#------------------------------------------------------------------------------
#$Date: 2019-11-23 07:17:57 +0200 (Sat, 23 Nov 2019) $
#$Revision: 232409 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/76/4347621.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_4347621
loop_
_publ_author_name
'Carter, Korey P.'
'Thomas, Kara E.'
'Pope, Simon J. A.'
'Holmberg, Rebecca J.'
'Butcher, Ray J.'
'Murugesu, Muralee'
'Cahill, Christopher L.'
_publ_section_title
;
 Supramolecular Assembly of Molecular Rare-Earth-3,5-Dichlorobenzoic
 Acid-2,2':6',2″-Terpyridine Materials: Structural Systematics,
 Luminescence Properties, and Magnetic Behavior.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6902
_journal_page_last               6915
_journal_paper_doi               10.1021/acs.inorgchem.6b00408
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'C114 H58 Cl24 Eu4 N6 O24'
_chemical_formula_weight         3354.30
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                74.9070(10)
_cell_angle_beta                 68.772(2)
_cell_angle_gamma                79.4990(10)
_cell_formula_units_Z            1
_cell_length_a                   12.7973(7)
_cell_length_b                   16.2106(9)
_cell_length_c                   16.6378(9)
_cell_measurement_reflns_used    46343
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      59.894
_cell_measurement_theta_min      4.513
_cell_volume                     3091.5(3)
_computing_cell_refinement       'SAINT, Bruker-AXS'
_computing_data_collection       'APEX, Bruker-AXS'
_computing_data_reduction        'SAINT, Bruker-AXS'
_computing_molecular_graphics    'WINGX (Farrugia, 2012)'
_computing_publication_material  'Crystal Maker (Palmer, 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0370
_diffrn_reflns_av_unetI/netI     0.0492
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.921
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            46341
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.921
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         30.361
_diffrn_reflns_theta_min         1.307
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.592
_exptl_absorpt_correction_T_max  0.7460
_exptl_absorpt_correction_T_min  0.6949
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Bruker-AXS (2008)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.802
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1636
_exptl_crystal_recrystallization_method Hydrothermal
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.821
_refine_diff_density_min         -0.679
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         17157
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0226P)²+0.7601P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0564
_refine_ls_wR_factor_ref         0.0612
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13661
_reflns_number_total             17157
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic6b00408_si_002.cif
_cod_data_source_block           Complex_7
_cod_database_code               4347621
_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'
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
Eu2 Eu 0.16411(2) 0.15603(2) 0.63866(2) 0.00835(3) Uani 1 1 d . .
Eu1 Eu 0.43277(2) 0.38970(2) 0.53025(2) 0.00835(3) Uani 1 1 d . .
Cl6 Cl 0.37792(7) -0.04817(5) 0.94196(5) 0.02562(17) Uani 1 1 d . .
Cl5 Cl 0.76652(6) 0.09749(5) 0.76848(5) 0.02122(16) Uani 1 1 d . .
Cl11 Cl 0.13753(7) -0.16393(5) 1.07541(5) 0.02659(18) Uani 1 1 d . .
Cl12 Cl -0.24475(6) -0.15807(5) 1.00913(5) 0.02276(16) Uani 1 1 d . .
Cl2 Cl 0.65610(8) 0.54201(6) 0.89393(6) 0.0359(2) Uani 1 1 d . .
Cl1 Cl 0.54333(8) 0.22502(5) 0.93814(5) 0.0319(2) Uani 1 1 d . .
Cl8 Cl -0.12697(8) 0.38150(7) 0.99662(6) 0.0444(2) Uani 1 1 d . .
Cl10 Cl 0.27381(9) 0.17557(7) 0.18046(6) 0.0443(2) Uani 1 1 d . .
Cl4 Cl 1.07808(7) 0.48632(7) 0.31629(8) 0.0506(3) Uani 1 1 d . .
Cl7 Cl 0.29966(8) 0.44492(10) 0.91919(8) 0.0700(4) Uani 1 1 d . .
Cl3 Cl 0.98087(8) 0.25113(8) 0.18390(7) 0.0527(3) Uani 1 1 d . .
Cl9 Cl 0.65584(8) 0.29280(8) 0.14809(6) 0.0533(3) Uani 1 1 d . .
O12 O 0.02406(16) 0.05433(13) 0.73580(12) 0.0172(4) Uani 1 1 d . .
O8 O 0.12521(15) 0.27743(12) 0.70002(13) 0.0163(4) Uani 1 1 d . .
O11 O 0.16297(16) 0.06474(13) 0.77953(12) 0.0185(4) Uani 1 1 d . .
O4 O 0.37119(16) 0.53494(12) 0.54908(13) 0.0158(4) Uani 1 1 d . .
O1 O 0.49943(17) 0.40346(13) 0.63977(13) 0.0197(5) Uani 1 1 d . .
O9 O 0.37532(18) 0.30511(13) 0.46703(13) 0.0224(5) Uani 1 1 d . .
O6 O 0.33790(15) 0.16789(12) 0.64966(12) 0.0143(4) Uani 1 1 d . .
O2 O 0.42487(17) 0.47285(13) 0.39215(13) 0.0196(5) Uani 1 1 d . .
O3 O 0.61277(17) 0.34022(13) 0.42958(14) 0.0226(5) Uani 1 1 d . .
O10 O 0.23373(16) 0.22979(12) 0.49200(12) 0.0152(4) Uani 1 1 d . .
O5 O 0.48041(16) 0.24949(12) 0.60296(13) 0.0176(4) Uani 1 1 d . .
O7 O 0.26216(16) 0.36494(12) 0.64016(12) 0.0157(4) Uani 1 1 d . .
N1 N 0.2829(2) 0.02478(15) 0.58697(16) 0.0168(5) Uani 1 1 d . .
N2 N 0.10729(19) 0.09580(15) 0.53113(15) 0.0140(5) Uani 1 1 d . .
N3 N -0.01563(19) 0.22707(15) 0.60715(15) 0.0148(5) Uani 1 1 d . .
C16 C 0.4739(2) 0.13274(16) 0.72311(18) 0.0122(5) Uani 1 1 d . .
C30 C 0.3675(2) 0.25761(17) 0.34775(18) 0.0140(6) Uani 1 1 d . .
C15 C 0.4261(2) 0.18826(17) 0.65362(18) 0.0127(5) Uani 1 1 d . .
C42 C -0.0742(2) -0.06310(18) 0.89812(18) 0.0152(6) Uani 1 1 d . .
H39 H -0.1178 -0.0433 0.8614 0.018 Uiso 1 1 calc R U
C29 C 0.3213(2) 0.26549(17) 0.44278(18) 0.0129(5) Uani 1 1 d . .
C1 C 0.5453(2) 0.45687(18) 0.65683(17) 0.0139(6) Uani 1 1 d . .
C37 C 0.0316(2) -0.03469(17) 0.87443(18) 0.0139(6) Uani 1 1 d . .
C22 C 0.1812(2) 0.33214(17) 0.70288(18) 0.0129(5) Uani 1 1 d . .
C14 C 0.8686(2) 0.44142(19) 0.3604(2) 0.0233(7) Uani 1 1 d . .
H50 H 0.8457 0.4810 0.3965 0.028 Uiso 1 1 calc R U
C21 C 0.4102(2) 0.07462(17) 0.79231(18) 0.0147(6) Uani 1 1 d . .
H29 H 0.3370 0.0689 0.7972 0.018 Uiso 1 1 calc R U
C4 C 0.5656(3) 0.32807(18) 0.87531(18) 0.0190(6) Uani 1 1 d . .
C48 C 0.1770(3) 0.03497(19) 0.49075(19) 0.0191(6) Uani 1 1 d . .
C35 C 0.4746(2) 0.28152(18) 0.29682(18) 0.0177(6) Uani 1 1 d . .
H22 H 0.5153 0.3059 0.3195 0.021 Uiso 1 1 calc R U
C3 C 0.5465(2) 0.35012(18) 0.79495(17) 0.0144(6) Uani 1 1 d . .
H57 H 0.5224 0.3105 0.7755 0.017 Uiso 1 1 calc R U
C39 C 0.0561(3) -0.12481(19) 1.00690(19) 0.0183(6) Uani 1 1 d . .
C24 C 0.2290(3) 0.3899(2) 0.8092(2) 0.0224(7) Uani 1 1 d . .
H32 H 0.3019 0.3941 0.7696 0.027 Uiso 1 1 calc R U
C2 C 0.5641(2) 0.43208(17) 0.74450(17) 0.0121(5) Uani 1 1 d . .
C23 C 0.1483(2) 0.36101(17) 0.78835(18) 0.0139(6) Uani 1 1 d . .
C52 C 0.0248(2) 0.13932(19) 0.50007(18) 0.0180(6) Uani 1 1 d . .
C53 C -0.0494(2) 0.20555(19) 0.54813(19) 0.0174(6) Uani 1 1 d . .
C17 C 0.5833(2) 0.14139(17) 0.71676(18) 0.0130(5) Uani 1 1 d . .
H25 H 0.6256 0.1816 0.6713 0.016 Uiso 1 1 calc R U
C20 C 0.4578(2) 0.02484(18) 0.85449(18) 0.0163(6) Uani 1 1 d . .
C47 C 0.2655(2) -0.01054(18) 0.52833(19) 0.0181(6) Uani 1 1 d . .
C57 C -0.0798(2) 0.28671(19) 0.6512(2) 0.0232(7) Uani 1 1 d . .
H1 H -0.0566 0.3013 0.6922 0.028 Uiso 1 1 calc R U
C8 C 0.6695(2) 0.40116(18) 0.41496(18) 0.0140(6) Uani 1 1 d . .
C41 C -0.1133(2) -0.12130(18) 0.97729(18) 0.0158(6) Uani 1 1 d . .
C19 C 0.5667(2) 0.03082(19) 0.84871(19) 0.0179(6) Uani 1 1 d . .
H27 H 0.5977 -0.0035 0.8904 0.021 Uiso 1 1 calc R U
C5 C 0.6001(3) 0.38529(19) 0.90612(19) 0.0212(7) Uani 1 1 d . .
H55 H 0.6124 0.3695 0.9601 0.025 Uiso 1 1 calc R U
C18 C 0.6279(2) 0.08943(19) 0.77898(19) 0.0158(6) Uani 1 1 d . .
C28 C 0.0382(2) 0.35759(18) 0.84639(19) 0.0188(6) Uani 1 1 d . .
H36 H -0.0160 0.3382 0.8326 0.023 Uiso 1 1 calc R U
C9 C 0.7905(2) 0.39392(18) 0.35664(19) 0.0169(6) Uani 1 1 d . .
C7 C 0.6005(2) 0.49129(18) 0.77341(18) 0.0154(6) Uani 1 1 d . .
H53 H 0.6140 0.5460 0.7388 0.019 Uiso 1 1 calc R U
C36 C 0.0748(2) 0.03128(17) 0.79165(18) 0.0128(5) Uani 1 1 d . .
C44 C 0.4283(3) -0.0883(2) 0.6020(2) 0.0317(8) Uani 1 1 d . .
H14 H 0.4831 -0.1130 0.6279 0.038 Uiso 1 1 calc R U
C31 C 0.3052(2) 0.22434(18) 0.31288(18) 0.0162(6) Uani 1 1 d . .
H18 H 0.2331 0.2091 0.3470 0.019 Uiso 1 1 calc R U
C32 C 0.3515(3) 0.2142(2) 0.2266(2) 0.0240(7) Uani 1 1 d . .
C38 C 0.0975(2) -0.06642(18) 0.92849(18) 0.0164(6) Uani 1 1 d . .
H43 H 0.1688 -0.0486 0.9121 0.020 Uiso 1 1 calc R U
C10 C 0.8253(3) 0.3353(2) 0.3021(2) 0.0227(7) Uani 1 1 d . .
H46 H 0.7737 0.3032 0.2997 0.027 Uiso 1 1 calc R U
C11 C 0.9380(3) 0.3253(2) 0.2512(2) 0.0304(8) Uani 1 1 d . .
C27 C 0.0111(3) 0.3836(2) 0.9250(2) 0.0235(7) Uani 1 1 d . .
C43 C 0.3631(3) -0.01374(19) 0.6218(2) 0.0237(7) Uani 1 1 d . .
H15 H 0.3756 0.0111 0.6616 0.028 Uiso 1 1 calc R U
C12 C 1.0166(3) 0.3715(2) 0.2545(2) 0.0322(8) Uani 1 1 d . .
H48 H 1.0921 0.3641 0.2204 0.039 Uiso 1 1 calc R U
C46 C 0.3286(3) -0.0863(2) 0.5063(2) 0.0293(8) Uani 1 1 d . .
H12 H 0.3152 -0.1107 0.4666 0.035 Uiso 1 1 calc R U
C40 C -0.0497(2) -0.15152(18) 1.03290(18) 0.0169(6) Uani 1 1 d . .
H41 H -0.0779 -0.1891 1.0867 0.020 Uiso 1 1 calc R U
C49 C 0.1659(3) 0.0163(2) 0.4172(2) 0.0273(8) Uani 1 1 d . .
H9 H 0.2148 -0.0259 0.3901 0.033 Uiso 1 1 calc R U
C55 C -0.2147(3) 0.3045(2) 0.5793(2) 0.0329(8) Uani 1 1 d . .
H3 H -0.2822 0.3297 0.5706 0.039 Uiso 1 1 calc R U
C54 C -0.1490(3) 0.2436(2) 0.5331(2) 0.0257(7) Uani 1 1 d . .
H4 H -0.1712 0.2281 0.4920 0.031 Uiso 1 1 calc R U
C34 C 0.5193(3) 0.2682(2) 0.2114(2) 0.0246(7) Uani 1 1 d . .
C13 C 0.9796(3) 0.4290(2) 0.3101(2) 0.0297(8) Uani 1 1 d . .
C51 C 0.0110(3) 0.1233(2) 0.4261(2) 0.0265(8) Uani 1 1 d . .
H7 H -0.0455 0.1545 0.4047 0.032 Uiso 1 1 calc R U
C33 C 0.4598(3) 0.2343(2) 0.1751(2) 0.0282(8) Uani 1 1 d . .
H20 H 0.4914 0.2252 0.1178 0.034 Uiso 1 1 calc R U
C56 C -0.1794(3) 0.3276(2) 0.6386(2) 0.0308(8) Uani 1 1 d . .
H2 H -0.2213 0.3697 0.6694 0.037 Uiso 1 1 calc R U
C50 C 0.0822(3) 0.0607(2) 0.3853(2) 0.0309(8) Uani 1 1 d . .
H8 H 0.0736 0.0487 0.3365 0.037 Uiso 1 1 calc R U
C25 C 0.1990(3) 0.4125(2) 0.8902(2) 0.0304(8) Uani 1 1 d . .
C6 C 0.6163(3) 0.46707(19) 0.85497(19) 0.0199(6) Uani 1 1 d . .
C45 C 0.4104(3) -0.1250(2) 0.5433(2) 0.0360(9) Uani 1 1 d . .
H13 H 0.4528 -0.1753 0.5287 0.043 Uiso 1 1 calc R U
C26 C 0.0896(3) 0.4097(2) 0.9489(2) 0.0305(8) Uani 1 1 d . .
H34 H 0.0702 0.4251 1.0030 0.037 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'
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'
Cl Cl 0.1484 0.1585 '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'
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
O10 Eu2 O8 95.59(7) . .
O10 Eu2 O6 86.76(6) . .
O8 Eu2 O6 77.66(7) . .
O10 Eu2 O11 159.55(7) . .
O8 Eu2 O11 90.04(7) . .
O6 Eu2 O11 75.24(6) . .
O10 Eu2 O12 141.19(6) . .
O8 Eu2 O12 107.66(7) . .
O6 Eu2 O12 127.77(6) . .
O11 Eu2 O12 53.30(6) . .
O10 Eu2 N1 86.53(7) . .
O8 Eu2 N1 155.03(7) . .
O6 Eu2 N1 77.63(7) . .
O11 Eu2 N1 80.28(7) . .
O12 Eu2 N1 84.95(7) . .
O10 Eu2 N3 77.78(7) . .
O8 Eu2 N3 78.11(7) . .
O6 Eu2 N3 149.70(7) . .
O11 Eu2 N3 122.66(7) . .
O12 Eu2 N3 77.22(7) . .
N1 Eu2 N3 126.41(8) . .
O10 Eu2 N2 67.21(7) . .
O8 Eu2 N2 140.07(7) . .
O6 Eu2 N2 133.20(7) . .
O11 Eu2 N2 118.94(7) . .
O12 Eu2 N2 75.18(7) . .
N1 Eu2 N2 63.21(8) . .
N3 Eu2 N2 63.44(7) . .
O10 Eu2 C36 163.51(7) . .
O8 Eu2 C36 100.07(7) . .
O6 Eu2 C36 101.54(7) . .
O11 Eu2 C36 26.70(7) . .
O12 Eu2 C36 26.61(7) . .
N1 Eu2 C36 81.46(8) . .
N3 Eu2 C36 100.36(7) . .
N2 Eu2 C36 97.14(7) . .
O9 Eu1 O7 83.08(7) . .
O9 Eu1 O1 149.54(7) . .
O7 Eu1 O1 87.15(7) . .
O9 Eu1 O5 77.32(7) . .
O7 Eu1 O5 80.59(7) . .
O1 Eu1 O5 72.64(7) . .
O9 Eu1 O2 72.91(7) . .
O7 Eu1 O2 116.29(7) . .
O1 Eu1 O2 136.58(7) . .
O5 Eu1 O2 143.07(7) . .
O9 Eu1 O4 131.48(7) . .
O7 Eu1 O4 81.84(7) . .
O1 Eu1 O4 74.91(7) . .
O5 Eu1 O4 143.62(7) . .
O2 Eu1 O4 73.26(7) . .
O9 Eu1 O3 78.78(7) . .
O7 Eu1 O3 151.89(7) . .
O1 Eu1 O3 97.73(7) . .
O5 Eu1 O3 74.62(7) . .
O2 Eu1 O3 78.54(7) . .
O4 Eu1 O3 126.20(7) . .
O9 Eu1 O4 123.08(6) . 2_666
O7 Eu1 O4 153.70(6) . 2_666
O1 Eu1 O4 71.27(6) . 2_666
O5 Eu1 O4 105.99(6) . 2_666
O2 Eu1 O4 73.92(6) . 2_666
O4 Eu1 O4 78.21(7) . 2_666
O3 Eu1 O4 50.05(6) . 2_666
O9 Eu1 C8 100.76(8) . .
O7 Eu1 C8 169.12(7) . .
O1 Eu1 C8 84.48(7) . .
O5 Eu1 C8 90.27(7) . .
O2 Eu1 C8 74.59(7) . .
O4 Eu1 C8 102.59(7) . .
O3 Eu1 C8 24.67(7) . .
O4 Eu1 C8 25.38(6) 2_666 .
O9 Eu1 Eu1 140.62(5) . 2_666
O7 Eu1 Eu1 121.78(5) . 2_666
O1 Eu1 Eu1 67.88(5) . 2_666
O5 Eu1 Eu1 132.41(5) . 2_666
O2 Eu1 Eu1 68.70(5) . 2_666
O4 Eu1 Eu1 41.97(5) . 2_666
O3 Eu1 Eu1 85.30(5) . 2_666
O4 Eu1 Eu1 36.24(4) 2_666 2_666
C8 Eu1 Eu1 60.96(5) . 2_666
C36 O12 Eu2 91.87(15) . .
C22 O8 Eu2 136.34(17) . .
C36 O11 Eu2 94.29(16) . .
C8 O4 Eu1 161.31(18) 2_666 .
C8 O4 Eu1 87.46(16) 2_666 2_666
Eu1 O4 Eu1 101.79(7) . 2_666
C1 O1 Eu1 139.76(18) . .
C29 O9 Eu1 166.4(2) . .
C15 O6 Eu2 169.90(18) . .
C1 O2 Eu1 137.70(18) 2_666 .
C8 O3 Eu1 100.79(17) . .
C29 O10 Eu2 136.86(17) . .
C15 O5 Eu1 135.08(17) . .
C22 O7 Eu1 165.25(18) . .
C43 N1 C47 118.3(3) . .
C43 N1 Eu2 118.9(2) . .
C47 N1 Eu2 122.71(19) . .
C48 N2 C52 119.3(2) . .
C48 N2 Eu2 119.33(18) . .
C52 N2 Eu2 119.35(18) . .
C57 N3 C53 118.6(2) . .
C57 N3 Eu2 119.41(19) . .
C53 N3 Eu2 121.97(19) . .
C21 C16 C17 120.3(2) . .
C21 C16 C15 120.7(2) . .
C17 C16 C15 119.0(2) . .
C31 C30 C35 120.8(3) . .
C31 C30 C29 120.2(2) . .
C35 C30 C29 119.0(2) . .
O5 C15 O6 125.6(2) . .
O5 C15 C16 116.5(2) . .
O6 C15 C16 117.9(2) . .
C41 C42 C37 118.9(3) . .
C41 C42 H39 120.6 . .
C37 C42 H39 120.6 . .
O9 C29 O10 125.1(3) . .
O9 C29 C30 116.8(2) . .
O10 C29 C30 118.1(2) . .
O2 C1 O1 125.9(2) 2_666 .
O2 C1 C2 118.1(2) 2_666 .
O1 C1 C2 116.0(2) . .
C38 C37 C42 120.2(3) . .
C38 C37 C36 119.2(2) . .
C42 C37 C36 120.6(2) . .
O7 C22 O8 125.4(3) . .
O7 C22 C23 117.2(2) . .
O8 C22 C23 117.4(2) . .
C13 C14 C9 119.2(3) . .
C13 C14 H50 120.4 . .
C9 C14 H50 120.4 . .
C16 C21 C20 118.7(3) . .
C16 C21 H29 120.7 . .
C20 C21 H29 120.7 . .
C5 C4 C3 122.0(3) . .
C5 C4 Cl1 119.7(2) . .
C3 C4 Cl1 118.3(2) . .
N2 C48 C49 121.4(3) . .
N2 C48 C47 116.6(2) . .
C49 C48 C47 122.1(3) . .
C34 C35 C30 118.4(3) . .
C34 C35 H22 120.8 . .
C30 C35 H22 120.8 . .
C2 C3 C4 118.7(3) . .
C2 C3 H57 120.7 . .
C4 C3 H57 120.7 . .
C40 C39 C38 121.3(3) . .
C40 C39 Cl11 119.0(2) . .
C38 C39 Cl11 119.7(2) . .
C23 C24 C25 118.9(3) . .
C23 C24 H32 120.5 . .
C25 C24 H32 120.5 . .
C3 C2 C7 120.7(2) . .
C3 C2 C1 119.5(2) . .
C7 C2 C1 119.8(2) . .
C24 C23 C28 120.5(3) . .
C24 C23 C22 119.4(2) . .
C28 C23 C22 120.1(3) . .
N2 C52 C51 121.3(3) . .
N2 C52 C53 116.4(2) . .
C51 C52 C53 122.2(3) . .
N3 C53 C54 121.3(3) . .
N3 C53 C52 116.9(2) . .
C54 C53 C52 121.8(3) . .
C18 C17 C16 119.0(3) . .
C18 C17 H25 120.5 . .
C16 C17 H25 120.5 . .
C19 C20 C21 122.2(3) . .
C19 C20 Cl6 118.9(2) . .
C21 C20 Cl6 118.9(2) . .
N1 C47 C46 120.5(3) . .
N1 C47 C48 116.3(2) . .
C46 C47 C48 123.2(3) . .
N3 C57 C56 122.9(3) . .
N3 C57 H1 118.5 . .
C56 C57 H1 118.5 . .
O3 C8 O4 121.7(3) . 2_666
O3 C8 C9 117.7(2) . .
O4 C8 C9 120.6(3) 2_666 .
O3 C8 Eu1 54.55(14) . .
O4 C8 Eu1 67.16(14) 2_666 .
C9 C8 Eu1 172.0(2) . .
C40 C41 C42 121.5(3) . .
C40 C41 Cl12 118.3(2) . .
C42 C41 Cl12 120.2(2) . .
C18 C19 C20 117.6(3) . .
C18 C19 H27 121.2 . .
C20 C19 H27 121.2 . .
C4 C5 C6 118.3(3) . .
C4 C5 H55 120.8 . .
C6 C5 H55 120.8 . .
C19 C18 C17 122.1(3) . .
C19 C18 Cl5 118.9(2) . .
C17 C18 Cl5 118.9(2) . .
C27 C28 C23 118.6(3) . .
C27 C28 H36 120.7 . .
C23 C28 H36 120.7 . .
C10 C9 C14 120.1(3) . .
C10 C9 C8 118.8(3) . .
C14 C9 C8 121.0(3) . .
C6 C7 C2 118.6(3) . .
C6 C7 H53 120.7 . .
C2 C7 H53 120.7 . .
O12 C36 O11 120.5(2) . .
O12 C36 C37 121.1(2) . .
O11 C36 C37 118.3(2) . .
O12 C36 Eu2 61.52(14) . .
O11 C36 Eu2 59.01(13) . .
C37 C36 Eu2 177.36(19) . .
C45 C44 C43 118.4(3) . .
C45 C44 H14 120.8 . .
C43 C44 H14 120.8 . .
C32 C31 C30 119.1(3) . .
C32 C31 H18 120.5 . .
C30 C31 H18 120.5 . .
C31 C32 C33 121.6(3) . .
C31 C32 Cl10 120.0(3) . .
C33 C32 Cl10 118.4(2) . .
C39 C38 C37 119.4(3) . .
C39 C38 H43 120.3 . .
C37 C38 H43 120.3 . .
C9 C10 C11 119.2(3) . .
C9 C10 H46 120.4 . .
C11 C10 H46 120.4 . .
C12 C11 C10 121.5(3) . .
C12 C11 Cl3 119.6(3) . .
C10 C11 Cl3 118.9(3) . .
C26 C27 C28 122.4(3) . .
C26 C27 Cl8 118.9(2) . .
C28 C27 Cl8 118.7(2) . .
N1 C43 C44 123.6(3) . .
N1 C43 H15 118.2 . .
C44 C43 H15 118.2 . .
C11 C12 C13 118.0(3) . .
C11 C12 H48 121.0 . .
C13 C12 H48 121.0 . .
C45 C46 C47 120.2(3) . .
C45 C46 H12 119.9 . .
C47 C46 H12 119.9 . .
C39 C40 C41 118.7(3) . .
C39 C40 H41 120.6 . .
C41 C40 H41 120.6 . .
C50 C49 C48 119.4(3) . .
C50 C49 H9 120.3 . .
C48 C49 H9 120.3 . .
C56 C55 C54 119.3(3) . .
C56 C55 H3 120.4 . .
C54 C55 H3 120.4 . .
C55 C54 C53 119.5(3) . .
C55 C54 H4 120.2 . .
C53 C54 H4 120.2 . .
C33 C34 C35 122.1(3) . .
C33 C34 Cl9 118.5(2) . .
C35 C34 Cl9 119.3(2) . .
C14 C13 C12 122.1(3) . .
C14 C13 Cl4 119.4(3) . .
C12 C13 Cl4 118.5(3) . .
C50 C51 C52 119.1(3) . .
C50 C51 H7 120.4 . .
C52 C51 H7 120.4 . .
C34 C33 C32 117.9(3) . .
C34 C33 H20 121.0 . .
C32 C33 H20 121.0 . .
C55 C56 C57 118.4(3) . .
C55 C56 H2 120.8 . .
C57 C56 H2 120.8 . .
C49 C50 C51 119.4(3) . .
C49 C50 H8 120.3 . .
C51 C50 H8 120.3 . .
C26 C25 C24 121.4(3) . .
C26 C25 Cl7 118.9(2) . .
C24 C25 Cl7 119.6(3) . .
C5 C6 C7 121.6(3) . .
C5 C6 Cl2 119.3(2) . .
C7 C6 Cl2 119.1(2) . .
C44 C45 C46 119.0(3) . .
C44 C45 H13 120.5 . .
C46 C45 H13 120.5 . .
C27 C26 C25 118.1(3) . .
C27 C26 H34 120.9 . .
C25 C26 H34 120.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu2 O10 2.3392(18) .
Eu2 O8 2.3418(19) .
Eu2 O6 2.3421(18) .
Eu2 O11 2.4208(19) .
Eu2 O12 2.4767(19) .
Eu2 N1 2.531(2) .
Eu2 N3 2.547(2) .
Eu2 N2 2.607(2) .
Eu2 C36 2.816(3) .
Eu1 O9 2.2816(19) .
Eu1 O7 2.3062(18) .
Eu1 O1 2.3463(19) .
Eu1 O5 2.3661(18) .
Eu1 O2 2.3689(19) .
Eu1 O4 2.4065(19) .
Eu1 O3 2.447(2) .
Eu1 O4 2.7218(19) 2_666
Eu1 C8 2.951(3) .
Eu1 Eu1 3.9844(3) 2_666
Cl6 C20 1.740(3) .
Cl5 C18 1.744(3) .
Cl11 C39 1.741(3) .
Cl12 C41 1.738(3) .
Cl2 C6 1.741(3) .
Cl1 C4 1.736(3) .
Cl8 C27 1.738(3) .
Cl10 C32 1.732(3) .
Cl4 C13 1.742(3) .
Cl7 C25 1.731(3) .
Cl3 C11 1.736(3) .
Cl9 C34 1.739(3) .
O12 C36 1.262(3) .
O8 C22 1.258(3) .
O11 C36 1.269(3) .
O4 C8 1.266(3) 2_666
O4 Eu1 2.7218(19) 2_666
O1 C1 1.268(3) .
O9 C29 1.246(3) .
O6 C15 1.260(3) .
O2 C1 1.248(3) 2_666
O3 C8 1.253(3) .
O10 C29 1.260(3) .
O5 C15 1.253(3) .
O7 C22 1.254(3) .
N1 C43 1.337(4) .
N1 C47 1.351(4) .
N2 C48 1.345(4) .
N2 C52 1.346(4) .
N3 C57 1.338(4) .
N3 C53 1.347(4) .
C16 C21 1.383(4) .
C16 C17 1.396(4) .
C16 C15 1.513(4) .
C30 C31 1.385(4) .
C30 C35 1.389(4) .
C30 C29 1.505(4) .
C42 C41 1.387(4) .
C42 C37 1.396(4) .
C42 H39 0.9300 .
C1 O2 1.248(3) 2_666
C1 C2 1.504(4) .
C37 C38 1.391(4) .
C37 C36 1.498(4) .
C22 C23 1.503(4) .
C14 C13 1.372(4) .
C14 C9 1.395(4) .
C14 H50 0.9300 .
C21 C20 1.391(4) .
C21 H29 0.9300 .
C4 C5 1.371(4) .
C4 C3 1.389(4) .
C48 C49 1.393(4) .
C48 C47 1.479(4) .
C35 C34 1.385(4) .
C35 H22 0.9300 .
C3 C2 1.383(4) .
C3 H57 0.9300 .
C39 C40 1.378(4) .
C39 C38 1.385(4) .
C24 C23 1.388(4) .
C24 C25 1.389(4) .
C24 H32 0.9300 .
C2 C7 1.391(4) .
C23 C28 1.392(4) .
C52 C51 1.398(4) .
C52 C53 1.490(4) .
C53 C54 1.390(4) .
C17 C18 1.380(4) .
C17 H25 0.9300 .
C20 C19 1.383(4) .
C47 C46 1.397(4) .
C57 C56 1.386(4) .
C57 H1 0.9300 .
C8 O4 1.266(3) 2_666
C8 C9 1.503(4) .
C41 C40 1.386(4) .
C19 C18 1.379(4) .
C19 H27 0.9300 .
C5 C6 1.382(4) .
C5 H55 0.9300 .
C28 C27 1.384(4) .
C28 H36 0.9300 .
C9 C10 1.388(4) .
C7 C6 1.389(4) .
C7 H53 0.9300 .
C44 C45 1.370(5) .
C44 C43 1.381(4) .
C44 H14 0.9300 .
C31 C32 1.382(4) .
C31 H18 0.9300 .
C32 C33 1.386(5) .
C38 H43 0.9300 .
C10 C11 1.388(4) .
C10 H46 0.9300 .
C11 C12 1.383(5) .
C27 C26 1.370(5) .
C43 H15 0.9300 .
C12 C13 1.385(5) .
C12 H48 0.9300 .
C46 C45 1.376(5) .
C46 H12 0.9300 .
C40 H41 0.9300 .
C49 C50 1.371(5) .
C49 H9 0.9300 .
C55 C56 1.376(5) .
C55 C54 1.378(5) .
C55 H3 0.9300 .
C54 H4 0.9300 .
C34 C33 1.381(4) .
C51 C50 1.376(5) .
C51 H7 0.9300 .
C33 H20 0.9300 .
C56 H2 0.9300 .
C50 H8 0.9300 .
C25 C26 1.387(4) .
C45 H13 0.9300 .
C26 H34 0.9300 .
