173.7(4) . . . . ?
O2 C1 C2 C7 7.9(6) . . . . ?
C9 C10 C11 C12 -2.8(6) . . . . ?
C9 C10 C11 C18 177.4(4) . . . . ?
O7 C12 C11 C10 -178.3(3) . . . . ?
C13 C12 C11 C10 4.3(5) . . . . ?
O7 C12 C11 C18 1.6(5) . . . . ?
C13 C12 C11 C18 -175.9(3) . . . . ?
C23 C18 C11 C10 142.5(4) . . . . ?
C19 C18 C11 C10 -36.4(5) . . . . ?
C23 C18 C11 C12 -37.4(5) . . . . ?
C19 C18 C11 C12 143.7(4) . . . . ?
C14 O6 C9 C8 173.7(4) . . . . ?
C14 O6 C9 C10 -8.4(6) . . . . ?
C13 C8 C9 O6 -178.5(3) . . . . ?
C5 C8 C9 O6 8.0(6) . . . . ?
C13 C8 C9 C10 3.5(5) . . . . ?
C5 C8 C9 C10 -170.0(4) . . . . ?
C11 C10 C9 O6 -179.1(4) . . . . ?
C11 C10 C9 C8 -1.2(6) . . . . ?
C26 C27 C28 C29 2.3(6) . . . . ?
C7 C2 C3 C4 -4.8(6) . . . . ?
C1 C2 C3 C4 171.0(4) . . . . ?
C5 C4 C3 C2 0.5(6) . . . . ?
C21 C20 C19 C18 1.4(6) . . . . ?
C23 C18 C19 C20 -0.9(6) . . . . ?
C11 C18 C19 C20 178.0(3) . . . . ?
C27 C26 C31 C30 -2.6(6) . . . . ?
C25 C26 C31 C30 173.5(3) . . . . ?
C29 C30 C31 C26 -0.4(6) . . . . ?
C34 C32 C33 C34 1.2(6) 2_565 . . . ?
C34 C32 C33 C29 -175.6(3) 2_565 . . . ?
O11 C34 C33 C32 176.4(3) . . . . ?
C32 C34 C33 C32 -1.1(6) 2_565 . . . ?
O11 C34 C33 C29 -7.1(5) . . . . ?
C32 C34 C33 C29 175.4(3) 2_565 . . . ?
C31 C30 C29 C28 4.2(6) . . . . ?
C31 C30 C29 C33 -167.6(3) . . . . ?
C27 C28 C29 C30 -5.2(6) . . . . ?
C27 C28 C29 C33 166.8(4) . . . . ?
C32 C33 C29 C30 132.8(4) . . . . ?
C34 C33 C29 C30 -43.7(5) . . . . ?
C32 C33 C29 C28 -38.8(5) . . . . ?
C34 C33 C29 C28 144.7(4) . . . . ?
C12 O7 C16 C17 -178.8(3) . . . . ?
C9 O6 C14 C15 -167.9(4) . . . . ?
C3 C2 C7 C6 2.9(6) . . . . ?
C1 C2 C7 C6 -172.8(4) . . . . ?
C2 C7 C6 C5 3.3(7) . . . . ?
C4 C5 C6 C7 -7.3(6) . . . . ?
C8 C5 C6 C7 167.7(4) . . . . ?
C34 O11 C35 C36 176.1(4) . . . . ?

_refine_diff_density_max         1.353
_refine_diff_density_min         -0.695
_refine_diff_density_rms         0.092




