#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/14/7021457.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_7021457
loop_
_publ_author_name
'Zou, Xiaoyan'
'Li, Mingjie'
'Yan, Pengfei'
'Zhang, Juwen'
'Hou, Guangfeng'
'Li, Guangming'
_publ_section_title
;
 Systematic study on the structures of salen type lanthanide complexes
 tuned by lanthanide contraction and corresponding luminescence.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9482
_journal_page_last               9489
_journal_paper_doi               10.1039/c3dt50534k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C72 H84 Cl4 Eu2 N14 O28'
_chemical_formula_sum            'C72 H84 Cl4 Eu2 N14 O28'
_chemical_formula_weight         2039.25
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.99(3)
_cell_angle_beta                 106.84(3)
_cell_angle_gamma                92.56(3)
_cell_formula_units_Z            1
_cell_length_a                   10.959(2)
_cell_length_b                   10.986(2)
_cell_length_c                   18.638(4)
_cell_measurement_reflns_used    16963
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      3.02
_cell_volume                     2142.9(8)
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_collection       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0702
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20575
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.02
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.660
_exptl_absorpt_correction_T_max  0.7482
_exptl_absorpt_correction_T_min  0.6188
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.172
_refine_diff_density_min         -0.995
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     542
_refine_ls_number_reflns         9521
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0525P)²+0.9797P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1039
_refine_ls_wR_factor_ref         0.1125
_reflns_number_gt                7614
_reflns_number_total             9521
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50534k.txt
_cod_data_source_block           zxy-5
_cod_original_cell_volume        2142.9(7)
_cod_database_code               7021457
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.2040(4) 0.6973(4) 0.2182(3) 0.0428(10) Uani 1 1 d .
C2 C 0.1921(5) 0.8016(5) 0.1754(3) 0.0562(13) Uani 1 1 d .
H2 H 0.2619 0.8316 0.1613 0.067 Uiso 1 1 calc R
C3 C 0.0810(6) 0.8597(5) 0.1542(4) 0.0636(15) Uani 1 1 d .
H3 H 0.0764 0.9277 0.1254 0.076 Uiso 1 1 calc R
C4 C -0.0263(5) 0.8192(5) 0.1748(4) 0.0649(15) Uani 1 1 d .
H4 H -0.1012 0.8603 0.1601 0.078 Uiso 1 1 calc R
C5 C -0.0203(5) 0.7198(5) 0.2163(3) 0.0558(13) Uani 1 1 d .
H5 H -0.0920 0.6921 0.2295 0.067 Uiso 1 1 calc R
C6 C 0.0934(4) 0.6575(4) 0.2399(3) 0.0433(10) Uani 1 1 d .
C7 C 0.0963(5) 0.5581(4) 0.2865(3) 0.0463(11) Uani 1 1 d .
H7 H 0.0211 0.5367 0.2979 0.056 Uiso 1 1 calc R
C8 C 0.1960(5) 0.4009(4) 0.3693(3) 0.0487(12) Uani 1 1 d .
H8A H 0.2203 0.3248 0.3508 0.058 Uiso 1 1 calc R
H8B H 0.1115 0.3873 0.3752 0.058 Uiso 1 1 calc R
C9 C 0.2900(5) 0.4396(4) 0.4444(3) 0.0483(11) Uani 1 1 d .
H9A H 0.3735 0.4569 0.4378 0.058 Uiso 1 1 calc R
H9B H 0.2969 0.3729 0.4779 0.058 Uiso 1 1 calc R
C10 C 0.2504(5) 0.5514(5) 0.4801(3) 0.0498(11) Uani 1 1 d .
H10A H 0.2355 0.6159 0.4448 0.060 Uiso 1 1 calc R
H10B H 0.1712 0.5319 0.4916 0.060 Uiso 1 1 calc R
C11 C 0.3924(5) 0.7052(4) 0.5654(3) 0.0456(11) Uani 1 1 d .
H11 H 0.3600 0.7633 0.5308 0.055 Uiso 1 1 calc R
C12 C 0.4871(5) 0.7452(4) 0.6333(3) 0.0440(11) Uani 1 1 d .
C13 C 0.5247(6) 0.8711(5) 0.6429(4) 0.0639(15) Uani 1 1 d .
H13 H 0.4883 0.9238 0.6056 0.077 Uiso 1 1 calc R
C14 C 0.6129(7) 0.9144(5) 0.7059(5) 0.083(2) Uani 1 1 d .
H14 H 0.6370 0.9972 0.7121 0.100 Uiso 1 1 calc R
C15 C 0.6683(6) 0.8370(5) 0.7614(4) 0.0681(16) Uani 1 1 d .
H15 H 0.7305 0.8683 0.8042 0.082 Uiso 1 1 calc R
C16 C 0.6326(5) 0.7134(4) 0.7545(3) 0.0494(12) Uani 1 1 d .
H16 H 0.6699 0.6628 0.7928 0.059 Uiso 1 1 calc R
C17 C 0.5412(4) 0.6651(4) 0.6902(3) 0.0402(10) Uani 1 1 d .
C18 C 0.4259(5) 0.4942(5) 0.0921(3) 0.0540(13) Uani 1 1 d .
C19 C 0.3403(6) 0.5747(7) 0.0492(4) 0.0694(16) Uani 1 1 d .
H19 H 0.3305 0.6495 0.0712 0.083 Uiso 1 1 calc R
C20 C 0.2719(7) 0.5465(9) -0.0229(4) 0.095(3) Uani 1 1 d .
H20 H 0.2176 0.6027 -0.0494 0.114 Uiso 1 1 calc R
C21 C 0.2814(7) 0.4350(10) -0.0579(4) 0.098(3) Uani 1 1 d .
H21 H 0.2353 0.4174 -0.1079 0.118 Uiso 1 1 calc R
C22 C 0.3584(7) 0.3526(8) -0.0185(4) 0.088(2) Uani 1 1 d .
H22 H 0.3620 0.2765 -0.0410 0.106 Uiso 1 1 calc R
C23 C 0.4332(6) 0.3798(6) 0.0560(3) 0.0618(15) Uani 1 1 d .
C24 C 0.5148(6) 0.2918(6) 0.0952(4) 0.0726(19) Uani 1 1 d .
H24 H 0.5110 0.2159 0.0707 0.087 Uiso 1 1 calc R
C25 C 0.6750(7) 0.2156(6) 0.2046(5) 0.078(2) Uani 1 1 d .
H25A H 0.6452 0.1353 0.1811 0.094 Uiso 1 1 calc R
H25B H 0.6663 0.2166 0.2549 0.094 Uiso 1 1 calc R
C26 C 0.8125(7) 0.2370(6) 0.2095(4) 0.0767(18) Uani 1 1 d .
H26A H 0.8425 0.3177 0.2323 0.092 Uiso 1 1 calc R
H26B H 0.8221 0.2340 0.1594 0.092 Uiso 1 1 calc R
C27 C 0.8936(8) 0.1419(7) 0.2557(5) 0.090(2) Uani 1 1 d .
H27A H 0.8581 0.0609 0.2361 0.108 Uiso 1 1 calc R
H27B H 0.9796 0.1503 0.2513 0.108 Uiso 1 1 calc R
C28 C 0.8532(6) 0.0703(6) 0.3660(4) 0.0754(18) Uani 1 1 d .
H28 H 0.8163 0.0000 0.3373 0.090 Uiso 1 1 calc R
C29 C 0.8568(6) 0.0783(6) 0.4433(4) 0.0661(15) Uani 1 1 d .
C30 C 0.7989(7) -0.0146(8) 0.4747(6) 0.098(3) Uani 1 1 d .
H30 H 0.7570 -0.0819 0.4444 0.118 Uiso 1 1 calc R
C31 C 0.8035(9) -0.0075(10) 0.5500(6) 0.108(3) Uani 1 1 d .
H31 H 0.7621 -0.0679 0.5696 0.129 Uiso 1 1 calc R
C32 C 0.8691(9) 0.0887(9) 0.5949(6) 0.102(3) Uani 1 1 d .
H32 H 0.8738 0.0929 0.6456 0.123 Uiso 1 1 calc R
C33 C 0.9270(9) 0.1776(8) 0.5667(5) 0.093(2) Uani 1 1 d .
H33 H 0.9721 0.2416 0.5988 0.111 Uiso 1 1 calc R
C34 C 0.9217(7) 0.1773(6) 0.4917(4) 0.0761(18) Uani 1 1 d .
C35 C 0.0509(10) 0.3165(8) 0.0327(6) 0.113(3) Uani 1 1 d .
H35A H -0.0216 0.3348 -0.0089 0.136 Uiso 1 1 calc R
H35B H 0.1262 0.3221 0.0155 0.136 Uiso 1 1 calc R
Cl1 Cl 0.0684(2) 0.4247(2) 0.10401(15) 0.1134(7) Uani 1 1 d .
Cl2 Cl 0.0292(5) 0.1728(3) 0.0562(2) 0.1869(17) Uani 1 1 d .
N1 N 0.1930(4) 0.4945(4) 0.3148(2) 0.0443(9) Uani 1 1 d D
H111 H 0.263(4) 0.509(5) 0.300(3) 0.066 Uiso 1 1 d D
N2 N 0.3488(4) 0.5942(4) 0.5488(2) 0.0449(9) Uani 1 1 d D
H121 H 0.383(5) 0.539(4) 0.583(3) 0.067 Uiso 1 1 d D
N3 N 0.5936(5) 0.3073(4) 0.1616(3) 0.0632(13) Uani 1 1 d D
H131 H 0.601(7) 0.385(2) 0.179(4) 0.095 Uiso 1 1 d D
N4 N 0.8985(6) 0.1556(5) 0.3348(4) 0.0788(15) Uani 1 1 d .
N5 N 0.4961(5) 0.7868(4) 0.3956(3) 0.0551(11) Uani 1 1 d .
N6 N 0.6098(5) 0.8329(4) 0.1867(3) 0.0533(11) Uani 1 1 d .
N7 N 0.7859(4) 0.5547(4) 0.3432(3) 0.0486(10) Uani 1 1 d .
O1 O 0.3078(3) 0.6402(3) 0.2381(2) 0.0491(8) Uani 1 1 d .
O2 O 0.5082(3) 0.5481(3) 0.6809(2) 0.0497(8) Uani 1 1 d .
O3 O 0.4949(3) 0.5215(3) 0.1603(2) 0.0532(8) Uani 1 1 d .
O4 O 0.9747(7) 0.2689(4) 0.4664(3) 0.110(2) Uani 1 1 d .
H4A H 0.9520 0.2639 0.4204 0.165 Uiso 1 1 calc R
O5 O 0.4770(4) 0.6728(3) 0.3949(2) 0.0526(9) Uani 1 1 d .
O6 O 0.4838(6) 0.8543(4) 0.4457(3) 0.104(2) Uani 1 1 d .
O7 O 0.5285(4) 0.8285(3) 0.3407(2) 0.0610(11) Uani 1 1 d .
O8 O 0.4922(4) 0.8050(4) 0.1755(2) 0.0624(10) Uani 1 1 d .
O9 O 0.6444(5) 0.9117(4) 0.1506(3) 0.0861(15) Uani 1 1 d .
O10 O 0.6875(3) 0.7770(4) 0.2356(3) 0.0651(11) Uani 1 1 d .
O11 O 0.7261(3) 0.6249(3) 0.3757(2) 0.0505(8) Uani 1 1 d .
O12 O 0.8889(4) 0.5176(4) 0.3762(3) 0.0730(12) Uani 1 1 d .
O13 O 0.7321(4) 0.5262(3) 0.2746(2) 0.0599(9) Uani 1 1 d .
O14 O 0.3839(19) 0.0088(18) 0.0687(11) 0.387(10) Uiso 1 1 d D
H14A H 0.3323 0.0507 0.0807 0.581 Uiso 1 1 d R
C36 C 0.3034(15) -0.0535(14) 0.0014(9) 0.199(6) Uiso 1 1 d D
H36A H 0.2168 -0.0319 -0.0063 0.298 Uiso 1 1 calc R
H36B H 0.3082 -0.1400 0.0061 0.298 Uiso 1 1 calc R
H36C H 0.3315 -0.0301 -0.0407 0.298 Uiso 1 1 calc R
Eu1 Eu 0.52542(2) 0.635750(19) 0.269309(13) 0.03523(8) Uani 1 1 d .
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'
Eu Eu -0.1578 3.6682 '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'
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
O1 C1 C2 122.8(4) . .
O1 C1 C6 120.9(4) . .
C2 C1 C6 116.3(5) . .
C3 C2 C1 121.8(5) . .
C3 C2 H2 119.1 . .
C1 C2 H2 119.1 . .
C2 C3 C4 121.4(5) . .
C2 C3 H3 119.3 . .
C4 C3 H3 119.3 . .
C5 C4 C3 119.6(5) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
C4 C5 C6 120.8(5) . .
C4 C5 H5 119.6 . .
C6 C5 H5 119.6 . .
C5 C6 C7 118.3(4) . .
C5 C6 C1 120.2(5) . .
C7 C6 C1 121.5(4) . .
N1 C7 C6 126.2(4) . .
N1 C7 H7 116.9 . .
C6 C7 H7 116.9 . .
N1 C8 C9 110.8(4) . .
N1 C8 H8A 109.5 . .
C9 C8 H8A 109.5 . .
N1 C8 H8B 109.5 . .
C9 C8 H8B 109.5 . .
H8A C8 H8B 108.1 . .
C8 C9 C10 112.2(4) . .
C8 C9 H9A 109.2 . .
C10 C9 H9A 109.2 . .
C8 C9 H9B 109.2 . .
C10 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
N2 C10 C9 111.1(4) . .
N2 C10 H10A 109.4 . .
C9 C10 H10A 109.4 . .
N2 C10 H10B 109.4 . .
C9 C10 H10B 109.4 . .
H10A C10 H10B 108.0 . .
N2 C11 C12 124.3(5) . .
N2 C11 H11 117.9 . .
C12 C11 H11 117.9 . .
C17 C12 C13 120.1(5) . .
C17 C12 C11 122.7(4) . .
C13 C12 C11 117.2(5) . .
C14 C13 C12 119.9(6) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 120.6(5) . .
C13 C14 H14 119.7 . .
C15 C14 H14 119.7 . .
C14 C15 C16 121.1(6) . .
C14 C15 H15 119.4 . .
C16 C15 H15 119.4 . .
C15 C16 C17 120.0(5) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
O2 C17 C16 121.6(4) . .
O2 C17 C12 120.3(4) . .
C16 C17 C12 118.1(4) . .
O3 C18 C19 122.7(6) . .
O3 C18 C23 121.1(5) . .
C19 C18 C23 116.2(6) . .
C20 C19 C18 122.0(8) . .
C20 C19 H19 119.0 . .
C18 C19 H19 119.0 . .
C19 C20 C21 121.2(8) . .
C19 C20 H20 119.4 . .
C21 C20 H20 119.4 . .
C22 C21 C20 119.1(7) . .
C22 C21 H21 120.4 . .
C20 C21 H21 120.4 . .
C21 C22 C23 121.2(8) . .
C21 C22 H22 119.4 . .
C23 C22 H22 119.4 . .
C22 C23 C24 119.7(7) . .
C22 C23 C18 120.1(7) . .
C24 C23 C18 120.2(5) . .
N3 C24 C23 126.1(6) . .
N3 C24 H24 117.0 . .
C23 C24 H24 117.0 . .
N3 C25 C26 113.1(5) . .
N3 C25 H25A 109.0 . .
C26 C25 H25A 109.0 . .
N3 C25 H25B 109.0 . .
C26 C25 H25B 109.0 . .
H25A C25 H25B 107.8 . .
C25 C26 C27 111.4(6) . .
C25 C26 H26A 109.3 . .
C27 C26 H26A 109.3 . .
C25 C26 H26B 109.3 . .
C27 C26 H26B 109.3 . .
H26A C26 H26B 108.0 . .
N4 C27 C26 111.4(6) . .
N4 C27 H27A 109.4 . .
C26 C27 H27A 109.4 . .
N4 C27 H27B 109.4 . .
C26 C27 H27B 109.4 . .
H27A C27 H27B 108.0 . .
N4 C28 C29 122.7(6) . .
N4 C28 H28 118.6 . .
C29 C28 H28 118.6 . .
C30 C29 C34 117.4(7) . .
C30 C29 C28 121.1(7) . .
C34 C29 C28 121.5(6) . .
C31 C30 C29 121.1(8) . .
C31 C30 H30 119.4 . .
C29 C30 H30 119.4 . .
C32 C31 C30 119.4(9) . .
C32 C31 H31 120.3 . .
C30 C31 H31 120.3 . .
C33 C32 C31 120.7(9) . .
C33 C32 H32 119.7 . .
C31 C32 H32 119.7 . .
C32 C33 C34 122.3(8) . .
C32 C33 H33 118.9 . .
C34 C33 H33 118.9 . .
O4 C34 C33 119.9(7) . .
O4 C34 C29 121.0(7) . .
C33 C34 C29 119.1(7) . .
Cl2 C35 Cl1 114.5(5) . .
Cl2 C35 H35A 108.6 . .
Cl1 C35 H35A 108.6 . .
Cl2 C35 H35B 108.6 . .
Cl1 C35 H35B 108.6 . .
H35A C35 H35B 107.6 . .
C7 N1 C8 124.4(4) . .
C7 N1 H111 117(4) . .
C8 N1 H111 118(4) . .
C11 N2 C10 125.2(4) . .
C11 N2 H121 116(4) . .
C10 N2 H121 118(4) . .
C24 N3 C25 126.9(6) . .
C24 N3 H131 112(5) . .
C25 N3 H131 121(5) . .
C28 N4 C27 120.4(6) . .
O6 N5 O5 122.2(4) . .
O6 N5 O7 121.1(4) . .
O5 N5 O7 116.6(4) . .
O6 N5 Eu1 176.7(4) . .
O5 N5 Eu1 60.9(2) . .
O7 N5 Eu1 55.7(2) . .
O9 N6 O10 122.3(5) . .
O9 N6 O8 120.4(5) . .
O10 N6 O8 117.2(4) . .
O9 N6 Eu1 177.9(4) . .
O10 N6 Eu1 58.0(2) . .
O8 N6 Eu1 59.3(2) . .
O12 N7 O13 121.7(5) . .
O12 N7 O11 121.9(5) . .
O13 N7 O11 116.4(4) . .
O12 N7 Eu1 176.0(3) . .
O13 N7 Eu1 60.1(2) . .
O11 N7 Eu1 56.5(2) . .
C1 O1 Eu1 151.6(3) . .
C17 O2 Eu1 149.9(3) . 2_666
C18 O3 Eu1 148.6(4) . .
C34 O4 H4A 109.5 . .
N5 O5 Eu1 93.8(3) . .
N5 O7 Eu1 99.0(3) . .
N6 O8 Eu1 95.5(3) . .
N6 O10 Eu1 97.3(3) . .
N7 O11 Eu1 98.4(3) . .
N7 O13 Eu1 94.9(3) . .
C36 O14 H14A 100.7 . .
O14 C36 H36A 109.5 . .
O14 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
O14 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
O3 Eu1 O1 86.69(14) . .
O3 Eu1 O2 84.66(13) . 2_666
O1 Eu1 O2 83.89(13) . 2_666
O3 Eu1 O7 152.80(14) . .
O1 Eu1 O7 85.52(14) . .
O2 Eu1 O7 120.25(12) 2_666 .
O3 Eu1 O11 120.75(12) . .
O1 Eu1 O11 144.70(12) . .
O2 Eu1 O11 77.73(12) 2_666 .
O7 Eu1 O11 78.33(14) . .
O3 Eu1 O10 90.75(14) . .
O1 Eu1 O10 130.11(13) . .
O2 Eu1 O10 145.45(13) 2_666 .
O7 Eu1 O10 74.74(13) . .
O11 Eu1 O10 75.39(13) . .
O3 Eu1 O8 79.96(13) . .
O1 Eu1 O8 80.74(12) . .
O2 Eu1 O8 158.79(13) 2_666 .
O7 Eu1 O8 73.08(13) . .
O11 Eu1 O8 122.82(12) . .
O10 Eu1 O8 49.89(13) . .
O3 Eu1 O5 149.85(12) . .
O1 Eu1 O5 75.19(13) . .
O2 Eu1 O5 69.82(11) 2_666 .
O7 Eu1 O5 50.64(11) . .
O11 Eu1 O5 70.27(12) . .
O10 Eu1 O5 119.37(13) . .
O8 Eu1 O5 119.48(12) . .
O3 Eu1 O13 71.01(13) . .
O1 Eu1 O13 151.84(13) . .
O2 Eu1 O13 77.26(13) 2_666 .
O7 Eu1 O13 122.06(14) . .
O11 Eu1 O13 50.07(12) . .
O10 Eu1 O13 68.92(12) . .
O8 Eu1 O13 110.86(13) . .
O5 Eu1 O13 116.36(13) . .
O3 Eu1 N5 165.84(14) . .
O1 Eu1 N5 79.21(14) . .
O2 Eu1 N5 95.08(12) 2_666 .
O7 Eu1 N5 25.30(11) . .
O11 Eu1 N5 72.79(13) . .
O10 Eu1 N5 97.27(13) . .
O8 Eu1 N5 96.30(13) . .
O5 Eu1 N5 25.35(10) . .
O13 Eu1 N5 122.80(14) . .
O3 Eu1 N6 84.34(13) . .
O1 Eu1 N6 105.73(13) . .
O2 Eu1 N6 164.91(12) 2_666 .
O7 Eu1 N6 72.83(12) . .
O11 Eu1 N6 99.20(13) . .
O10 Eu1 N6 24.76(13) . .
O8 Eu1 N6 25.15(13) . .
O5 Eu1 N6 123.42(11) . .
O13 Eu1 N6 89.40(13) . .
N5 Eu1 N6 98.11(12) . .
O3 Eu1 N7 95.71(13) . .
O1 Eu1 N7 158.47(11) . .
O2 Eu1 N7 75.07(12) 2_666 .
O7 Eu1 N7 101.02(14) . .
O11 Eu1 N7 25.11(12) . .
O10 Eu1 N7 71.35(12) . .
O8 Eu1 N7 120.77(11) . .
O5 Eu1 N7 92.99(13) . .
O13 Eu1 N7 25.01(12) . .
N5 Eu1 N7 97.90(14) . .
N6 Eu1 N7 95.80(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.288(6) .
C1 C2 1.408(7) .
C1 C6 1.440(6) .
C2 C3 1.361(8) .
C2 H2 0.9300 .
C3 C4 1.398(8) .
C3 H3 0.9300 .
C4 C5 1.353(8) .
C4 H4 0.9300 .
C5 C6 1.412(7) .
C5 H5 0.9300 .
C6 C7 1.415(7) .
C7 N1 1.287(6) .
C7 H7 0.9300 .
C8 N1 1.465(6) .
C8 C9 1.513(7) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.516(7) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 N2 1.462(6) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 N2 1.283(6) .
C11 C12 1.425(7) .
C11 H11 0.9300 .
C12 C17 1.414(7) .
C12 C13 1.416(6) .
C13 C14 1.342(9) .
C13 H13 0.9300 .
C14 C15 1.380(9) .
C14 H14 0.9300 .
C15 C16 1.387(7) .
C15 H15 0.9300 .
C16 C17 1.390(7) .
C16 H16 0.9300 .
C17 O2 1.312(5) .
C18 O3 1.294(6) .
C18 C19 1.411(8) .
C18 C23 1.421(8) .
C19 C20 1.353(9) .
C19 H19 0.9300 .
C20 C21 1.390(12) .
C20 H20 0.9300 .
C21 C22 1.352(12) .
C21 H21 0.9300 .
C22 C23 1.406(9) .
C22 H22 0.9300 .
C23 C24 1.420(10) .
C24 N3 1.287(9) .
C24 H24 0.9300 .
C25 N3 1.475(9) .
C25 C26 1.491(9) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C27 1.525(10) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 N4 1.461(9) .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C28 N4 1.275(9) .
C28 C29 1.429(10) .
C28 H28 0.9300 .
C29 C30 1.409(10) .
C29 C34 1.413(9) .
C30 C31 1.390(13) .
C30 H30 0.9300 .
C31 C32 1.363(12) .
C31 H31 0.9300 .
C32 C33 1.344(12) .
C32 H32 0.9300 .
C33 C34 1.381(11) .
C33 H33 0.9300 .
C34 O4 1.309(8) .
C35 Cl2 1.678(9) .
C35 Cl1 1.714(9) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
N1 H111 0.898(10) .
N2 H121 0.898(10) .
N3 H131 0.900(10) .
N5 O6 1.214(6) .
N5 O5 1.259(5) .
N5 O7 1.269(5) .
N5 Eu1 2.934(4) .
N6 O9 1.228(5) .
N6 O10 1.252(6) .
N6 O8 1.266(5) .
N6 Eu1 2.965(4) .
N7 O12 1.215(6) .
N7 O13 1.264(6) .
N7 O11 1.278(5) .
N7 Eu1 2.978(4) .
O1 Eu1 2.289(3) .
O2 Eu1 2.310(3) 2_666
O3 Eu1 2.282(4) .
O4 H4A 0.8200 .
O5 Eu1 2.569(4) .
O7 Eu1 2.455(3) .
O8 Eu1 2.562(4) .
O10 Eu1 2.535(3) .
O11 Eu1 2.509(4) .
O13 Eu1 2.590(4) .
O14 C36 1.437(9) .
O14 H14A 0.8193 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
Eu1 O2 2.310(3) 2_666
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O4 H4A N4 0.82 1.89 2.602(8) 144.8 .
N3 H131 O13 0.900(10) 2.40(5) 3.162(7) 143(7) .
N3 H131 O3 0.900(10) 1.91(5) 2.631(6) 136(7) .
N2 H121 O11 0.898(10) 2.39(4) 3.029(5) 128(4) 2_666
N2 H121 O2 0.898(10) 1.94(4) 2.653(6) 135(5) .
N1 H111 O2 0.898(10) 2.54(4) 3.308(5) 144(5) 2_666
N1 H111 O1 0.898(10) 2.01(5) 2.684(5) 131(5) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139159479
