#------------------------------------------------------------------------------
#$Date: 2025-01-06 13:48:52 +0200 (Mon, 06 Jan 2025) $
#$Revision: 297106 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/96/7249616.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_7249616
loop_
_publ_author_name
'Shen, Yue'
'Jin, Jiu-Zeng'
'Yang, Zhen-Yu'
'Zhao, Jie'
'Liu, Bin-Qiu'
'Zhang, Ju-Wen'
_publ_section_title
;
 Syntheses and properties of two pH-directed types of cobalt--lanthanoid
 heterometallic complexes constructed from 2,5-dichlorobenzoate and
 1,10-phenanthroline
;
_journal_issue                   48
_journal_name_full               CrystEngComm
_journal_page_first              6873
_journal_page_last               6882
_journal_paper_doi               10.1039/D4CE00886C
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C94 H46 Cl20 Co2 Eu2 N4 O20'
_chemical_formula_sum            'C94 H46 Cl20 Co2 Eu2 N4 O20'
_chemical_formula_weight         2682.13
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-01-24
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_audit_update_record
;
2022-07-08 deposited with the CCDC.	2024-11-14 downloaded from the CCDC.
;
_cell_angle_alpha                113.6270(10)
_cell_angle_beta                 105.3730(10)
_cell_angle_gamma                105.3520(10)
_cell_formula_units_Z            1
_cell_length_a                   14.2019(7)
_cell_length_b                   14.8248(6)
_cell_length_c                   14.9537(6)
_cell_measurement_reflns_used    7814
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      27.90
_cell_measurement_theta_min      2.31
_cell_volume                     2524.1(2)
_computing_cell_refinement       'SAINT V8.18C (?, 2016)'
_computing_data_reduction        'SAINT V8.18C (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0241
_diffrn_reflns_av_unetI/netI     0.0478
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18734
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.379
_diffrn_reflns_theta_min         1.634
_diffrn_source_current           30.0
_diffrn_source_power             1.2
_diffrn_source_voltage           40.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.148
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_description       block
_exptl_crystal_F_000             1318
_refine_diff_density_max         0.772
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         12498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0343P)²+0.7555P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0803
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10739
_reflns_number_total             12498
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00886c2.cif
_cod_data_source_block           1_CCDC5
_cod_depositor_comments
'Adding full bibliography for 7249611--7249621.cif.'
_cod_original_cell_volume        2524.08(19)
_cod_database_code               7249616
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C22(H22), C26(H26), C28(H28), C32(H32), C36(H36), C40(H40), C44(H44),
 C23(H23), C25(H25), C27(H27), C7(H7), C29(H29), C15(H15), C47(H47), C17(H17),
 C9(H9), C37(H37), C39(H39), C5(H5), C41(H41), C21(H21), C11(H11), C45(H45)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
Eu Eu 0.39462(2) 0.58008(2) 0.48138(2) 0.02333(4) Uani 1 1 d . . . . .
Co1 Co 0.44892(3) 0.78910(3) 0.76614(3) 0.03443(9) Uani 1 1 d . . . . .
Cl03 Cl 0.08044(8) 0.65530(8) 0.72781(7) 0.0584(2) Uani 1 1 d . . . . .
Cl04 Cl 0.74827(9) 0.86937(8) 0.79066(8) 0.0658(3) Uani 1 1 d . . . . .
Cl05 Cl 0.61169(10) 1.09676(7) 0.73464(8) 0.0707(3) Uani 1 1 d . . . . .
Cl06 Cl 0.24295(11) 0.62693(9) 0.14829(10) 0.0812(4) Uani 1 1 d . . . . .
Cl07 Cl 0.59206(11) 0.63644(9) 0.26790(8) 0.0779(3) Uani 1 1 d . . . . .
Cl08 Cl 0.70291(13) 0.64307(13) 1.05732(10) 0.0932(5) Uani 1 1 d . . . . .
Cl09 Cl -0.08394(12) 0.15236(11) -0.04761(11) 0.1030(5) Uani 1 1 d . . . . .
Cl0A Cl -0.05452(13) 0.60371(13) 0.27367(10) 0.0962(4) Uani 1 1 d . . . . .
Cl0B Cl 1.03311(11) 0.94062(11) 0.66066(15) 0.1126(5) Uani 1 1 d . . . . .
Cl0C Cl 0.17257(16) 0.92176(15) 0.35588(13) 0.1219(6) Uani 1 1 d . . . . .
O1 O 0.50280(17) 0.68448(16) 0.68246(15) 0.0351(5) Uani 1 1 d . . . . .
O4 O 0.66227(17) 0.56191(16) 0.48035(17) 0.0368(5) Uani 1 1 d . . . . .
O6 O 0.56656(16) 0.66162(16) 0.48827(17) 0.0357(5) Uani 1 1 d . . . . .
O8 O 0.57100(18) 0.56744(16) 0.63027(16) 0.0375(5) Uani 1 1 d . . . . .
O10 O 0.2888(2) 0.7429(2) 0.7093(2) 0.0615(7) Uani 1 1 d . . . . .
O5 O 0.4166(2) 0.76363(17) 0.53216(18) 0.0497(6) Uani 1 1 d . . . . .
O3 O 0.3290(2) 0.57329(19) 0.31035(18) 0.0548(7) Uani 1 1 d . . . . .
O7 O 0.4692(2) 0.88428(18) 0.70345(19) 0.0563(7) Uani 1 1 d . . . . .
O2 O 0.2181(2) 0.4581(2) 0.33114(19) 0.0598(7) Uani 1 1 d . . . . .
N1 N 0.5615(2) 0.9136(2) 0.9184(2) 0.0371(6) Uani 1 1 d . . . . .
C1 C 0.5720(2) 0.6473(2) 0.7022(2) 0.0282(6) Uani 1 1 d . . . . .
O9 O 0.2750(2) 0.6168(2) 0.5594(2) 0.0565(7) Uani 1 1 d . . . . .
C4 C 0.1217(2) 0.6494(2) 0.5577(2) 0.0322(6) Uani 1 1 d . . . . .
N3 N 0.4303(2) 0.7176(2) 0.8628(2) 0.0466(7) Uani 1 1 d . . . . .
C2 C 0.6448(2) 0.6406(2) 0.4811(2) 0.0291(6) Uani 1 1 d . . . . .
C6 C 0.2363(2) 0.6708(2) 0.6129(3) 0.0354(6) Uani 1 1 d . . . . .
C8 C 0.6541(2) 0.7029(2) 0.8160(2) 0.0297(6) Uani 1 1 d . . . . .
C10 C 0.2400(3) 0.4974(3) 0.2755(2) 0.0367(7) Uani 1 1 d . . . . .
C12 C 0.4376(3) 0.8541(2) 0.6058(3) 0.0362(7) Uani 1 1 d . . . . .
C14 C 0.0467(2) 0.6413(2) 0.6012(2) 0.0354(6) Uani 1 1 d . . . . .
C16 C 0.7308(2) 0.7198(2) 0.4738(3) 0.0342(6) Uani 1 1 d . . . . .
C18 C 0.7350(3) 0.8050(3) 0.8646(2) 0.0403(7) Uani 1 1 d . . . . .
C20 C 0.4172(3) 0.9355(2) 0.5752(3) 0.0413(7) Uani 1 1 d . . . . .
C22 C 0.0884(3) 0.6354(3) 0.4553(3) 0.0427(7) Uani 1 1 d . . . . .
H22 H 0.136679 0.638728 0.423812 0.051 Uiso 1 1 calc R U . . .
C24 C 0.4984(3) 0.7848(3) 0.9682(3) 0.0417(7) Uani 1 1 d . . . . .
C26 C 0.6458(3) 0.6518(3) 0.8755(2) 0.0406(7) Uani 1 1 d . . . . .
H26 H 0.592987 0.581985 0.843655 0.049 Uiso 1 1 calc R U . . .
C28 C 0.8289(3) 0.7885(2) 0.5610(3) 0.0450(8) Uani 1 1 d . . . . .
H28 H 0.841416 0.789386 0.625654 0.054 Uiso 1 1 calc R U . . .
C30 C 0.5706(3) 0.8889(3) 0.9975(2) 0.0379(7) Uani 1 1 d . . . . .
C32 C 0.0819(3) 0.3401(3) 0.1154(3) 0.0463(8) Uani 1 1 d . . . . .
H32 H 0.080389 0.306458 0.156119 0.056 Uiso 1 1 calc R U . . .
C34 C 0.1582(3) 0.4452(3) 0.1610(2) 0.0389(7) Uani 1 1 d . . . . .
C36 C -0.0589(3) 0.6166(3) 0.5425(3) 0.0487(9) Uani 1 1 d . . . . .
H36 H -0.109061 0.608027 0.571196 0.058 Uiso 1 1 calc R U . . .
C38 C 0.4889(4) 1.0443(3) 0.6283(3) 0.0505(9) Uani 1 1 d . . . . .
C40 C 0.6270(3) 1.0114(3) 0.9437(3) 0.0528(9) Uani 1 1 d . . . . .
H40 H 0.620964 1.029433 0.890215 0.063 Uiso 1 1 calc R U . . .
C42 C 0.1562(3) 0.4933(3) 0.0978(3) 0.0498(8) Uani 1 1 d . . . . .
C44 C -0.0899(3) 0.6049(3) 0.4425(3) 0.0532(9) Uani 1 1 d . . . . .
H44 H -0.160809 0.588939 0.403174 0.064 Uiso 1 1 calc R U . . .
C46 C 0.7170(3) 0.7057(3) 0.9826(3) 0.0518(9) Uani 1 1 d . . . . .
C23 C 0.7048(4) 1.0877(3) 1.0484(3) 0.0677(12) Uani 1 1 d . . . . .
H23 H 0.749623 1.155399 1.063739 0.081 Uiso 1 1 calc R U . . .
C3 C -0.0153(3) 0.6167(3) 0.4000(3) 0.0528(9) Uani 1 1 d . . . . .
C25 C 0.3207(4) 0.8981(3) 0.4901(3) 0.0551(10) Uani 1 1 d . . . . .
H25 H 0.272696 0.825420 0.452966 0.066 Uiso 1 1 calc R U . . .
C13 C 0.5008(4) 0.7563(4) 1.0477(3) 0.0589(10) Uani 1 1 d . . . . .
C27 C 0.0078(4) 0.3329(4) -0.0529(3) 0.0696(12) Uani 1 1 d . . . . .
H27 H -0.041494 0.294525 -0.124567 0.083 Uiso 1 1 calc R U . . .
C7 C 0.8072(3) 0.8572(3) 0.9714(3) 0.0576(10) Uani 1 1 d . . . . .
H7 H 0.861927 0.925909 1.002805 0.069 Uiso 1 1 calc R U . . .
C29 C 0.3603(4) 0.6214(4) 0.8337(4) 0.0732(13) Uani 1 1 d . . . . .
H29 H 0.313049 0.574640 0.761586 0.088 Uiso 1 1 calc R U . . .
C15 C 0.0807(4) 0.4372(4) -0.0083(3) 0.0668(11) Uani 1 1 d . . . . .
H15 H 0.079828 0.470697 -0.049202 0.080 Uiso 1 1 calc R U . . .
C31 C 0.0081(3) 0.2857(3) 0.0093(3) 0.0595(10) Uani 1 1 d . . . . .
C47 C 0.7978(4) 0.8074(4) 1.0306(3) 0.0613(11) Uani 1 1 d . . . . .
H47 H 0.845582 0.842115 1.102414 0.074 Uiso 1 1 calc R U . . .
C33 C 0.6465(3) 0.9631(3) 1.1054(3) 0.0538(9) Uani 1 1 d . . . . .
C17 C 0.3696(5) 1.0769(4) 0.5122(4) 0.0799(16) Uani 1 1 d . . . . .
H17 H 0.353607 1.123513 0.490043 0.096 Uiso 1 1 calc R U . . .
C35 C 0.7149(3) 0.7217(3) 0.3785(3) 0.0476(8) Uani 1 1 d . . . . .
C9 C 0.4643(5) 1.1134(3) 0.5944(3) 0.0672(13) Uani 1 1 d . . . . .
H9 H 0.513656 1.185266 0.628748 0.081 Uiso 1 1 calc R U . . .
C37 C 0.7150(4) 1.0634(3) 1.1275(3) 0.0687(12) Uani 1 1 d . . . . .
H37 H 0.767924 1.113800 1.196718 0.082 Uiso 1 1 calc R U . . .
C19 C 0.9095(3) 0.8570(3) 0.5511(4) 0.0608(11) Uani 1 1 d . . . . .
C39 C 0.5773(4) 0.8323(5) 1.1555(3) 0.0746(14) Uani 1 1 d . . . . .
H39 H 0.578748 0.813925 1.208319 0.090 Uiso 1 1 calc R U . . .
C5 C 0.6476(4) 0.9301(4) 1.1829(3) 0.0713(13) Uani 1 1 d . . . . .
H5 H 0.697986 0.977176 1.253922 0.086 Uiso 1 1 calc R U . . .
C41 C 0.3544(4) 0.5870(5) 0.9071(5) 0.0937(18) Uani 1 1 d . . . . .
H41 H 0.302984 0.519109 0.884079 0.112 Uiso 1 1 calc R U . . .
C21 C 0.4242(5) 0.6534(5) 1.0125(5) 0.0882(16) Uani 1 1 d . . . . .
H21 H 0.421154 0.630428 1.061507 0.106 Uiso 1 1 calc R U . . .
C43 C 0.2955(4) 0.9688(4) 0.4603(3) 0.0716(13) Uani 1 1 d . . . . .
C11 C 0.7962(4) 0.7883(3) 0.3699(4) 0.0714(13) Uani 1 1 d . . . . .
H11 H 0.784409 0.787437 0.305251 0.086 Uiso 1 1 calc R U . . .
C45 C 0.8936(4) 0.8554(3) 0.4556(4) 0.0732(13) Uani 1 1 d . . . . .
H45 H 0.948757 0.899638 0.449588 0.088 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O1 Eu O8 45.78(6) . . ?
O4 Eu O1 80.44(7) 2_666 . ?
O4 Eu O8 72.76(7) 2_666 2_666 ?
O4 Eu O8 64.96(7) 2_666 . ?
O4 Eu O5 143.65(7) 2_666 . ?
O4 Eu O3 128.04(8) 2_666 . ?
O4 Eu O2 78.33(8) 2_666 . ?
O6 Eu O1 81.06(7) . . ?
O6 Eu O4 126.49(7) . 2_666 ?
O6 Eu O8 66.19(6) . . ?
O6 Eu O8 73.86(7) . 2_666 ?
O6 Eu O5 77.00(8) . . ?
O6 Eu O3 83.77(8) . . ?
O6 Eu O2 132.04(7) . . ?
O8 Eu O1 119.42(7) 2_666 . ?
O8 Eu O8 73.64(7) 2_666 . ?
O8 Eu O3 79.06(8) 2_666 . ?
O8 Eu O2 77.64(9) 2_666 . ?
O5 Eu O1 76.42(7) . . ?
O5 Eu O8 113.58(7) . . ?
O5 Eu O8 143.46(7) . 2_666 ?
O5 Eu O3 76.29(8) . . ?
O5 Eu O2 107.40(10) . . ?
O3 Eu O1 151.11(7) . . ?
O3 Eu O8 143.78(8) . . ?
O3 Eu O2 53.19(8) . . ?
O2 Eu O1 146.91(7) . . ?
O2 Eu O8 138.48(8) . . ?
O9 Eu O1 73.26(8) . . ?
O9 Eu O4 75.31(8) . 2_666 ?
O9 Eu O6 142.96(8) . . ?
O9 Eu O8 109.70(8) . . ?
O9 Eu O8 142.42(8) . 2_666 ?
O9 Eu O5 71.40(9) . . ?
O9 Eu O3 106.46(10) . . ?
O9 Eu O2 76.97(9) . . ?
O1 Co1 N1 115.25(9) . . ?
O1 Co1 N3 93.63(10) . . ?
O10 Co1 O1 117.09(10) . . ?
O10 Co1 N1 126.00(10) . . ?
O10 Co1 N3 86.54(12) . . ?
O7 Co1 O1 97.85(9) . . ?
O7 Co1 O10 92.87(12) . . ?
O7 Co1 N1 92.46(10) . . ?
O7 Co1 N3 167.37(11) . . ?
N1 Co1 N3 77.82(11) . . ?
Co1 O1 Eu 114.48(9) . . ?
C1 O1 Eu 107.11(16) . . ?
C1 O1 Co1 138.05(18) . . ?
C2 O4 Eu 141.85(19) . 2_666 ?
C2 O6 Eu 140.02(17) . . ?
Eu O8 Eu 106.36(7) 2_666 . ?
C1 O8 Eu 85.75(16) . . ?
C1 O8 Eu 167.6(2) . 2_666 ?
C6 O10 Co1 115.5(2) . . ?
C12 O5 Eu 146.4(2) . . ?
C10 O3 Eu 92.87(19) . . ?
C12 O7 Co1 126.34(19) . . ?
C10 O2 Eu 92.35(19) . . ?
C30 N1 Co1 115.2(2) . . ?
C40 N1 Co1 126.4(2) . . ?
C40 N1 C30 118.4(3) . . ?
O1 C1 C8 117.9(2) . . ?
O8 C1 O1 121.1(3) . . ?
O8 C1 C8 121.0(2) . . ?
C6 O9 Eu 158.6(2) . . ?
C14 C4 C6 124.8(3) . . ?
C22 C4 C6 117.0(3) . . ?
C22 C4 C14 118.2(3) . . ?
C24 N3 Co1 113.2(2) . . ?
C29 N3 Co1 128.7(3) . . ?
C29 N3 C24 118.1(3) . . ?
O4 C2 C16 114.9(2) . . ?
O6 C2 O4 128.0(3) . . ?
O6 C2 C16 117.0(2) . . ?
O10 C6 C4 118.8(3) . . ?
O9 C6 O10 123.1(3) . . ?
O9 C6 C4 118.1(3) . . ?
C18 C8 C1 121.9(3) . . ?
C18 C8 C26 119.0(3) . . ?
C26 C8 C1 119.1(3) . . ?
O3 C10 C34 120.5(3) . . ?
O2 C10 O3 121.6(3) . . ?
O2 C10 C34 117.8(3) . . ?
O5 C12 O7 126.5(3) . . ?
O5 C12 C20 117.5(3) . . ?
O7 C12 C20 115.8(3) . . ?
C4 C14 Cl03 121.4(2) . . ?
C36 C14 Cl03 117.7(3) . . ?
C36 C14 C4 120.8(3) . . ?
C28 C16 C2 120.0(3) . . ?
C28 C16 C35 118.6(3) . . ?
C35 C16 C2 121.4(3) . . ?
C8 C18 Cl04 119.7(2) . . ?
C8 C18 C7 121.2(3) . . ?
C7 C18 Cl04 119.2(3) . . ?
C38 C20 C12 123.9(3) . . ?
C25 C20 C12 117.1(3) . . ?
C25 C20 C38 119.0(3) . . ?
C4 C22 H22 119.8 . . ?
C3 C22 C4 120.4(3) . . ?
C3 C22 H22 119.8 . . ?
N3 C24 C30 116.7(3) . . ?
N3 C24 C13 123.7(3) . . ?
C13 C24 C30 119.6(3) . . ?
C8 C26 H26 120.3 . . ?
C46 C26 C8 119.3(3) . . ?
C46 C26 H26 120.3 . . ?
C16 C28 H28 120.4 . . ?
C16 C28 C19 119.3(4) . . ?
C19 C28 H28 120.4 . . ?
N1 C30 C24 117.0(3) . . ?
N1 C30 C33 122.6(3) . . ?
C33 C30 C24 120.4(3) . . ?
C34 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C31 C32 C34 119.8(3) . . ?
C32 C34 C10 116.9(3) . . ?
C32 C34 C42 118.2(3) . . ?
C42 C34 C10 124.9(3) . . ?
C14 C36 H36 119.9 . . ?
C44 C36 C14 120.1(3) . . ?
C44 C36 H36 119.9 . . ?
C20 C38 Cl05 121.7(3) . . ?
C9 C38 Cl05 118.0(3) . . ?
C9 C38 C20 120.3(4) . . ?
N1 C40 H40 119.1 . . ?
N1 C40 C23 121.8(4) . . ?
C23 C40 H40 119.1 . . ?
C34 C42 Cl06 122.3(3) . . ?
C15 C42 Cl06 116.8(3) . . ?
C15 C42 C34 120.8(4) . . ?
C36 C44 H44 120.2 . . ?
C36 C44 C3 119.6(4) . . ?
C3 C44 H44 120.2 . . ?
C26 C46 Cl08 118.9(3) . . ?
C47 C46 Cl08 119.6(3) . . ?
C47 C46 C26 121.4(3) . . ?
C40 C23 H23 119.9 . . ?
C37 C23 C40 120.2(4) . . ?
C37 C23 H23 119.9 . . ?
C22 C3 Cl0A 119.8(3) . . ?
C22 C3 C44 120.7(3) . . ?
C44 C3 Cl0A 119.5(3) . . ?
C20 C25 H25 120.0 . . ?
C20 C25 C43 120.0(4) . . ?
C43 C25 H25 120.0 . . ?
C24 C13 C39 119.0(4) . . ?
C21 C13 C24 115.8(4) . . ?
C21 C13 C39 125.2(4) . . ?
C15 C27 H27 120.4 . . ?
C15 C27 C31 119.1(4) . . ?
C31 C27 H27 120.4 . . ?
C18 C7 H7 120.1 . . ?
C47 C7 C18 119.8(4) . . ?
C47 C7 H7 120.1 . . ?
N3 C29 H29 118.8 . . ?
N3 C29 C41 122.4(5) . . ?
C41 C29 H29 118.8 . . ?
C42 C15 H15 119.8 . . ?
C27 C15 C42 120.4(4) . . ?
C27 C15 H15 119.8 . . ?
C32 C31 Cl09 119.0(3) . . ?
C27 C31 Cl09 119.3(3) . . ?
C27 C31 C32 121.6(4) . . ?
C46 C47 H47 120.4 . . ?
C7 C47 C46 119.3(3) . . ?
C7 C47 H47 120.4 . . ?
C30 C33 C5 118.2(4) . . ?
C37 C33 C30 116.9(3) . . ?
C37 C33 C5 124.9(4) . . ?
C9 C17 H17 120.1 . . ?
C9 C17 C43 119.8(4) . . ?
C43 C17 H17 120.1 . . ?
C16 C35 Cl07 119.5(3) . . ?
C11 C35 Cl07 119.3(3) . . ?
C11 C35 C16 121.2(4) . . ?
C38 C9 H9 119.8 . . ?
C17 C9 C38 120.5(4) . . ?
C17 C9 H9 119.8 . . ?
C23 C37 C33 120.1(4) . . ?
C23 C37 H37 120.0 . . ?
C33 C37 H37 120.0 . . ?
C28 C19 Cl0B 118.5(4) . . ?
C45 C19 Cl0B 120.1(3) . . ?
C45 C19 C28 121.3(4) . . ?
C13 C39 H39 119.3 . . ?
C5 C39 C13 121.5(4) . . ?
C5 C39 H39 119.3 . . ?
C33 C5 H5 119.3 . . ?
C39 C5 C33 121.3(4) . . ?
C39 C5 H5 119.3 . . ?
C29 C41 H41 120.2 . . ?
C21 C41 C29 119.6(5) . . ?
C21 C41 H41 120.2 . . ?
C13 C21 H21 119.8 . . ?
C41 C21 C13 120.4(4) . . ?
C41 C21 H21 119.8 . . ?
C25 C43 Cl0C 119.6(4) . . ?
C25 C43 C17 120.2(5) . . ?
C17 C43 Cl0C 120.1(3) . . ?
C35 C11 H11 119.9 . . ?
C45 C11 C35 120.3(4) . . ?
C45 C11 H11 119.9 . . ?
C19 C45 H45 120.3 . . ?
C11 C45 C19 119.3(4) . . ?
C11 C45 H45 120.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu O1 2.5217(19) . ?
Eu O4 2.3921(18) 2_666 ?
Eu O6 2.375(2) . ?
Eu O8 2.4249(19) 2_666 ?
Eu O8 2.982(2) . ?
Eu O5 2.4178(19) . ?
Eu O3 2.429(2) . ?
Eu O2 2.441(2) . ?
Eu O9 2.361(2) . ?
Co1 O1 2.034(2) . ?
Co1 O10 2.012(3) . ?
Co1 O7 1.985(2) . ?
Co1 N1 2.070(3) . ?
Co1 N2 2.137(3) . ?
Cl03 C14 1.735(3) . ?
Cl04 C18 1.741(3) . ?
Cl05 C38 1.731(4) . ?
Cl06 C42 1.740(4) . ?
Cl07 C35 1.733(4) . ?
Cl08 C46 1.733(4) . ?
Cl09 C31 1.742(4) . ?
Cl0A C3 1.735(4) . ?
Cl0B C19 1.731(4) . ?
Cl0C C43 1.734(5) . ?
O1 C1 1.273(3) . ?
O4 C2 1.252(3) . ?
O6 C2 1.250(3) . ?
O8 C1 1.233(3) . ?
O10 C6 1.245(4) . ?
O5 C12 1.238(3) . ?
O3 C10 1.250(4) . ?
O7 C12 1.247(4) . ?
O2 C10 1.248(4) . ?
N1 C30 1.357(4) . ?
N1 C40 1.330(4) . ?
C1 C8 1.500(4) . ?
O9 C6 1.240(4) . ?
C4 C6 1.494(4) . ?
C4 C14 1.390(4) . ?
C4 C22 1.387(4) . ?
N3 C24 1.355(4) . ?
N3 C29 1.317(5) . ?
C2 C16 1.515(4) . ?
C8 C18 1.376(4) . ?
C8 C26 1.389(4) . ?
C10 C34 1.513(4) . ?
C12 C20 1.519(4) . ?
C14 C36 1.382(5) . ?
C16 C28 1.378(5) . ?
C16 C35 1.396(4) . ?
C18 C7 1.386(5) . ?
C20 C38 1.394(5) . ?
C20 C25 1.383(5) . ?
C22 H22 0.9300 . ?
C22 C3 1.373(5) . ?
C24 C30 1.417(5) . ?
C24 C13 1.407(5) . ?
C26 H26 0.9300 . ?
C26 C46 1.383(5) . ?
C28 H28 0.9300 . ?
C28 C19 1.399(5) . ?
C30 C33 1.415(5) . ?
C32 H32 0.9300 . ?
C32 C34 1.389(5) . ?
C32 C31 1.383(5) . ?
C34 C42 1.393(5) . ?
C36 H36 0.9300 . ?
C36 C44 1.365(5) . ?
C38 C9 1.393(5) . ?
C40 H40 0.9300 . ?
C40 C23 1.398(5) . ?
C42 C15 1.387(5) . ?
C44 H44 0.9300 . ?
C44 C3 1.379(6) . ?
C46 C47 1.373(6) . ?
C23 H23 0.9300 . ?
C23 C37 1.351(6) . ?
C25 H25 0.9300 . ?
C25 C43 1.384(5) . ?
C13 C39 1.420(6) . ?
C13 C21 1.400(7) . ?
C27 H27 0.9300 . ?
C27 C15 1.366(6) . ?
C27 C31 1.369(6) . ?
C7 H7 0.9300 . ?
C7 C47 1.372(6) . ?
C29 H29 0.9300 . ?
C29 C41 1.395(6) . ?
C15 H15 0.9300 . ?
C47 H47 0.9300 . ?
C33 C37 1.392(6) . ?
C33 C5 1.426(6) . ?
C17 H17 0.9300 . ?
C17 C9 1.349(7) . ?
C17 C43 1.398(7) . ?
C35 C11 1.378(5) . ?
C9 H9 0.9300 . ?
C37 H37 0.9300 . ?
C19 C45 1.375(6) . ?
C39 H39 0.9300 . ?
C39 C5 1.345(7) . ?
C5 H5 0.9300 . ?
C41 H41 0.9300 . ?
C41 C21 1.359(7) . ?
C21 H21 0.9300 . ?
C11 H11 0.9300 . ?
C11 C45 1.362(7) . ?
C45 H45 0.9300 . ?
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
Eu O1 C1 O8 -6.4(3) . . . . ?
Eu O1 C1 C8 174.39(19) . . . . ?
Eu O4 C2 O6 -14.6(5) 2_666 . . . ?
Eu O4 C2 C16 164.6(2) 2_666 . . . ?
Eu O6 C2 O4 -10.8(5) . . . . ?
Eu O6 C2 C16 170.1(2) . . . . ?
Eu O8 C1 O1 5.1(2) . . . . ?
Eu O8 C1 O1 172.5(7) 2_666 . . . ?
Eu O8 C1 C8 -175.6(2) . . . . ?
Eu O8 C1 C8 -8.2(10) 2_666 . . . ?
Eu O5 C12 O7 7.4(7) . . . . ?
Eu O5 C12 C20 -168.8(3) . . . . ?
Eu O3 C10 O2 0.6(3) . . . . ?
Eu O3 C10 C34 -175.1(2) . . . . ?
Eu O2 C10 O3 -0.6(3) . . . . ?
Eu O2 C10 C34 175.2(2) . . . . ?
Eu O9 C6 O10 -54.7(8) . . . . ?
Eu O9 C6 C4 123.9(6) . . . . ?
Co1 O1 C1 O8 165.9(2) . . . . ?
Co1 O1 C1 C8 -13.3(4) . . . . ?
Co1 O10 C6 O9 12.3(4) . . . . ?
Co1 O10 C6 C4 -166.3(2) . . . . ?
Co1 O7 C12 O5 -22.5(5) . . . . ?
Co1 O7 C12 C20 153.8(2) . . . . ?
Co1 N1 C30 C24 -3.8(3) . . . . ?
Co1 N1 C30 C33 177.5(2) . . . . ?
Co1 N1 C40 C23 -176.2(3) . . . . ?
Co1 N3 C24 C30 -0.7(4) . . . . ?
Co1 N3 C24 C13 179.5(3) . . . . ?
Co1 N3 C29 C41 -177.1(4) . . . . ?
Cl03 C14 C36 C44 179.9(2) . . . . ?
Cl04 C18 C7 C47 -179.9(3) . . . . ?
Cl05 C38 C9 C17 -179.8(3) . . . . ?
Cl06 C42 C15 C27 -178.1(4) . . . . ?
Cl07 C35 C11 C45 -179.5(3) . . . . ?
Cl08 C46 C47 C7 -178.8(3) . . . . ?
Cl0B C19 C45 C11 179.4(3) . . . . ?
O1 C1 C8 C18 -70.1(4) . . . . ?
O1 C1 C8 C26 107.3(3) . . . . ?
O4 C2 C16 C28 -72.7(4) . . . . ?
O4 C2 C16 C35 104.2(3) . . . . ?
O6 C2 C16 C28 106.5(3) . . . . ?
O6 C2 C16 C35 -76.5(4) . . . . ?
O8 C1 C8 C18 110.7(3) . . . . ?
O8 C1 C8 C26 -72.0(4) . . . . ?
O5 C12 C20 C38 -135.7(3) . . . . ?
O5 C12 C20 C25 45.1(4) . . . . ?
O3 C10 C34 C32 156.6(3) . . . . ?
O3 C10 C34 C42 -21.3(5) . . . . ?
O7 C12 C20 C38 47.7(5) . . . . ?
O7 C12 C20 C25 -131.5(3) . . . . ?
O2 C10 C34 C32 -19.3(4) . . . . ?
O2 C10 C34 C42 162.9(3) . . . . ?
N1 C30 C33 C37 -1.8(5) . . . . ?
N1 C30 C33 C5 178.5(3) . . . . ?
N1 C40 C23 C37 -0.1(7) . . . . ?
C1 C8 C18 Cl04 -3.9(4) . . . . ?
C1 C8 C18 C7 177.0(3) . . . . ?
C1 C8 C26 C46 -175.7(3) . . . . ?
C4 C14 C36 C44 -3.1(5) . . . . ?
C4 C22 C3 Cl0A 178.0(2) . . . . ?
C4 C22 C3 C44 -4.0(5) . . . . ?
N3 C24 C30 N1 3.0(4) . . . . ?
N3 C24 C30 C33 -178.3(3) . . . . ?
N3 C24 C13 C39 178.6(3) . . . . ?
N3 C24 C13 C21 -2.5(6) . . . . ?
N3 C29 C41 C21 -1.3(8) . . . . ?
C2 C16 C28 C19 176.5(3) . . . . ?
C2 C16 C35 Cl07 3.2(4) . . . . ?
C2 C16 C35 C11 -175.2(3) . . . . ?
C6 C4 C14 Cl03 -0.3(4) . . . . ?
C6 C4 C14 C36 -177.1(3) . . . . ?
C6 C4 C22 C3 -179.2(3) . . . . ?
C8 C18 C7 C47 -0.8(5) . . . . ?
C8 C26 C46 Cl08 177.7(2) . . . . ?
C8 C26 C46 C47 -2.0(5) . . . . ?
C10 C34 C42 Cl06 -5.8(5) . . . . ?
C10 C34 C42 C15 177.1(3) . . . . ?
C12 C20 C38 Cl05 1.4(5) . . . . ?
C12 C20 C38 C9 179.5(3) . . . . ?
C12 C20 C25 C43 177.9(3) . . . . ?
C14 C4 C6 O10 -44.8(4) . . . . ?
C14 C4 C6 O9 136.5(3) . . . . ?
C14 C4 C22 C3 1.5(5) . . . . ?
C14 C36 C44 C3 0.6(5) . . . . ?
C16 C28 C19 Cl0B -178.7(2) . . . . ?
C16 C28 C19 C45 -1.4(6) . . . . ?
C16 C35 C11 C45 -1.1(6) . . . . ?
C18 C8 C26 C46 1.7(4) . . . . ?
C18 C7 C47 C46 0.5(6) . . . . ?
C20 C38 C9 C17 2.2(6) . . . . ?
C20 C25 C43 Cl0C -178.2(3) . . . . ?
C20 C25 C43 C17 3.3(6) . . . . ?
C22 C4 C6 O10 136.0(3) . . . . ?
C22 C4 C6 O9 -42.7(4) . . . . ?
C22 C4 C14 Cl03 178.9(2) . . . . ?
C22 C4 C14 C36 2.0(4) . . . . ?
C24 N3 C29 C41 -0.1(7) . . . . ?
C24 C30 C33 C37 179.5(3) . . . . ?
C24 C30 C33 C5 -0.3(5) . . . . ?
C24 C13 C39 C5 -0.5(6) . . . . ?
C24 C13 C21 C41 1.0(7) . . . . ?
C26 C8 C18 Cl04 178.8(2) . . . . ?
C26 C8 C18 C7 -0.3(5) . . . . ?
C26 C46 C47 C7 0.9(6) . . . . ?
C28 C16 C35 Cl07 -179.8(2) . . . . ?
C28 C16 C35 C11 1.8(5) . . . . ?
C28 C19 C45 C11 2.1(6) . . . . ?
C30 N1 C40 C23 0.7(5) . . . . ?
C30 C24 C13 C39 -1.2(5) . . . . ?
C30 C24 C13 C21 177.7(4) . . . . ?
C30 C33 C37 C23 2.3(6) . . . . ?
C30 C33 C5 C39 -1.4(6) . . . . ?
C32 C34 C42 Cl06 176.4(3) . . . . ?
C32 C34 C42 C15 -0.7(5) . . . . ?
C34 C32 C31 Cl09 177.8(3) . . . . ?
C34 C32 C31 C27 -0.2(6) . . . . ?
C34 C42 C15 C27 -0.8(6) . . . . ?
C36 C44 C3 Cl0A -179.0(3) . . . . ?
C36 C44 C3 C22 2.9(5) . . . . ?
C38 C20 C25 C43 -1.3(5) . . . . ?
C40 N1 C30 C24 179.0(3) . . . . ?
C40 N1 C30 C33 0.3(5) . . . . ?
C40 C23 C37 C33 -1.5(7) . . . . ?
C25 C20 C38 Cl05 -179.4(3) . . . . ?
C25 C20 C38 C9 -1.4(5) . . . . ?
C13 C24 C30 N1 -177.3(3) . . . . ?
C13 C24 C30 C33 1.5(5) . . . . ?
C13 C39 C5 C33 1.8(7) . . . . ?
C29 N3 C24 C30 -178.1(3) . . . . ?
C29 N3 C24 C13 2.1(5) . . . . ?
C29 C41 C21 C13 0.8(8) . . . . ?
C15 C27 C31 Cl09 -179.4(4) . . . . ?
C15 C27 C31 C32 -1.4(7) . . . . ?
C31 C32 C34 C10 -176.8(3) . . . . ?
C31 C32 C34 C42 1.2(5) . . . . ?
C31 C27 C15 C42 1.9(7) . . . . ?
C35 C16 C28 C19 -0.5(5) . . . . ?
C35 C11 C45 C19 -0.9(7) . . . . ?
C9 C17 C43 Cl0C 179.0(3) . . . . ?
C9 C17 C43 C25 -2.6(7) . . . . ?
C37 C33 C5 C39 178.8(4) . . . . ?
C39 C13 C21 C41 179.8(5) . . . . ?
C5 C33 C37 C23 -177.9(4) . . . . ?
C21 C13 C39 C5 -179.3(5) . . . . ?
C43 C17 C9 C38 -0.2(7) . . . . ?
