#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:43:17 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263742 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/66/7706682.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_7706682
loop_
_publ_author_name
'De, Avik'
'Bala, Sukhen'
'Saha, Sayan'
'Das, Krishna Sundar'
'Akhtar, Sohel'
'Adhikary, Amit'
'Ghosh, Arijit'
'Huang, Guo-Zhang'
'Chowdhuri, Srijita Paul'
'Das, Benu Brata'
'Tong, Ming-Liang'
'Mondal, Raju'
_publ_section_title
;
 Lanthanide clusters of phenanthroline containing a pyridine-pyrazole
 based ligand: magnetism and cell imaging.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3593
_journal_page_last               3609
_journal_paper_doi               10.1039/d0dt04122j
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C70 H54 Eu3 N31 O21'
_chemical_formula_weight         2121.32
_space_group_crystal_system      orthorhombic
_space_group_IT_number           43
_space_group_name_Hall           'F 2 -2d'
_space_group_name_H-M_alt        'F d d 2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-01-21 deposited with the CCDC.	2021-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   32.535(4)
_cell_length_b                   35.366(4)
_cell_length_c                   13.8372(17)
_cell_measurement_reflns_used    27571
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      34.241
_cell_measurement_theta_min      2.303
_cell_volume                     15922(3)
_computing_cell_refinement       'Bruker APEX-3'
_computing_data_collection       'Bruker APEX-3'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-2 CCD area detector'
_diffrn_measurement_method       '/w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0824
_diffrn_reflns_av_unetI/netI     0.0697
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            51745
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.996
_diffrn_reflns_theta_min         2.303
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.428
_exptl_absorpt_correction_T_max  1.00000000
_exptl_absorpt_correction_T_min  0.79838251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS v.2.03 (Bruker, 2001), R(int)=0.1351 before correction'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.770
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cube
_exptl_crystal_F_000             8384
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.046
_refine_diff_density_min         -1.290
_refine_diff_density_rms         0.151
_refine_ls_abs_structure_details
;
 Flack x determined using 4767 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.082(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     567
_refine_ls_number_reflns         12624
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0426
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0449P)²+110.4815P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0995
_refine_ls_wR_factor_ref         0.1104
_reflns_Friedel_coverage         0.919
_reflns_Friedel_fraction_full    0.994
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                10989
_reflns_number_total             12624
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt04122j2.cif
_cod_data_source_block           Phen-Eu
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7706680--7706682.cif.
;
_cod_database_code               7706682
_shelx_shelxl_version_number     2016/6
_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   0.5627
_shelx_estimated_absorpt_t_max   0.7048
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.500000 0.500000 0.47301(3) 0.01804(9) Uani 1 2 d S T P . .
Eu2 Eu 0.52711(2) 0.38425(2) 0.46435(2) 0.02134(8) Uani 1 1 d . . . . .
O1 O 0.47480(13) 0.43328(13) 0.4836(4) 0.0258(11) Uani 1 1 d . . . . .
O2 O 0.54176(15) 0.44916(13) 0.4108(4) 0.0252(10) Uani 1 1 d . . . . .
N1 N 0.3217(2) 0.5553(2) 0.5613(7) 0.0426(18) Uani 1 1 d . . . . .
N2 N 0.39363(18) 0.51398(18) 0.5467(5) 0.0289(13) Uani 1 1 d . . . . .
H2A H 0.396729 0.537886 0.562774 0.035 Uiso 1 1 calc R U . . .
N3 N 0.42524(17) 0.49008(16) 0.5287(5) 0.0253(12) Uani 1 1 d . . . . .
N4 N 0.42020(17) 0.39137(16) 0.4829(6) 0.0317(15) Uani 1 1 d . . . . .
N5 N 0.45178(18) 0.36478(15) 0.4818(6) 0.0309(14) Uani 1 1 d . . . . .
N6 N 0.5099(2) 0.31285(16) 0.5060(5) 0.0278(12) Uani 1 1 d . . . . .
N7 N 0.58789(18) 0.33490(16) 0.4851(4) 0.0263(12) Uani 1 1 d . . . . .
N8 N 0.59913(19) 0.40060(18) 0.3994(5) 0.0280(13) Uani 1 1 d . . . . .
N9 N 0.60565(19) 0.43377(17) 0.3484(5) 0.0292(13) Uani 1 1 d . . . . .
N10 N 0.54340(18) 0.51539(17) 0.3187(5) 0.0252(12) Uani 1 1 d . . . . .
N11 N 0.5480(2) 0.54307(18) 0.2534(5) 0.0331(14) Uani 1 1 d . . . . .
H11A H 0.532517 0.563462 0.251233 0.040 Uiso 1 1 calc R U . . .
N12 N 0.5627(4) 0.5909(3) 0.1010(9) 0.080(4) Uani 1 1 d . . . . .
C1 C 0.2863(3) 0.5747(3) 0.5684(8) 0.047(2) Uani 1 1 d . . . . .
H1B H 0.287918 0.601295 0.576468 0.056 Uiso 1 1 calc R U . . .
C2 C 0.2476(3) 0.5585(3) 0.5649(8) 0.049(2) Uani 1 1 d . . . . .
H2B H 0.223619 0.573735 0.569010 0.059 Uiso 1 1 calc R U . . .
C3 C 0.2446(3) 0.5200(3) 0.5552(8) 0.0407(19) Uani 1 1 d . . . . .
H3A H 0.218511 0.507917 0.554624 0.049 Uiso 1 1 calc R U . . .
C4 C 0.2804(2) 0.4991(2) 0.5463(7) 0.0339(16) Uani 1 1 d . . . . .
H4B H 0.279231 0.472478 0.537131 0.041 Uiso 1 1 calc R U . . .
C5 C 0.3182(2) 0.5175(2) 0.5509(6) 0.0300(15) Uani 1 1 d . . . . .
C6 C 0.3567(2) 0.4968(2) 0.5371(6) 0.0275(14) Uani 1 1 d . . . . .
C7 C 0.3649(2) 0.4595(2) 0.5118(6) 0.0290(14) Uani 1 1 d . . . . .
H7A H 0.345587 0.439907 0.499968 0.035 Uiso 1 1 calc R U . . .
C8 C 0.4080(2) 0.4570(2) 0.5077(6) 0.0256(13) Uani 1 1 d . . . . .
C9 C 0.4363(2) 0.42535(18) 0.4884(5) 0.0259(14) Uani 1 1 d . . . . .
C10 C 0.4396(2) 0.3303(2) 0.4950(6) 0.0337(18) Uani 1 1 d . . . . .
H10A H 0.411241 0.324022 0.494235 0.040 Uiso 1 1 calc R U . . .
C11 C 0.4709(2) 0.3017(2) 0.5110(6) 0.0299(15) Uani 1 1 d . . . . .
C12 C 0.4596(3) 0.2644(2) 0.5379(7) 0.0372(18) Uani 1 1 d . . . . .
H12B H 0.431410 0.257560 0.542037 0.045 Uiso 1 1 calc R U . . .
C13 C 0.4896(3) 0.2384(2) 0.5578(7) 0.045(2) Uani 1 1 d . . . . .
H13A H 0.482639 0.213237 0.574851 0.054 Uiso 1 1 calc R U . . .
C14 C 0.5309(3) 0.2497(2) 0.5526(7) 0.0358(17) Uani 1 1 d . . . . .
C15 C 0.5642(4) 0.2236(3) 0.5713(9) 0.052(3) Uani 1 1 d . . . . .
H15A H 0.558318 0.198528 0.591498 0.063 Uiso 1 1 calc R U . . .
C16 C 0.6034(3) 0.2349(3) 0.5602(9) 0.051(2) Uani 1 1 d . . . . .
H16A H 0.625056 0.217428 0.571914 0.061 Uiso 1 1 calc R U . . .
C17 C 0.6133(3) 0.2729(2) 0.5310(6) 0.0383(19) Uani 1 1 d . . . . .
C18 C 0.6541(3) 0.2855(3) 0.5173(7) 0.042(2) Uani 1 1 d . . . . .
H18A H 0.676587 0.269227 0.530425 0.050 Uiso 1 1 calc R U . . .
C19 C 0.6607(2) 0.3218(2) 0.4846(6) 0.0359(17) Uani 1 1 d . . . . .
H19A H 0.687876 0.330661 0.473572 0.043 Uiso 1 1 calc R U . . .
C20 C 0.6268(2) 0.34557(19) 0.4677(6) 0.0286(13) Uani 1 1 d . . . . .
C21 C 0.5817(2) 0.2991(2) 0.5148(5) 0.0291(14) Uani 1 1 d . . . . .
C22 C 0.5391(2) 0.28683(19) 0.5247(5) 0.0271(14) Uani 1 1 d . . . . .
C23 C 0.6320(2) 0.3826(2) 0.4241(6) 0.0302(15) Uani 1 1 d . . . . .
H23A H 0.658505 0.393113 0.414045 0.036 Uiso 1 1 calc R U . . .
C24 C 0.5736(2) 0.45567(19) 0.3549(5) 0.0241(13) Uani 1 1 d . . . . .
C25 C 0.5724(2) 0.49001(19) 0.2972(5) 0.0250(13) Uani 1 1 d . . . . .
C26 C 0.5963(2) 0.50152(18) 0.2184(7) 0.0323(15) Uani 1 1 d . . . . .
H26A H 0.618919 0.488708 0.189915 0.039 Uiso 1 1 calc R U . . .
C27 C 0.5793(3) 0.5360(2) 0.1912(6) 0.0367(18) Uani 1 1 d . . . . .
C28 C 0.5899(3) 0.5623(2) 0.1123(8) 0.046(2) Uani 1 1 d . . . . .
C29 C 0.6237(3) 0.5579(3) 0.0557(7) 0.043(2) Uani 1 1 d . . . . .
H29A H 0.641127 0.536549 0.063497 0.051 Uiso 1 1 calc R U . . .
C30 C 0.6322(3) 0.5849(3) -0.0135(7) 0.048(2) Uani 1 1 d . . . . .
H30A H 0.656058 0.582895 -0.052616 0.058 Uiso 1 1 calc R U . . .
C31 C 0.6055(4) 0.6150(3) -0.0250(9) 0.061(3) Uani 1 1 d . . . . .
H31A H 0.610479 0.634000 -0.072035 0.074 Uiso 1 1 calc R U . . .
C32 C 0.5717(6) 0.6165(3) 0.0332(12) 0.091(6) Uani 1 1 d . . . . .
H32A H 0.553335 0.637130 0.024994 0.109 Uiso 1 1 calc R U . . .
O1S O 0.49366(19) 0.52982(18) 0.6383(4) 0.0366(13) Uani 1 1 d . . . . .
O2S O 0.500000 0.500000 0.7749(7) 0.050(3) Uani 1 2 d S T P . .
N1S N 0.500000 0.500000 0.6863(7) 0.032(2) Uani 1 2 d S T P . .
O1SA O 0.4989(4) 0.3924(2) 0.2965(6) 0.081(3) Uani 1 1 d . . . . .
O2SA O 0.5337(2) 0.34341(18) 0.3160(5) 0.0436(15) Uani 1 1 d . . . . .
O3SA O 0.5059(4) 0.3522(3) 0.1781(7) 0.093(4) Uani 1 1 d . . . . .
N1SA N 0.5126(3) 0.3624(2) 0.2597(6) 0.0421(19) Uani 1 1 d . . . . .
O1SB O 0.5534(3) 0.4083(2) 0.7505(5) 0.062(2) Uani 1 1 d . . . . .
O2SB O 0.56867(18) 0.41145(17) 0.5968(4) 0.0359(12) Uani 1 1 d . . . . .
O3SB O 0.5150(3) 0.37988(18) 0.6418(5) 0.0454(16) Uani 1 1 d . . . . .
N1SB N 0.5460(3) 0.4004(2) 0.6671(5) 0.0396(17) Uani 1 1 d . . . . .
O1SS O 0.4036(4) 0.2914(4) 0.3058(9) 0.094(3) Uani 1 1 d . . . . .
N1SS N 0.3549(8) 0.3363(6) 0.2684(16) 0.141(8) Uani 1 1 d . . . . .
C1SS C 0.3927(8) 0.3237(7) 0.2868(13) 0.113(7) Uani 1 1 d . . . . .
H1SA H 0.413996 0.342088 0.284881 0.135 Uiso 1 1 calc R U . . .
C2SS C 0.3453(11) 0.3761(8) 0.255(3) 0.210(17) Uani 1 1 d . . . . .
H2SA H 0.370743 0.390889 0.255330 0.252 Uiso 1 1 calc R U . . .
H2SB H 0.327496 0.384673 0.308092 0.252 Uiso 1 1 calc R U . . .
H2SC H 0.331033 0.379608 0.193466 0.252 Uiso 1 1 calc R U . . .
C3SS C 0.3177(9) 0.3046(11) 0.252(2) 0.24(2) Uani 1 1 d . . . . .
H3SA H 0.300857 0.311968 0.196481 0.282 Uiso 1 1 calc R U . . .
H3SB H 0.300437 0.303472 0.310074 0.282 Uiso 1 1 calc R U . . .
H3SC H 0.329914 0.279710 0.240191 0.282 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Eu1 O2 138.2(3) . 2_665 ?
O2 Eu1 O1 60.18(15) . . ?
O2 Eu1 O1 122.63(16) 2_665 . ?
O2 Eu1 O1 122.63(16) . 2_665 ?
O2 Eu1 O1 60.18(15) 2_665 2_665 ?
O1 Eu1 O1 173.3(3) . 2_665 ?
O2 Eu1 O1S 88.04(19) . 2_665 ?
O2 Eu1 O1S 132.85(19) 2_665 2_665 ?
O1 Eu1 O1S 65.16(19) . 2_665 ?
O1 Eu1 O1S 108.3(2) 2_665 2_665 ?
O2 Eu1 O1S 132.85(19) . . ?
O2 Eu1 O1S 88.05(19) 2_665 . ?
O1 Eu1 O1S 108.3(2) . . ?
O1 Eu1 O1S 65.16(19) 2_665 . ?
O1S Eu1 O1S 50.3(3) 2_665 . ?
O2 Eu1 N3 71.12(18) . 2_665 ?
O2 Eu1 N3 122.49(17) 2_665 2_665 ?
O1 Eu1 N3 114.85(17) . 2_665 ?
O1 Eu1 N3 62.91(16) 2_665 2_665 ?
O1S Eu1 N3 73.1(2) 2_665 2_665 ?
O1S Eu1 N3 75.5(2) . 2_665 ?
O2 Eu1 N3 122.49(17) . . ?
O2 Eu1 N3 71.12(18) 2_665 . ?
O1 Eu1 N3 62.91(16) . . ?
O1 Eu1 N3 114.85(17) 2_665 . ?
O1S Eu1 N3 75.5(2) 2_665 . ?
O1S Eu1 N3 73.1(2) . . ?
N3 Eu1 N3 145.2(3) 2_665 . ?
O2 Eu1 N10 81.82(18) . 2_665 ?
O2 Eu1 N10 63.89(17) 2_665 2_665 ?
O1 Eu1 N10 71.04(19) . 2_665 ?
O1 Eu1 N10 114.88(18) 2_665 2_665 ?
O1S Eu1 N10 134.1(2) 2_665 2_665 ?
O1S Eu1 N10 141.4(2) . 2_665 ?
N3 Eu1 N10 141.4(2) 2_665 2_665 ?
N3 Eu1 N10 72.9(2) . 2_665 ?
O2 Eu1 N10 63.89(17) . . ?
O2 Eu1 N10 81.82(18) 2_665 . ?
O1 Eu1 N10 114.88(18) . . ?
O1 Eu1 N10 71.04(19) 2_665 . ?
O1S Eu1 N10 141.4(2) 2_665 . ?
O1S Eu1 N10 134.1(2) . . ?
N3 Eu1 N10 72.9(2) 2_665 . ?
N3 Eu1 N10 141.4(2) . . ?
N10 Eu1 N10 70.6(3) 2_665 . ?
O2 Eu1 Eu2 146.79(11) . 2_665 ?
O2 Eu1 Eu2 31.01(11) 2_665 2_665 ?
O1 Eu1 Eu2 148.66(10) . 2_665 ?
O1 Eu1 Eu2 31.70(10) 2_665 2_665 ?
O1S Eu1 Eu2 116.81(14) 2_665 2_665 ?
O1S Eu1 Eu2 66.47(14) . 2_665 ?
N3 Eu1 Eu2 94.26(13) 2_665 2_665 ?
N3 Eu1 Eu2 86.72(13) . 2_665 ?
N10 Eu1 Eu2 93.80(13) 2_665 2_665 ?
N10 Eu1 Eu2 83.51(13) . 2_665 ?
N1S Eu1 Eu2 91.640(7) . 2_665 ?
O1 Eu2 O2 60.37(15) . . ?
O1 Eu2 O2SB 91.37(19) . . ?
O2 Eu2 O2SB 75.77(19) . . ?
O1 Eu2 O3SB 80.0(2) . . ?
O2 Eu2 O3SB 112.68(19) . . ?
O2SB Eu2 O3SB 51.7(2) . . ?
O1 Eu2 O1SA 76.4(2) . . ?
O2 Eu2 O1SA 71.6(3) . . ?
O2SB Eu2 O1SA 147.1(3) . . ?
O3SB Eu2 O1SA 149.3(3) . . ?
O1 Eu2 O2SA 123.69(19) . . ?
O2 Eu2 O2SA 105.9(2) . . ?
O2SB Eu2 O2SA 141.3(2) . . ?
O3SB Eu2 O2SA 141.3(2) . . ?
O1SA Eu2 O2SA 49.0(2) . . ?
O1 Eu2 N5 60.88(16) . . ?
O2 Eu2 N5 117.75(17) . . ?
O2SB Eu2 N5 124.0(2) . . ?
O3SB Eu2 N5 74.9(3) . . ?
O1SA Eu2 N5 76.6(3) . . ?
O2SA Eu2 N5 90.2(2) . . ?
O1 Eu2 N8 120.82(17) . . ?
O2 Eu2 N8 60.59(17) . . ?
O2SB Eu2 N8 71.0(2) . . ?
O3SB Eu2 N8 120.1(2) . . ?
O1SA Eu2 N8 89.1(3) . . ?
O2SA Eu2 N8 76.5(2) . . ?
N5 Eu2 N8 164.9(2) . . ?
O1 Eu2 N6 120.32(18) . . ?
O2 Eu2 N6 174.9(2) . . ?
O2SB Eu2 N6 109.0(2) . . ?
O3SB Eu2 N6 72.1(2) . . ?
O1SA Eu2 N6 103.5(3) . . ?
O2SA Eu2 N6 69.4(2) . . ?
N5 Eu2 N6 61.31(19) . . ?
N8 Eu2 N6 118.84(19) . . ?
O1 Eu2 N7 166.85(18) . . ?
O2 Eu2 N7 120.16(17) . . ?
O2SB Eu2 N7 76.59(19) . . ?
O3SB Eu2 N7 88.3(2) . . ?
O1SA Eu2 N7 116.6(2) . . ?
O2SA Eu2 N7 69.40(19) . . ?
N5 Eu2 N7 121.80(18) . . ?
N8 Eu2 N7 60.49(19) . . ?
N6 Eu2 N7 60.49(19) . . ?
C9 O1 Eu2 122.0(4) . . ?
C9 O1 Eu1 121.9(4) . . ?
Eu2 O1 Eu1 115.75(17) . . ?
C24 O2 Eu1 121.6(4) . . ?
C24 O2 Eu2 119.6(4) . . ?
Eu1 O2 Eu2 118.62(19) . . ?
C1 N1 C5 116.2(8) . . ?
C6 N2 N3 112.0(6) . . ?
C6 N2 H2A 124.0 . . ?
N3 N2 H2A 124.0 . . ?
C8 N3 N2 105.6(6) . . ?
C8 N3 Eu1 116.9(4) . . ?
N2 N3 Eu1 133.4(4) . . ?
C9 N4 N5 109.0(5) . . ?
C10 N5 N4 114.1(6) . . ?
C10 N5 Eu2 124.1(5) . . ?
N4 N5 Eu2 121.8(4) . . ?
C11 N6 C22 117.3(6) . . ?
C11 N6 Eu2 119.7(5) . . ?
C22 N6 Eu2 122.9(5) . . ?
C20 N7 C21 117.5(6) . . ?
C20 N7 Eu2 119.9(4) . . ?
C21 N7 Eu2 122.6(5) . . ?
C23 N8 N9 115.2(6) . . ?
C23 N8 Eu2 123.4(5) . . ?
N9 N8 Eu2 120.5(4) . . ?
C24 N9 N8 110.2(6) . . ?
C25 N10 N11 105.2(6) . . ?
C25 N10 Eu1 115.0(4) . . ?
N11 N10 Eu1 139.6(4) . . ?
N10 N11 C27 112.2(6) . . ?
N10 N11 H11A 123.9 . . ?
C27 N11 H11A 123.9 . . ?
C32 N12 C28 116.5(10) . . ?
N1 C1 C2 124.5(9) . . ?
N1 C1 H1B 117.8 . . ?
C2 C1 H1B 117.8 . . ?
C3 C2 C1 118.6(8) . . ?
C3 C2 H2B 120.7 . . ?
C1 C2 H2B 120.7 . . ?
C2 C3 C4 118.6(8) . . ?
C2 C3 H3A 120.7 . . ?
C4 C3 H3A 120.7 . . ?
C3 C4 C5 119.3(8) . . ?
C3 C4 H4B 120.3 . . ?
C5 C4 H4B 120.3 . . ?
N1 C5 C4 122.8(7) . . ?
N1 C5 C6 116.0(7) . . ?
C4 C5 C6 121.1(7) . . ?
N2 C6 C7 106.4(6) . . ?
N2 C6 C5 121.4(6) . . ?
C7 C6 C5 132.2(7) . . ?
C6 C7 C8 105.1(6) . . ?
C6 C7 H7A 127.5 . . ?
C8 C7 H7A 127.5 . . ?
N3 C8 C7 110.9(6) . . ?
N3 C8 C9 116.4(6) . . ?
C7 C8 C9 132.6(6) . . ?
O1 C9 N4 125.8(6) . . ?
O1 C9 C8 116.9(6) . . ?
N4 C9 C8 117.2(6) . . ?
N5 C10 C11 117.7(7) . . ?
N5 C10 H10A 121.2 . . ?
C11 C10 H10A 121.2 . . ?
N6 C11 C12 122.5(7) . . ?
N6 C11 C10 116.9(6) . . ?
C12 C11 C10 120.5(7) . . ?
C13 C12 C11 119.4(8) . . ?
C13 C12 H12B 120.3 . . ?
C11 C12 H12B 120.3 . . ?
C12 C13 C14 118.9(7) . . ?
C12 C13 H13A 120.6 . . ?
C14 C13 H13A 120.6 . . ?
C22 C14 C13 117.6(8) . . ?
C22 C14 C15 120.6(8) . . ?
C13 C14 C15 121.8(8) . . ?
C16 C15 C14 120.1(9) . . ?
C16 C15 H15A 120.0 . . ?
C14 C15 H15A 120.0 . . ?
C15 C16 C17 121.3(8) . . ?
C15 C16 H16A 119.4 . . ?
C17 C16 H16A 119.4 . . ?
C21 C17 C18 117.3(8) . . ?
C21 C17 C16 119.8(9) . . ?
C18 C17 C16 122.8(8) . . ?
C19 C18 C17 119.1(7) . . ?
C19 C18 H18A 120.5 . . ?
C17 C18 H18A 120.5 . . ?
C18 C19 C20 119.2(8) . . ?
C18 C19 H19A 120.4 . . ?
C20 C19 H19A 120.4 . . ?
N7 C20 C19 122.8(7) . . ?
N7 C20 C23 116.0(6) . . ?
C19 C20 C23 121.1(7) . . ?
N7 C21 C17 124.0(8) . . ?
N7 C21 C22 116.8(6) . . ?
C17 C21 C22 119.1(7) . . ?
N6 C22 C14 124.2(7) . . ?
N6 C22 C21 116.7(6) . . ?
C14 C22 C21 119.1(7) . . ?
N8 C23 C20 117.3(7) . . ?
N8 C23 H23A 121.3 . . ?
C20 C23 H23A 121.3 . . ?
N9 C24 O2 124.6(6) . . ?
N9 C24 C25 118.7(6) . . ?
O2 C24 C25 116.7(6) . . ?
N10 C25 C26 111.7(6) . . ?
N10 C25 C24 117.3(6) . . ?
C26 C25 C24 131.0(6) . . ?
C27 C26 C25 104.2(6) . . ?
C27 C26 H26A 127.9 . . ?
C25 C26 H26A 127.9 . . ?
N11 C27 C26 106.7(7) . . ?
N11 C27 C28 122.0(7) . . ?
C26 C27 C28 131.3(7) . . ?
N12 C28 C29 123.2(9) . . ?
N12 C28 C27 113.9(8) . . ?
C29 C28 C27 122.9(8) . . ?
C28 C29 C30 118.8(9) . . ?
C28 C29 H29A 120.6 . . ?
C30 C29 H29A 120.6 . . ?
C29 C30 C31 119.1(9) . . ?
C29 C30 H30A 120.4 . . ?
C31 C30 H30A 120.4 . . ?
C32 C31 C30 117.9(9) . . ?
C32 C31 H31A 121.0 . . ?
C30 C31 H31A 121.0 . . ?
N12 C32 C31 124.3(11) . . ?
N12 C32 H32A 117.8 . . ?
C31 C32 H32A 117.8 . . ?
N1S O1S Eu1 96.5(5) . . ?
O2S N1S O1S 121.7(5) . . ?
O2S N1S O1S 121.7(5) . 2_665 ?
O1S N1S O1S 116.6(9) . 2_665 ?
N1SA O1SA Eu2 98.4(5) . . ?
N1SA O2SA Eu2 98.9(5) . . ?
O3SA N1SA O2SA 121.9(8) . . ?
O3SA N1SA O1SA 124.4(8) . . ?
O2SA N1SA O1SA 113.7(7) . . ?
N1SB O2SB Eu2 97.4(5) . . ?
N1SB O3SB Eu2 96.3(5) . . ?
O1SB N1SB O2SB 122.6(9) . . ?
O1SB N1SB O3SB 122.9(9) . . ?
O2SB N1SB O3SB 114.5(7) . . ?
C1SS N1SS C2SS 123(3) . . ?
C1SS N1SS C3SS 118(2) . . ?
C2SS N1SS C3SS 119(2) . . ?
O1SS C1SS N1SS 128(2) . . ?
O1SS C1SS H1SA 115.9 . . ?
N1SS C1SS H1SA 115.9 . . ?
N1SS C2SS H2SA 109.5 . . ?
N1SS C2SS H2SB 109.5 . . ?
H2SA C2SS H2SB 109.5 . . ?
N1SS C2SS H2SC 109.5 . . ?
H2SA C2SS H2SC 109.5 . . ?
H2SB C2SS H2SC 109.5 . . ?
N1SS C3SS H3SA 109.5 . . ?
N1SS C3SS H3SB 109.5 . . ?
H3SA C3SS H3SB 109.5 . . ?
N1SS C3SS H3SC 109.5 . . ?
H3SA C3SS H3SC 109.5 . . ?
H3SB C3SS H3SC 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O2 2.413(5) . ?
Eu1 O2 2.413(5) 2_665 ?
Eu1 O1 2.502(4) . ?
Eu1 O1 2.502(4) 2_665 ?
Eu1 O1S 2.527(6) 2_665 ?
Eu1 O1S 2.527(6) . ?
Eu1 N3 2.576(6) 2_665 ?
Eu1 N3 2.576(6) . ?
Eu1 N10 2.617(6) 2_665 ?
Eu1 N10 2.617(6) . ?
Eu1 Eu2 4.1892(5) 2_665 ?
Eu2 O1 2.444(4) . ?
Eu2 O2 2.459(5) . ?
Eu2 O2SB 2.472(6) . ?
Eu2 O3SB 2.492(7) . ?
Eu2 O1SA 2.515(7) . ?
Eu2 O2SA 2.519(6) . ?
Eu2 N5 2.557(6) . ?
Eu2 N8 2.575(6) . ?
Eu2 N6 2.650(6) . ?
Eu2 N7 2.653(6) . ?
O1 C9 1.287(8) . ?
O2 C24 1.312(8) . ?
N1 C1 1.345(11) . ?
N1 C5 1.350(10) . ?
N2 C6 1.352(9) . ?
N2 N3 1.354(8) . ?
N2 H2A 0.8800 . ?
N3 C8 1.329(9) . ?
N4 C9 1.313(8) . ?
N4 N5 1.393(8) . ?
N5 C10 1.294(9) . ?
N6 C11 1.331(10) . ?
N6 C22 1.347(9) . ?
N7 C20 1.343(9) . ?
N7 C21 1.347(9) . ?
N8 C23 1.290(9) . ?
N8 N9 1.385(9) . ?
N9 C24 1.303(8) . ?
N10 C25 1.335(9) . ?
N10 N11 1.340(8) . ?
N11 C27 1.357(10) . ?
N11 H11A 0.8800 . ?
N12 C32 1.337(14) . ?
N12 C28 1.351(12) . ?
C1 C2 1.383(14) . ?
C1 H1B 0.9500 . ?
C2 C3 1.372(14) . ?
C2 H2B 0.9500 . ?
C3 C4 1.387(11) . ?
C3 H3A 0.9500 . ?
C4 C5 1.392(11) . ?
C4 H4B 0.9500 . ?
C5 C6 1.463(10) . ?
C6 C7 1.389(10) . ?
C7 C8 1.405(9) . ?
C7 H7A 0.9500 . ?
C8 C9 1.473(9) . ?
C10 C11 1.453(11) . ?
C10 H10A 0.9500 . ?
C11 C12 1.416(10) . ?
C12 C13 1.371(14) . ?
C12 H12B 0.9500 . ?
C13 C14 1.402(13) . ?
C13 H13A 0.9500 . ?
C14 C22 1.394(10) . ?
C14 C15 1.444(13) . ?
C15 C16 1.348(16) . ?
C15 H15A 0.9500 . ?
C16 C17 1.440(13) . ?
C16 H16A 0.9500 . ?
C17 C21 1.403(10) . ?
C17 C18 1.412(14) . ?
C18 C19 1.377(12) . ?
C18 H18A 0.9500 . ?
C19 C20 1.407(9) . ?
C19 H19A 0.9500 . ?
C20 C23 1.451(11) . ?
C21 C22 1.459(11) . ?
C23 H23A 0.9500 . ?
C24 C25 1.454(9) . ?
C25 C26 1.401(10) . ?
C26 C27 1.392(10) . ?
C26 H26A 0.9500 . ?
C27 C28 1.474(12) . ?
C28 C29 1.360(12) . ?
C29 C30 1.381(12) . ?
C29 H29A 0.9500 . ?
C30 C31 1.382(15) . ?
C30 H30A 0.9500 . ?
C31 C32 1.363(17) . ?
C31 H31A 0.9500 . ?
C32 H32A 0.9500 . ?
O1S N1S 1.263(8) . ?
O2S N1S 1.227(12) . ?
O1SA N1SA 1.260(9) . ?
O2SA N1SA 1.235(9) . ?
O3SA N1SA 1.205(10) . ?
O1SB N1SB 1.211(9) . ?
O2SB N1SB 1.282(10) . ?
O3SB N1SB 1.290(11) . ?
O1SS C1SS 1.23(2) . ?
N1SS C1SS 1.33(3) . ?
N1SS C2SS 1.45(3) . ?
N1SS C3SS 1.67(4) . ?
C1SS H1SA 0.9500 . ?
C2SS H2SA 0.9800 . ?
C2SS H2SB 0.9800 . ?
C2SS H2SC 0.9800 . ?
C3SS H3SA 0.9800 . ?
C3SS H3SB 0.9800 . ?
C3SS H3SC 0.9800 . ?
