#------------------------------------------------------------------------------
#$Date: 2021-01-26 01:51:46 +0200 (Tue, 26 Jan 2021) $
#$Revision: 261202 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/55/4135548.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_4135548
loop_
_publ_author_name
'Lv, Xiu-Liang'
'Feng, Liang'
'Xie, Lin-Hua'
'He, Tao'
'Wu, Wei'
'Wang, Kun-Yu'
'Si, Guangrui'
'Wang, Bin'
'Li, Jian-Rong'
'Zhou, Hong-Cai'
_publ_section_title
;
 Linker Desymmetrization: Access to a Series of Rare-Earth
 Tetracarboxylate Frameworks with Eight-Connected Hexanuclear Nodes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c11546
_journal_year                    2021
_chemical_formula_sum            'C72 H36 Eu6 N0 O36'
_chemical_formula_weight         2388.77
_space_group_crystal_system      orthorhombic
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   33.2301(16)
_cell_length_b                   16.6318(8)
_cell_length_c                   25.9567(12)
_cell_measurement_reflns_used    30746
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      50.683
_cell_measurement_theta_min      2.971
_cell_volume                     14345.7(12)
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1078
_diffrn_reflns_av_unetI/netI     0.0544
_diffrn_reflns_Laue_measured_fraction_full 0.980
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30361
_diffrn_reflns_point_group_measured_fraction_full 0.980
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        50.683
_diffrn_reflns_theta_max         50.683
_diffrn_reflns_theta_min         2.971
_exptl_absorpt_coefficient_mu    18.889
_exptl_crystal_density_diffrn    1.106
_exptl_crystal_description       block
_exptl_crystal_F_000             4536
_refine_diff_density_max         0.958
_refine_diff_density_min         -0.816
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         3915
_refine_ls_number_restraints     629
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.1143
_refine_ls_R_factor_gt           0.0769
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1202P)²+347.6242P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1999
_refine_ls_wR_factor_ref         0.2313
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2637
_reflns_number_total             3915
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c11546_si_002.cif
_cod_data_source_block           shelx
_cod_database_code               4135548
_shelx_shelxl_version_number     2018/1
_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+1/2'
'-x, y, -z+1/2'
'x, -y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y, z-1/2'
'-x, y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, y+1/2, -z-1/2'
'x+1/2, -y+1/2, z-1/2'
'-x+1/2, y+1/2, 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
C1 C 0.5664(5) 0.4307(12) 0.6527(5) 0.077(4) Uani 1 1 d D U . . .
C2 C 0.5806(4) 0.3999(10) 0.7034(5) 0.061(4) Uani 1 1 d D U . . .
C3 C 0.6051(5) 0.3316(10) 0.7040(6) 0.069(4) Uani 1 1 d . U . . .
H3 H 0.611978 0.306172 0.672478 0.083 Uiso 1 1 calc R U . . .
C4 C 0.6195(6) 0.3006(12) 0.750000 0.065(5) Uani 1 2 d DS TU P . .
C5 C 0.5687(6) 0.4286(14) 0.750000 0.061(5) Uani 1 2 d S TU P . .
H5 H 0.550590 0.472691 0.750001 0.073 Uiso 1 2 calc R U P . .
C6 C 0.6454(5) 0.2263(11) 0.750000 0.071(5) Uani 1 2 d DS TU P . .
C7 C 0.6346(7) 0.1596(13) 0.7790(8) 0.098(9) Uani 0.5 1 d D U P . .
H7 H 0.610781 0.160891 0.799220 0.118 Uiso 0.5 1 calc R U P . .
C8 C 0.6585(8) 0.0904(13) 0.7785(11) 0.118(9) Uani 0.5 1 d D U P . .
C9 C 0.6942(7) 0.0900(13) 0.750000 0.104(7) Uani 1 2 d DS TU P . .
H9 H 0.711723 0.044950 0.751868 0.125 Uiso 1 2 calc R U P . .
C10 C 0.7042(8) 0.1555(15) 0.7187(13) 0.131(10) Uani 0.5 1 d D U P . .
C11 C 0.6795(7) 0.2239(14) 0.7187(11) 0.097(9) Uani 0.5 1 d D U P . .
H11 H 0.686049 0.268518 0.697356 0.116 Uiso 0.5 1 calc R U P . .
C21 C 0.7443(8) 0.1610(19) 0.6923(13) 0.177(12) Uani 0.5 1 d D U P . .
C22 C 0.7427(8) 0.200(2) 0.6442(14) 0.188(14) Uani 0.5 1 d D U P . .
H22 H 0.717620 0.219198 0.631370 0.225 Uiso 0.5 1 calc R U P . .
C23 C 0.7781(8) 0.212(2) 0.6148(13) 0.200(14) Uani 0.5 1 d D U P . .
H23 H 0.776754 0.236759 0.581973 0.240 Uiso 0.5 1 calc R U P . .
C24 C 0.8155(7) 0.186(3) 0.6344(13) 0.206(13) Uani 0.5 1 d D U P . .
C25 C 0.8174(7) 0.146(3) 0.6824(13) 0.207(13) Uani 0.5 1 d D U P . .
C26 C 0.7818(9) 0.133(3) 0.7115(13) 0.199(14) Uani 0.5 1 d D U P . .
H26 H 0.783085 0.106796 0.743883 0.239 Uiso 0.5 1 calc R U P . .
C31 C 0.8877(9) 0.166(3) 0.6232(12) 0.181(13) Uani 0.5 1 d D U P . .
C32 C 0.8507(7) 0.196(3) 0.6046(12) 0.198(14) Uani 0.5 1 d D U P . .
H32 H 0.849491 0.222677 0.572365 0.237 Uiso 0.5 1 calc R U P . .
C33 C 0.8542(9) 0.113(3) 0.7000(13) 0.213(15) Uani 0.5 1 d D U P . .
H33 H 0.854950 0.081309 0.730322 0.256 Uiso 0.5 1 calc R U P . .
C34 C 0.8899(10) 0.129(3) 0.6721(11) 0.194(14) Uani 0.5 1 d D U P . .
H34 H 0.915304 0.114594 0.686207 0.233 Uiso 0.5 1 calc R U P . .
C35 C 0.9249(9) 0.179(3) 0.5925(9) 0.123(11) Uani 0.5 1 d D U P . .
C51 C 0.6491(13) 0.021(2) 0.8137(14) 0.168(12) Uani 0.5 1 d D U P . .
C52 C 0.6718(13) -0.004(2) 0.8553(16) 0.206(15) Uani 0.5 1 d D U P . .
H52 H 0.696263 0.022409 0.863322 0.247 Uiso 0.5 1 calc R U P . .
C53 C 0.6595(13) -0.068(2) 0.8850(15) 0.209(15) Uani 0.5 1 d D U P . .
H53 H 0.673794 -0.081130 0.915534 0.251 Uiso 0.5 1 calc R U P . .
C54 C 0.6166(13) -0.024(2) 0.7987(14) 0.200(15) Uani 0.5 1 d D U P . .
H54 H 0.601025 -0.008912 0.769664 0.239 Uiso 0.5 1 calc R U P . .
C61 C 0.5820(7) -0.2237(15) 0.8810(8) 0.155(12) Uani 0.5 1 d D U P . .
C62 C 0.6135(8) -0.1788(15) 0.8977(9) 0.167(13) Uani 0.5 1 d D U P . .
H62 H 0.627011 -0.193449 0.928553 0.200 Uiso 0.5 1 calc R U P . .
C63 C 0.6262(8) -0.1125(13) 0.8707(9) 0.193(13) Uani 0.5 1 d D U P . .
C64 C 0.6069(12) -0.093(2) 0.8257(13) 0.205(14) Uani 0.5 1 d D U P . .
C65 C 0.5721(12) -0.131(2) 0.8127(15) 0.215(15) Uani 0.5 1 d D U P . .
H65 H 0.555067 -0.109085 0.786849 0.257 Uiso 0.5 1 calc R U P . .
C66 C 0.5617(12) -0.201(2) 0.8369(13) 0.195(15) Uani 0.5 1 d D U P . .
H66 H 0.540636 -0.233328 0.823589 0.234 Uiso 0.5 1 calc R U P . .
C67 C 0.5673(11) -0.296(2) 0.9094(8) 0.119(9) Uani 0.5 1 d D U P . .
O1 O 0.5540(2) 0.5261(6) 0.5453(3) 0.053(2) Uani 1 1 d . U . . .
O2 O 0.500000 0.4226(8) 0.5702(4) 0.056(3) Uani 1 2 d S TU P . .
O3 O 0.5430(3) 0.4943(7) 0.6554(3) 0.073(3) Uani 1 1 d . U . . .
O4 O 0.5762(4) 0.3974(8) 0.6132(4) 0.095(3) Uani 1 1 d . U . . .
O5 O 0.500000 0.6321(8) 0.5218(4) 0.055(3) Uani 1 2 d S TU P . .
O6 O 0.5438(4) -0.3413(8) 0.8819(4) 0.096(4) Uani 1 1 d D U . . .
O7 O 0.5790(4) -0.3089(8) 0.9560(5) 0.109(4) Uani 1 1 d D U . . .
O8 O 0.6270(4) 0.4411(11) 0.5150(4) 0.143(5) Uani 1 1 d . U . . .
O9 O 0.6119(7) 0.2800(14) 0.5508(8) 0.219(7) Uani 1 1 d . U . . .
O10 O 0.5346(6) 0.2602(8) 0.5567(5) 0.145(5) Uani 1 1 d . U . . .
Eu1 Eu 0.500000 0.55554(9) 0.59765(4) 0.0645(5) Uani 1 2 d S TU P . .
Eu2 Eu 0.55943(3) 0.38765(7) 0.52653(4) 0.0820(5) Uani 1 1 d . U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -8.9294 11.1857 '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
O4 C1 O3 124.9(13) . . ?
O4 C1 C2 120.5(16) . . ?
O3 C1 C2 114.6(13) . . ?
C5 C2 C3 116.3(14) . . ?
C5 C2 C1 125.1(15) . . ?
C3 C2 C1 118.3(14) . . ?
C2 C3 C4 120.9(14) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C3 118.9(19) 10_557 . ?
C3 C4 C6 120.2(10) 10_557 . ?
C3 C4 C6 120.2(10) . . ?
C2 C5 C2 126(2) 10_557 . ?
C2 C5 H5 117.0 10_557 . ?
C2 C5 H5 117.0 . . ?
C7 C6 C7 66(2) 10_557 . ?
C7 C6 C11 120.2(10) 10_557 10_557 ?
C7 C6 C11 82.7(17) . 10_557 ?
C7 C6 C11 82.7(17) 10_557 . ?
C7 C6 C11 120.2(10) . . ?
C11 C6 C11 71(3) 10_557 . ?
C7 C6 C4 120.5(13) 10_557 . ?
C7 C6 C4 120.5(13) . . ?
C11 C6 C4 119.2(13) 10_557 . ?
C11 C6 C4 119.2(13) . . ?
C6 C7 C8 120.4(10) . . ?
C6 C7 H7 119.8 . . ?
C8 C7 H7 119.8 . . ?
C7 C8 C9 119.4(10) . . ?
C7 C8 C8 90.5(8) . 10_557 ?
C9 C8 C8 58.0(13) . 10_557 ?
C7 C8 C51 120(2) . . ?
C9 C8 C51 120(2) . . ?
C8 C8 C51 127(2) 10_557 . ?
C7 C8 C10 89.2(9) . 10_557 ?
C9 C8 C10 48.2(10) . 10_557 ?
C8 C8 C10 92.2(14) 10_557 10_557 ?
C51 C8 C10 126(3) . 10_557 ?
C10 C9 C8 120.3(10) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 119.6(10) . . ?
C9 C10 C21 122(2) . . ?
C11 C10 C21 117.9(19) . . ?
C9 C10 C10 54.5(16) . 10_557 ?
C11 C10 C10 90.1(17) . 10_557 ?
C21 C10 C10 117.2(19) . 10_557 ?
C9 C10 C8 48.1(10) . 10_557 ?
C11 C10 C8 89.7(16) . 10_557 ?
C21 C10 C8 141(2) . 10_557 ?
C10 C10 C8 87.8(14) 10_557 10_557 ?
C6 C11 C10 119.8(10) . . ?
C6 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C22 C21 C26 119.7(10) . . ?
C22 C21 C10 113(2) . . ?
C26 C21 C10 127(2) . . ?
C21 C22 C23 120.4(11) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 119.8(11) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C25 120.2(10) . . ?
C23 C24 C32 119.6(15) . . ?
C25 C24 C32 120.2(10) . . ?
C24 C25 C33 120.2(10) . . ?
C24 C25 C26 120.1(10) . . ?
C33 C25 C26 119.6(15) . . ?
C21 C26 C25 119.8(11) . . ?
C21 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C34 C31 C32 120.4(11) . . ?
C34 C31 C35 120.1(12) . . ?
C32 C31 C35 119.3(12) . . ?
C34 C31 C67 121.7(16) . 7_656 ?
C32 C31 C67 115.2(15) . 7_656 ?
C35 C31 C67 13(2) . 7_656 ?
C31 C32 C24 119.4(11) . . ?
C31 C32 H32 120.3 . . ?
C24 C32 H32 120.3 . . ?
C25 C33 C34 119.4(11) . . ?
C25 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C31 C34 C33 119.8(11) . . ?
C31 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C67 C35 O6 82(3) 7_656 7_656 ?
C67 C35 O7 79(3) 7_656 7_656 ?
O6 C35 O7 129(3) 7_656 7_656 ?
C67 C35 C31 127(7) 7_656 . ?
O6 C35 C31 111.2(18) 7_656 . ?
O7 C35 C31 117.7(19) 7_656 . ?
C67 C35 C61 48(6) 7_656 7_656 ?
O6 C35 C61 98(2) 7_656 7_656 ?
O7 C35 C61 103(2) 7_656 7_656 ?
C31 C35 C61 80(3) . 7_656 ?
C67 C35 Eu1 98(5) 7_656 5_545 ?
O6 C35 Eu1 35.4(15) 7_656 5_545 ?
O7 C35 Eu1 103(2) 7_656 5_545 ?
C31 C35 Eu1 121.8(18) . 5_545 ?
C61 C35 Eu1 131.5(14) 7_656 5_545 ?
C54 C51 C52 118.6(11) . . ?
C54 C51 C8 114(3) . . ?
C52 C51 C8 127(3) . . ?
C53 C52 C51 120.8(11) . . ?
C53 C52 H52 119.6 . . ?
C51 C52 H52 119.6 . . ?
C52 C53 C63 120.1(11) . . ?
C52 C53 H53 119.9 . . ?
C63 C53 H53 119.9 . . ?
C64 C54 C51 119.8(11) . . ?
C64 C54 H54 120.1 . . ?
C51 C54 H54 120.1 . . ?
C62 C61 C66 119.3(11) . . ?
C62 C61 C67 122.5(12) . . ?
C66 C61 C67 118.2(11) . . ?
C62 C61 C35 118.6(13) . 7_646 ?
C66 C61 C35 120.6(13) . 7_646 ?
C67 C61 C35 15(2) . 7_646 ?
C61 C62 C63 121.1(11) . . ?
C61 C62 H62 119.5 . . ?
C63 C62 H62 119.5 . . ?
C62 C63 C64 118.9(11) . . ?
C62 C63 C53 122.7(14) . . ?
C64 C63 C53 118.2(10) . . ?
C65 C64 C54 117.4(17) . . ?
C65 C64 C63 119.7(12) . . ?
C54 C64 C63 121.5(11) . . ?
C64 C65 C66 119.9(12) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 C61 119.5(11) . . ?
C65 C66 H66 120.2 . . ?
C61 C66 H66 120.2 . . ?
C35 C67 O7 78(3) 7_646 . ?
C35 C67 O6 76(3) 7_646 . ?
O7 C67 O6 126(2) . . ?
C35 C67 C61 118(7) 7_646 . ?
O7 C67 C61 120.3(16) . . ?
O6 C67 C61 113.2(15) . . ?
C35 C67 C31 40(6) 7_646 7_646 ?
O7 C67 C31 97(3) . 7_646 ?
O6 C67 C31 92(2) . 7_646 ?
C61 C67 C31 78(2) . 7_646 ?
Eu1 O1 Eu2 112.8(4) . . ?
Eu1 O1 Eu2 113.4(4) . 4_566 ?
Eu2 O1 Eu2 115.1(3) . 4_566 ?
Eu1 O2 Eu2 112.5(3) . . ?
Eu1 O2 Eu2 112.5(3) . 12_655 ?
Eu2 O2 Eu2 114.4(5) . 12_655 ?
C1 O3 Eu1 133.4(9) . . ?
C1 O4 Eu2 142.1(11) . . ?
Eu1 O5 Eu2 111.7(4) . 9_666 ?
Eu1 O5 Eu2 111.7(4) . 4_566 ?
Eu2 O5 Eu2 113.4(4) 9_666 4_566 ?
C35 O6 C67 22(3) 7_646 . ?
C35 O6 Eu1 126(2) 7_646 10_547 ?
C67 O6 Eu1 133.2(13) . 10_547 ?
C35 O7 C67 23(3) 7_646 . ?
C35 O7 Eu2 130(2) 7_646 11_556 ?
C67 O7 Eu2 138.1(14) . 11_556 ?
O6 Eu1 O6 78.0(7) 10_567 3_666 ?
O6 Eu1 O3 77.8(4) 10_567 . ?
O6 Eu1 O3 124.6(4) 3_666 . ?
O6 Eu1 O3 124.6(4) 10_567 12_655 ?
O6 Eu1 O3 77.8(4) 3_666 12_655 ?
O3 Eu1 O3 76.5(5) . 12_655 ?
O6 Eu1 O1 78.6(4) 10_567 . ?
O6 Eu1 O1 141.6(4) 3_666 . ?
O3 Eu1 O1 78.9(3) . . ?
O3 Eu1 O1 140.5(4) 12_655 . ?
O6 Eu1 O1 141.6(4) 10_567 12_655 ?
O6 Eu1 O1 78.6(4) 3_666 12_655 ?
O3 Eu1 O1 140.5(4) . 12_655 ?
O3 Eu1 O1 78.9(3) 12_655 12_655 ?
O1 Eu1 O1 102.4(4) . 12_655 ?
O6 Eu1 O2 141.0(3) 10_567 . ?
O6 Eu1 O2 141.0(3) 3_666 . ?
O3 Eu1 O2 77.2(3) . . ?
O3 Eu1 O2 77.2(3) 12_655 . ?
O1 Eu1 O2 67.5(3) . . ?
O1 Eu1 O2 67.5(3) 12_655 . ?
O6 Eu1 O5 77.8(4) 10_567 . ?
O6 Eu1 O5 77.8(4) 3_666 . ?
O3 Eu1 O5 141.7(3) . . ?
O3 Eu1 O5 141.7(3) 12_655 . ?
O1 Eu1 O5 67.7(3) . . ?
O1 Eu1 O5 67.7(3) 12_655 . ?
O2 Eu1 O5 105.0(4) . . ?
O6 Eu1 C35 18.7(6) 10_567 16_655 ?
O6 Eu1 C35 91.4(8) 3_666 16_655 ?
O3 Eu1 C35 80.1(6) . 16_655 ?
O3 Eu1 C35 141.7(5) 12_655 16_655 ?
O1 Eu1 C35 60.6(7) . 16_655 ?
O1 Eu1 C35 135.4(5) 12_655 16_655 ?
O2 Eu1 C35 126.2(7) . 16_655 ?
O5 Eu1 C35 67.7(5) . 16_655 ?
O6 Eu1 C35 91.4(8) 10_567 5_455 ?
O6 Eu1 C35 18.7(6) 3_666 5_455 ?
O3 Eu1 C35 141.7(5) . 5_455 ?
O3 Eu1 C35 80.1(6) 12_655 5_455 ?
O1 Eu1 C35 135.4(5) . 5_455 ?
O1 Eu1 C35 60.6(7) 12_655 5_455 ?
O2 Eu1 C35 126.2(7) . 5_455 ?
O5 Eu1 C35 67.7(5) . 5_455 ?
C35 Eu1 C35 101.1(15) 16_655 5_455 ?
O6 Eu1 Eu2 108.8(3) 10_567 . ?
O6 Eu1 Eu2 164.2(3) 3_666 . ?
O3 Eu1 Eu2 71.1(2) . . ?
O3 Eu1 Eu2 107.8(3) 12_655 . ?
O1 Eu1 Eu2 34.0(2) . . ?
O1 Eu1 Eu2 87.9(2) 12_655 . ?
O2 Eu1 Eu2 33.94(11) . . ?
O5 Eu1 Eu2 89.5(3) . . ?
C35 Eu1 Eu2 92.5(7) 16_655 . ?
C35 Eu1 Eu2 145.9(5) 5_455 . ?
O6 Eu1 Eu2 164.2(3) 10_567 12_655 ?
O6 Eu1 Eu2 108.8(3) 3_666 12_655 ?
O3 Eu1 Eu2 107.8(3) . 12_655 ?
O3 Eu1 Eu2 71.1(2) 12_655 12_655 ?
O1 Eu1 Eu2 87.9(2) . 12_655 ?
O1 Eu1 Eu2 34.0(2) 12_655 12_655 ?
O2 Eu1 Eu2 33.94(11) . 12_655 ?
O5 Eu1 Eu2 89.5(3) . 12_655 ?
C35 Eu1 Eu2 145.9(5) 16_655 12_655 ?
C35 Eu1 Eu2 92.5(7) 5_455 12_655 ?
Eu2 Eu1 Eu2 61.08(4) . 12_655 ?
O4 Eu2 O7 136.8(4) . 11 ?
O4 Eu2 O2 73.6(4) . . ?
O7 Eu2 O2 138.5(4) 11 . ?
O4 Eu2 O1 75.5(4) . . ?
O7 Eu2 O1 136.7(4) 11 . ?
O2 Eu2 O1 66.1(4) . . ?
O4 Eu2 O1 137.8(4) . 4_566 ?
O7 Eu2 O1 75.2(4) 11 4_566 ?
O2 Eu2 O1 99.6(3) . 4_566 ?
O1 Eu2 O1 64.2(3) . 4_566 ?
O4 Eu2 O5 136.4(4) . 9_666 ?
O7 Eu2 O5 74.9(4) 11 9_666 ?
O2 Eu2 O5 65.6(3) . 9_666 ?
O1 Eu2 O5 100.5(4) . 9_666 ?
O1 Eu2 O5 66.5(4) 4_566 9_666 ?
O4 Eu2 O10 80.1(5) . . ?
O7 Eu2 O10 81.8(5) 11 . ?
O2 Eu2 O10 76.9(5) . . ?
O1 Eu2 O10 140.1(4) . . ?
O1 Eu2 O10 140.1(4) 4_566 . ?
O5 Eu2 O10 76.3(5) 9_666 . ?
O4 Eu2 O8 82.7(4) . . ?
O7 Eu2 O8 81.5(5) 11 . ?
O2 Eu2 O8 138.1(5) . . ?
O1 Eu2 O8 74.9(4) . . ?
O1 Eu2 O8 75.6(4) 4_566 . ?
O5 Eu2 O8 139.2(4) 9_666 . ?
O10 Eu2 O8 132.7(6) . . ?
O4 Eu2 O9 69.5(5) . . ?
O7 Eu2 O9 67.3(5) 11 . ?
O2 Eu2 O9 128.5(6) . . ?
O1 Eu2 O9 132.7(6) . . ?
O1 Eu2 O9 131.8(6) 4_566 . ?
O5 Eu2 O9 126.8(6) 9_666 . ?
O10 Eu2 O9 62.6(8) . . ?
O8 Eu2 O9 70.1(8) . . ?
O4 Eu2 Eu1 67.1(3) . . ?
O7 Eu2 Eu1 156.1(3) 11 . ?
O2 Eu2 Eu1 33.5(3) . . ?
O1 Eu2 Eu1 33.1(2) . . ?
O1 Eu2 Eu1 84.3(2) 4_566 . ?
O5 Eu2 Eu1 85.8(3) 9_666 . ?
O10 Eu2 Eu1 107.7(4) . . ?
O8 Eu2 Eu1 105.4(4) . . ?
O9 Eu2 Eu1 136.6(4) . . ?
O4 Eu2 Eu1 154.9(3) . 9_666 ?
O7 Eu2 Eu1 68.3(3) 11 9_666 ?
O2 Eu2 Eu1 85.0(2) . 9_666 ?
O1 Eu2 Eu1 84.00(19) . 9_666 ?
O1 Eu2 Eu1 32.9(2) 4_566 9_666 ?
O5 Eu2 Eu1 34.0(3) 9_666 9_666 ?
O10 Eu2 Eu1 108.0(3) . 9_666 ?
O8 Eu2 Eu1 106.1(3) . 9_666 ?
O9 Eu2 Eu1 135.5(4) . 9_666 ?
Eu1 Eu2 Eu1 87.78(3) . 9_666 ?
O4 Eu2 Eu2 103.8(3) . 12_655 ?
O7 Eu2 Eu2 106.1(4) 11 12_655 ?
O2 Eu2 Eu2 32.8(2) . 12_655 ?
O1 Eu2 Eu2 85.6(2) . 12_655 ?
O1 Eu2 Eu2 85.6(2) 4_566 12_655 ?
O5 Eu2 Eu2 33.3(2) 9_666 12_655 ?
O10 Eu2 Eu2 70.0(4) . 12_655 ?
O8 Eu2 Eu2 157.3(4) . 12_655 ?
O9 Eu2 Eu2 132.6(7) . 12_655 ?
Eu1 Eu2 Eu2 59.46(2) . 12_655 ?
Eu1 Eu2 Eu2 59.545(19) 9_666 12_655 ?
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
C1 O4 1.209(18) . ?
C1 O3 1.315(19) . ?
C1 C2 1.488(16) . ?
C2 C5 1.358(17) . ?
C2 C3 1.40(2) . ?
C3 C4 1.386(18) . ?
C3 H3 0.9500 . ?
C4 C6 1.507(18) . ?
C5 H5 0.9500 . ?
C6 C7 1.387(15) 10_557 ?
C6 C7 1.387(15) . ?
C6 C11 1.397(15) 10_557 ?
C6 C11 1.397(15) . ?
C7 C8 1.398(16) . ?
C7 H7 0.9500 . ?
C8 C9 1.398(16) . ?
C8 C8 1.48(6) 10_557 ?
C8 C51 1.503(15) . ?
C8 C10 1.87(4) 10_557 ?
C9 C10 1.399(16) . ?
C9 H9 0.9500 . ?
C10 C11 1.402(16) . ?
C10 C21 1.503(15) . ?
C10 C10 1.62(7) 10_557 ?
C11 H11 0.9500 . ?
C21 C22 1.411(16) . ?
C21 C26 1.418(16) . ?
C22 C23 1.416(17) . ?
C22 H22 0.9500 . ?
C23 C24 1.410(16) . ?
C23 H23 0.9500 . ?
C24 C25 1.412(15) . ?
C24 C32 1.414(16) . ?
C25 C33 1.414(16) . ?
C25 C26 1.418(16) . ?
C26 H26 0.9500 . ?
C31 C34 1.411(16) . ?
C31 C32 1.413(17) . ?
C31 C35 1.486(15) . ?
C31 C67 1.84(6) 7_656 ?
C32 H32 0.9500 . ?
C33 C34 1.415(17) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C67 0.50(6) 7_656 ?
C35 O6 1.279(19) 7_656 ?
C35 O7 1.283(19) 7_656 ?
C35 C61 1.78(6) 7_656 ?
C35 Eu1 3.23(3) 5_545 ?
C51 C54 1.376(16) . ?
C51 C52 1.385(13) . ?
C52 C53 1.370(16) . ?
C52 H52 0.9500 . ?
C53 C63 1.383(15) . ?
C53 H53 0.9500 . ?
C54 C64 1.372(16) . ?
C54 H54 0.9500 . ?
C61 C62 1.358(16) . ?
C61 C66 1.382(15) . ?
C61 C67 1.487(15) . ?
C62 C63 1.371(15) . ?
C62 H62 0.9500 . ?
C63 C64 1.374(14) . ?
C64 C65 1.362(16) . ?
C65 C66 1.365(16) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 O7 1.289(18) . ?
C67 O6 1.304(18) . ?
O1 Eu1 2.304(8) . ?
O1 Eu2 2.361(10) . ?
O1 Eu2 2.359(9) 4_566 ?
O2 Eu1 2.323(13) . ?
O2 Eu2 2.350(6) . ?
O2 Eu2 2.350(6) 12_655 ?
O3 Eu1 2.307(10) . ?
O4 Eu2 2.324(10) . ?
O5 Eu1 2.345(12) . ?
O5 Eu2 2.362(6) 9_666 ?
O5 Eu2 2.363(6) 4_566 ?
O6 Eu1 2.311(13) 10_547 ?
O7 Eu2 2.344(12) 11_556 ?
O8 Eu2 2.434(14) . ?
O9 Eu2 2.578(17) . ?
O10 Eu2 2.406(15) . ?
Eu1 Eu2 3.8866(16) . ?
Eu1 Eu2 3.8867(16) 12_655 ?
Eu2 Eu2 3.950(2) 12_655 ?
