#------------------------------------------------------------------------------
#$Date: 2021-09-15 00:57:47 +0200 (Wed 15 de Sep de 2021) $
#$Revision: 269141 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/82/7708298.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_7708298
loop_
_publ_author_name
'Zhao, Yuming'
'Liu, Jinhui'
'Wang, Sha'
'Zhai, Xu'
'Shao, Lei'
'Liu, Yunling'
'Zhang, Xuemin'
'Chen, Junyi'
'Meng, Fanbao'
'Fu, Yu'
_publ_section_title
;
 A dual-emissive europium-based metal--organic framework for selective and
 sensitive detection of Fe3+ and Fe2+
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT02249K
_journal_year                    2021
_chemical_formula_moiety         'C36 H40 Eu2 N4 O19'
_chemical_formula_sum            'C36 H40 Eu2 N4 O19'
_chemical_formula_weight         1136.64
_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   mixed
_audit_creation_date             2021-01-05
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2021-04-08 deposited with the CCDC.	2021-08-20 downloaded from the CCDC.
;
_cell_angle_alpha                103.803(4)
_cell_angle_beta                 109.918(4)
_cell_angle_gamma                96.736(5)
_cell_formula_units_Z            1
_cell_length_a                   10.5002(16)
_cell_length_b                   11.1380(16)
_cell_length_c                   12.5451(18)
_cell_measurement_reflns_used    9956
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      34.957
_cell_measurement_theta_min      2.975
_cell_volume                     1307.5(3)
_computing_cell_refinement       'SAINT V8.40A (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.40A (Bruker, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (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 0.986
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_unetI/netI     0.0946
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            19673
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.997
_diffrn_reflns_theta_min         2.975
_diffrn_source_current           40.0
_diffrn_source_power             2.0
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.442
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.5787
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1214 before and 0.0842 after correction.
The Ratio of minimum to maximum transmission is 0.7748.
The λ/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    1.444
_exptl_crystal_description       block
_exptl_crystal_F_000             562
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.677
_refine_diff_density_min         -1.527
_refine_diff_density_rms         0.243
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         11211
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0548
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0928P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1509
_refine_ls_wR_factor_ref         0.1565
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9918
_reflns_number_total             11211
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02249k2.cif
_cod_data_source_block           a_sq
_cod_database_code               7708298
_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.
;
_shelx_estimated_absorpt_t_max   0.792
_shelx_estimated_absorpt_t_min   0.758
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 N1A-C18A \\sim N1-C17
 with sigma of 0.02
 N1A-C17A \\sim N1-C18
 with sigma of 0.02
 C16A-C18A \\sim C16-C17
 with sigma of 0.04
 C16A-C17A \\sim C16-C18
 with sigma of 0.04
 C17A-C18A \\sim C18-C17
 with sigma of 0.04
 O8-N1A \\sim O8-N1
 with sigma of 0.04
 N1A-C18A \\sim N1A-C17A
 with sigma of 0.02
 N1-C18 \\sim N1-C17
 with sigma of 0.02
 O8-C16A \\sim O8-C16
 with sigma of 0.02
 N1A-C16A \\sim N1-C16
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
O11A \\sim O11: within 2A with sigma of 0.005 and sigma for terminal atoms of
0.01 within 2A
Uanis(O11A) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Rigid body (RIGU) restrains
 C16A, N1A, C18A, C17A, O8
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 C17, N1, C18, C16, O8
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 Sof(C16)=Sof(H16)=Sof(N1)=Sof(C17)=Sof(H17D)=Sof(H17E)=Sof(H17F)=Sof(C18)=
 Sof(H18D)=Sof(H18E)=Sof(H18F)=1-FVAR(1)
 Sof(N1A)=Sof(C16A)=Sof(H16A)=Sof(C17A)=Sof(H17A)=Sof(H17B)=Sof(H17C)=
 Sof(C18A)=Sof(H18A)=Sof(H18B)=Sof(H18C)=FVAR(1)
 Fixed Sof: H15(0.5) H3(0.75) H7(0.5) H4(0.75) O3(0.5) H3A(0.5) O6(0.5)
 H6(0.5) O11(0.25) H11(0.25) O11A(0.25) H11D(0.25)
6.a Riding coordinates:
 O11A(H11D)
6.b Aromatic/amide H refined with riding coordinates:
 C15(H15), C14(H14), C9(H9), C3(H3), C8(H8), C7(H7), C4(H4), C16A(H16A),
 C16(H16)
6.c Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C17A(H17A,H17B,H17C), C18A(H18A,
 H18B,H18C), C17(H17D,H17E,H17F), C18(H18D,H18E,H18F)
6.d Idealised tetrahedral OH refined as rotating group:
 O3(H3A), O6(H6), O11(H11)
;
_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
Eu1 Eu 0.60107(2) 0.55122(2) 0.68063(2) 0.01511(6) Uani 1 1 d . . . . .
O1 O 0.6549(3) 0.4986(3) 0.5133(3) 0.0256(5) Uani 1 1 d . . . . .
O2 O 0.6254(3) 0.4328(3) 0.3251(3) 0.0293(6) Uani 1 1 d . . . . .
O5 O 0.4373(4) 0.2758(2) 0.3969(3) 0.0299(6) Uani 1 1 d . . . . .
O7 O 0.5770(4) 0.4804(3) 0.8417(3) 0.0341(7) Uani 1 1 d . . . . .
O9 O 0.6775(3) 0.7497(3) 0.8515(3) 0.0323(7) Uani 1 1 d . . . . .
O4 O 0.4939(4) 0.3347(2) 0.5942(3) 0.0291(6) Uani 1 1 d . . . . .
O10 O 0.8243(4) 0.6995(3) 0.7685(4) 0.0432(9) Uani 1 1 d . . . . .
C5 C 0.4699(4) 0.2540(3) 0.4957(3) 0.0222(6) Uani 1 1 d . . . . .
C12 C 0.7035(4) 0.4710(3) 0.4337(3) 0.0224(6) Uani 1 1 d . . . . .
C15 C 0.9109(4) 0.4465(4) 0.3811(3) 0.0264(7) Uani 1 1 d . . . . .
H15 H 0.851990 0.410338 0.301858 0.032 Uiso 0.5 1 calc R U P A 4
C1 C 0.7933(4) 0.7732(4) 0.8422(3) 0.0270(7) Uani 1 1 d . . . . .
O8 O 0.7876(5) 0.4450(5) 0.7508(5) 0.0618(13) Uani 1 1 d D . . . .
C14 C 0.9462(4) 0.5378(4) 0.5856(4) 0.0303(8) Uani 1 1 d . . . . .
H14 H 0.910516 0.562832 0.643791 0.036 Uiso 1 1 calc R U . . .
C13 C 0.8558(4) 0.4859(3) 0.4685(3) 0.0231(6) Uani 1 1 d . . . . .
N2 N 0.4946(6) 0.3244(4) 0.9045(4) 0.0432(10) Uani 1 1 d . . . . .
C6 C 0.4827(4) 0.1216(3) 0.4961(3) 0.0239(7) Uani 1 1 d . . . . .
C9 C 0.4832(5) 0.3948(4) 0.8321(4) 0.0313(8) Uani 1 1 d . . . . .
H9 H 0.398508 0.378975 0.769088 0.038 Uiso 1 1 calc R U . . .
C2 C 0.8997(4) 0.8917(4) 0.9242(4) 0.0290(8) Uani 1 1 d . . . . .
C3 C 0.8653(5) 0.9846(4) 0.9990(4) 0.0342(9) Uani 1 1 d . . . . .
H3 H 0.776121 0.974251 0.998956 0.041 Uiso 0.75 1 calc R U P B 2
C8 C 0.5025(5) -0.0867(3) 0.4020(4) 0.0297(8) Uani 1 1 d . . . . .
H8 H 0.504319 -0.145045 0.336043 0.036 Uiso 1 1 calc R U . . .
C7 C 0.4847(5) 0.0345(3) 0.3967(4) 0.0289(8) Uani 1 1 d . . . . .
H7 H 0.474436 0.056678 0.327746 0.035 Uiso 0.5 1 calc R U P C 1
C4 C 0.9653(5) 1.0928(4) 1.0738(4) 0.0328(9) Uani 1 1 d . . . . .
H4 H 0.942269 1.155678 1.123022 0.039 Uiso 0.75 1 calc R U P D 2
C10 C 0.3772(9) 0.2250(7) 0.8840(7) 0.065(2) Uani 1 1 d . . . . .
H10A H 0.335700 0.252464 0.940381 0.098 Uiso 1 1 calc R U . . .
H10B H 0.409069 0.149360 0.893123 0.098 Uiso 1 1 calc R U . . .
H10C H 0.309633 0.207956 0.804925 0.098 Uiso 1 1 calc R U . . .
N1A N 0.9118(9) 0.3098(9) 0.8118(9) 0.048(2) Uani 0.603(12) 1 d D . P E 1
C11 C 0.6216(11) 0.3458(8) 1.0071(7) 0.078(3) Uani 1 1 d . . . . .
H11A H 0.673525 0.283516 0.990104 0.117 Uiso 1 1 calc R U . . .
H11B H 0.599402 0.339337 1.073937 0.117 Uiso 1 1 calc R U . . .
H11C H 0.676098 0.428888 1.025117 0.117 Uiso 1 1 calc R U . . .
O3 O 0.8323(7) 0.3929(9) 0.2671(6) 0.046(2) Uani 0.5 1 d . . P F 3
H3A H 0.756879 0.355110 0.260442 0.068 Uiso 0.5 1 calc R U P F 3
O6 O 0.4660(11) 0.0588(6) 0.2917(6) 0.046(2) Uani 0.5 1 d . . P G 2
H6 H 0.500448 0.133369 0.304578 0.068 Uiso 0.5 1 calc R U P G 2
O11 O 0.7354(16) 0.9848(13) 0.9951(13) 0.042(4) Uani 0.25 1 d . . P H 1
H11 H 0.679675 0.932058 0.934105 0.063 Uiso 0.25 1 calc R U P H 1
C16A C 0.8005(9) 0.3545(10) 0.7642(10) 0.050(2) Uani 0.603(12) 1 d D . P E 1
H16A H 0.717251 0.295837 0.737042 0.060 Uiso 0.603(12) 1 calc R U P E 1
C17A C 1.0495(12) 0.3951(14) 0.8729(16) 0.083(5) Uani 0.603(12) 1 d D . P E 1
H17A H 1.095703 0.392380 0.818523 0.124 Uiso 0.603(12) 1 calc R U P E 1
H17B H 1.103271 0.368707 0.938592 0.124 Uiso 0.603(12) 1 calc R U P E 1
H17C H 1.039503 0.480021 0.901661 0.124 Uiso 0.603(12) 1 calc R U P E 1
C18A C 0.9086(18) 0.1730(12) 0.7976(14) 0.076(4) Uani 0.603(12) 1 d D . P E 1
H18A H 0.934465 0.159016 0.874036 0.114 Uiso 0.603(12) 1 calc R U P E 1
H18B H 0.972573 0.147176 0.762065 0.114 Uiso 0.603(12) 1 calc R U P E 1
H18C H 0.816575 0.124569 0.747533 0.114 Uiso 0.603(12) 1 calc R U P E 1
C16 C 0.8855(14) 0.4333(13) 0.8006(14) 0.047(3) Uani 0.397(12) 1 d D . P E 2
H16 H 0.954243 0.502416 0.814313 0.056 Uiso 0.397(12) 1 calc R U P E 2
N1 N 0.9400(12) 0.3488(10) 0.8498(11) 0.035(2) Uani 0.397(12) 1 d D . P E 2
C17 C 1.0867(18) 0.3715(19) 0.930(2) 0.076(7) Uani 0.397(12) 1 d D . P E 2
H17D H 1.134156 0.454425 0.938100 0.114 Uiso 0.397(12) 1 calc R U P E 2
H17E H 1.129734 0.309071 0.896702 0.114 Uiso 0.397(12) 1 calc R U P E 2
H17F H 1.091805 0.365747 1.006070 0.114 Uiso 0.397(12) 1 calc R U P E 2
C18 C 0.8554(19) 0.2205(14) 0.812(2) 0.067(6) Uani 0.397(12) 1 d D . P E 2
H18D H 0.769690 0.224686 0.822667 0.101 Uiso 0.397(12) 1 calc R U P E 2
H18E H 0.904889 0.171503 0.858426 0.101 Uiso 0.397(12) 1 calc R U P E 2
H18F H 0.836293 0.181283 0.729435 0.101 Uiso 0.397(12) 1 calc R U P E 2
O11A O 0.923(2) 1.1750(18) 1.1419(18) 0.060(5) Uani 0.25 1 d . U P I 1
H11D H 0.973193 1.245487 1.164008 0.090 Uiso 0.25 1 d R U P I 1
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
O1 Eu1 Eu1 41.88(8) . 2_666 ?
O1 Eu1 Eu1 33.15(6) 2_666 2_666 ?
O1 Eu1 O1 75.03(10) . 2_666 ?
O1 Eu1 O2 123.92(11) . 2_666 ?
O1 Eu1 O5 76.78(11) . 2_666 ?
O1 Eu1 O7 144.75(12) . . ?
O1 Eu1 O9 131.75(9) . . ?
O1 Eu1 O4 77.48(10) . . ?
O1 Eu1 O10 84.49(11) . . ?
O1 Eu1 C12 24.91(9) 2_666 2_666 ?
O1 Eu1 C12 99.94(11) . 2_666 ?
O1 Eu1 C1 107.95(11) . . ?
O1 Eu1 O8 80.49(16) . . ?
O2 Eu1 Eu1 82.08(7) 2_666 2_666 ?
O2 Eu1 O1 48.97(9) 2_666 2_666 ?
O2 Eu1 O7 73.53(12) 2_666 . ?
O2 Eu1 O9 83.90(11) 2_666 . ?
O2 Eu1 O10 133.91(11) 2_666 . ?
O2 Eu1 C12 24.10(10) 2_666 2_666 ?
O2 Eu1 C1 109.20(12) 2_666 . ?
O2 Eu1 O8 142.76(14) 2_666 . ?
O5 Eu1 Eu1 65.79(7) 2_666 2_666 ?
O5 Eu1 O1 66.03(9) 2_666 2_666 ?
O5 Eu1 O2 77.82(12) 2_666 2_666 ?
O5 Eu1 O7 138.36(12) 2_666 . ?
O5 Eu1 O9 71.75(11) 2_666 . ?
O5 Eu1 O10 74.72(14) 2_666 . ?
O5 Eu1 C12 71.32(11) 2_666 2_666 ?
O5 Eu1 C1 70.54(12) 2_666 . ?
O5 Eu1 O8 138.86(15) 2_666 . ?
O7 Eu1 Eu1 136.62(8) . 2_666 ?
O7 Eu1 O1 112.51(11) . 2_666 ?
O7 Eu1 O9 75.69(11) . . ?
O7 Eu1 O10 104.91(14) . . ?
O7 Eu1 C12 92.16(12) . 2_666 ?
O7 Eu1 C1 91.09(12) . . ?
O7 Eu1 O8 71.82(16) . . ?
O9 Eu1 Eu1 137.16(9) . 2_666 ?
O9 Eu1 O1 121.04(11) . 2_666 ?
O9 Eu1 C12 103.37(11) . 2_666 ?
O9 Eu1 C1 26.64(11) . . ?
O4 Eu1 Eu1 66.25(8) . 2_666 ?
O4 Eu1 O1 66.10(10) . 2_666 ?
O4 Eu1 O2 82.08(11) . 2_666 ?
O4 Eu1 O5 129.87(11) . 2_666 ?
O4 Eu1 O7 75.14(11) . . ?
O4 Eu1 O9 150.18(10) . . ?
O4 Eu1 O10 143.30(13) . . ?
O4 Eu1 C12 71.77(11) . 2_666 ?
O4 Eu1 C1 159.26(13) . . ?
O4 Eu1 O8 76.29(17) . . ?
O10 Eu1 Eu1 117.74(11) . 2_666 ?
O10 Eu1 O1 138.78(13) . 2_666 ?
O10 Eu1 O9 52.64(11) . . ?
O10 Eu1 C12 143.60(13) . 2_666 ?
O10 Eu1 C1 26.02(12) . . ?
C12 Eu1 Eu1 58.06(7) 2_666 2_666 ?
C1 Eu1 Eu1 131.19(9) . 2_666 ?
C1 Eu1 O1 134.46(11) . 2_666 ?
C1 Eu1 C12 125.12(12) . 2_666 ?
O8 Eu1 Eu1 115.10(14) . 2_666 ?
O8 Eu1 O1 138.52(16) . 2_666 ?
O8 Eu1 O9 100.27(18) . . ?
O8 Eu1 O10 69.31(17) . . ?
O8 Eu1 C12 147.07(15) . 2_666 ?
O8 Eu1 C1 84.78(17) . . ?
Eu1 O1 Eu1 104.97(10) . 2_666 ?
C12 O1 Eu1 170.9(3) . . ?
C12 O1 Eu1 84.1(2) . 2_666 ?
C12 O2 Eu1 105.4(2) . 2_666 ?
C5 O5 Eu1 138.6(2) . 2_666 ?
C9 O7 Eu1 125.6(3) . . ?
C1 O9 Eu1 90.6(2) . . ?
C5 O4 Eu1 134.6(3) . . ?
C1 O10 Eu1 94.8(3) . . ?
O5 C5 O4 125.5(3) . . ?
O5 C5 C6 116.9(3) . . ?
O4 C5 C6 117.6(3) . . ?
O1 C12 Eu1 71.0(2) . 2_666 ?
O1 C12 O2 121.3(4) . . ?
O1 C12 C13 119.3(3) . . ?
O2 C12 Eu1 50.53(19) . 2_666 ?
O2 C12 C13 119.3(3) . . ?
C13 C12 Eu1 168.6(3) . 2_666 ?
C14 C15 H15 120.2 2_766 . ?
C14 C15 C13 119.5(3) 2_766 . ?
C13 C15 H15 120.2 . . ?
O3 C15 C13 123.1(4) . . ?
O9 C1 Eu1 62.73(19) . . ?
O9 C1 C2 120.0(4) . . ?
O10 C1 Eu1 59.2(2) . . ?
O10 C1 O9 121.8(3) . . ?
O10 C1 C2 118.2(4) . . ?
C2 C1 Eu1 177.1(3) . . ?
C16A O8 Eu1 138.7(6) . . ?
C16 O8 Eu1 158.9(10) . . ?
C15 C14 H14 119.1 2_766 . ?
C13 C14 C15 121.8(4) . 2_766 ?
C13 C14 H14 119.1 . . ?
C15 C13 C12 119.9(3) . . ?
C14 C13 C12 121.4(3) . . ?
C14 C13 C15 118.7(3) . . ?
C9 N2 C10 120.3(6) . . ?
C9 N2 C11 120.9(5) . . ?
C11 N2 C10 118.8(6) . . ?
C8 C6 C5 119.6(3) 2_656 . ?
C8 C6 C7 119.7(3) 2_656 . ?
C7 C6 C5 120.7(3) . . ?
O7 C9 N2 124.9(5) . . ?
O7 C9 H9 117.5 . . ?
N2 C9 H9 117.5 . . ?
C3 C2 C1 120.6(4) . . ?
C3 C2 C4 119.9(3) . 2_777 ?
C4 C2 C1 119.5(4) 2_777 . ?
C2 C3 H3 120.3 . . ?
C4 C3 C2 119.5(4) . . ?
C4 C3 H3 120.3 . . ?
O11 C3 C2 124.2(6) . . ?
O11 C3 C4 115.8(6) . . ?
C6 C8 H8 119.4 2_656 . ?
C6 C8 C7 121.3(3) 2_656 . ?
C7 C8 H8 119.4 . . ?
C6 C7 C8 119.1(4) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 H7 120.5 . . ?
O6 C7 C6 123.8(4) . . ?
O6 C7 C8 117.1(4) . . ?
C2 C4 H4 119.7 2_777 . ?
C3 C4 C2 120.6(4) . 2_777 ?
C3 C4 H4 119.7 . . ?
O11A C4 C2 124.5(9) . 2_777 ?
O11A C4 C3 114.9(9) . . ?
N2 C10 H10A 109.5 . . ?
N2 C10 H10B 109.5 . . ?
N2 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16A N1A C17A 120.3(10) . . ?
C16A N1A C18A 123.5(10) . . ?
C17A N1A C18A 116.0(10) . . ?
N2 C11 H11A 109.5 . . ?
N2 C11 H11B 109.5 . . ?
N2 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 O3 H3A 109.5 . . ?
C7 O6 H6 109.5 . . ?
C3 O11 H11 109.5 . . ?
O8 C16A N1A 132.9(10) . . ?
O8 C16A H16A 113.6 . . ?
N1A C16A H16A 113.6 . . ?
N1A C17A H17A 109.5 . . ?
N1A C17A H17B 109.5 . . ?
N1A C17A H17C 109.5 . . ?
H17A C17A H17B 109.5 . . ?
H17A C17A H17C 109.5 . . ?
H17B C17A H17C 109.5 . . ?
N1A C18A H18A 109.5 . . ?
N1A C18A H18B 109.5 . . ?
N1A C18A H18C 109.5 . . ?
H18A C18A H18B 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
O8 C16 H16 110.7 . . ?
O8 C16 N1 138.6(14) . . ?
N1 C16 H16 110.7 . . ?
C16 N1 C17 123.7(13) . . ?
C16 N1 C18 118.4(12) . . ?
C18 N1 C17 117.5(12) . . ?
N1 C17 H17D 109.5 . . ?
N1 C17 H17E 109.5 . . ?
N1 C17 H17F 109.5 . . ?
H17D C17 H17E 109.5 . . ?
H17D C17 H17F 109.5 . . ?
H17E C17 H17F 109.5 . . ?
N1 C18 H18D 109.5 . . ?
N1 C18 H18E 109.5 . . ?
N1 C18 H18F 109.5 . . ?
H18D C18 H18E 109.5 . . ?
H18D C18 H18F 109.5 . . ?
H18E C18 H18F 109.5 . . ?
C4 O11A H11D 109.9 . . ?
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 Eu1 4.0936(6) 2_666 ?
Eu1 O1 2.317(3) . ?
Eu1 O1 2.829(3) 2_666 ?
Eu1 O2 2.384(3) 2_666 ?
Eu1 O5 2.373(3) 2_666 ?
Eu1 O7 2.415(3) . ?
Eu1 O9 2.506(3) . ?
Eu1 O4 2.354(3) . ?
Eu1 O10 2.429(3) . ?
Eu1 C12 2.977(4) 2_666 ?
Eu1 C1 2.819(3) . ?
Eu1 O8 2.424(5) . ?
O1 C12 1.261(5) . ?
O2 C12 1.261(5) . ?
O5 C5 1.259(5) . ?
O7 C9 1.240(6) . ?
O9 C1 1.264(5) . ?
O4 C5 1.266(4) . ?
O10 C1 1.241(5) . ?
C5 C6 1.497(5) . ?
C12 C13 1.485(5) . ?
C15 H15 0.9300 . ?
C15 C14 1.390(6) 2_766 ?
C15 C13 1.410(5) . ?
C15 O3 1.325(7) . ?
C1 C2 1.507(5) . ?
O8 C16A 1.077(10) . ?
O8 C16 1.046(12) . ?
C14 H14 0.9300 . ?
C14 C13 1.382(5) . ?
N2 C9 1.320(6) . ?
N2 C10 1.463(8) . ?
N2 C11 1.450(10) . ?
C6 C8 1.387(6) 2_656 ?
C6 C7 1.395(5) . ?
C9 H9 0.9300 . ?
C2 C3 1.392(6) . ?
C2 C4 1.398(6) 2_777 ?
C3 H3 0.9300 . ?
C3 C4 1.388(5) . ?
C3 O11 1.349(15) . ?
C8 H8 0.9300 . ?
C8 C7 1.399(5) . ?
C7 H7 0.9300 . ?
C7 O6 1.361(8) . ?
C4 H4 0.9300 . ?
C4 O11A 1.32(2) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
N1A C16A 1.332(10) . ?
N1A C17A 1.468(12) . ?
N1A C18A 1.486(12) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
O3 H3A 0.8200 . ?
O6 H6 0.8200 . ?
O11 H11 0.8200 . ?
C16A H16A 0.9300 . ?
C17A H17A 0.9600 . ?
C17A H17B 0.9600 . ?
C17A H17C 0.9600 . ?
C18A H18A 0.9600 . ?
C18A H18B 0.9600 . ?
C18A H18C 0.9600 . ?
C16 H16 0.9300 . ?
C16 N1 1.326(13) . ?
N1 C17 1.476(13) . ?
N1 C18 1.465(13) . ?
C17 H17D 0.9600 . ?
C17 H17E 0.9600 . ?
C17 H17F 0.9600 . ?
C18 H18D 0.9600 . ?
C18 H18E 0.9600 . ?
C18 H18F 0.9600 . ?
O11A H11D 0.8199 . ?
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
Eu1 O1 C12 O2 -4.3(4) 2_666 . . . ?
Eu1 O1 C12 C13 174.7(3) 2_666 . . . ?
Eu1 O2 C12 O1 5.2(4) 2_666 . . . ?
Eu1 O2 C12 C13 -173.7(3) 2_666 . . . ?
Eu1 O5 C5 O4 0.1(7) 2_666 . . . ?
Eu1 O5 C5 C6 -179.2(3) 2_666 . . . ?
Eu1 O7 C9 N2 153.1(4) . . . . ?
Eu1 O9 C1 O10 -2.9(5) . . . . ?
Eu1 O9 C1 C2 178.7(4) . . . . ?
Eu1 O4 C5 O5 -36.6(7) . . . . ?
Eu1 O4 C5 C6 142.6(3) . . . . ?
Eu1 O10 C1 O9 3.0(5) . . . . ?
Eu1 O10 C1 C2 -178.6(3) . . . . ?
Eu1 C12 C13 C15 -31.2(15) 2_666 . . . ?
Eu1 C12 C13 C14 148.9(11) 2_666 . . . ?
Eu1 O8 C16A N1A -174.7(9) . . . . ?
Eu1 O8 C16 N1 143.5(16) . . . . ?
O1 C12 C13 C15 175.3(4) . . . . ?
O1 C12 C13 C14 -4.6(6) . . . . ?
O2 C12 C13 C15 -5.8(6) . . . . ?
O2 C12 C13 C14 174.3(4) . . . . ?
O5 C5 C6 C8 -170.3(4) . . . 2_656 ?
O5 C5 C6 C7 12.0(6) . . . . ?
O9 C1 C2 C3 -9.0(7) . . . . ?
O9 C1 C2 C4 169.9(5) . . . 2_777 ?
O4 C5 C6 C8 10.4(6) . . . 2_656 ?
O4 C5 C6 C7 -167.4(4) . . . . ?
O10 C1 C2 C3 172.6(5) . . . . ?
O10 C1 C2 C4 -8.5(7) . . . 2_777 ?
C5 C6 C7 C8 177.4(4) . . . . ?
C5 C6 C7 O6 -4.7(8) . . . . ?
C15 C14 C13 C12 -179.2(4) 2_766 . . . ?
C15 C14 C13 C15 0.9(8) 2_766 . . . ?
C1 C2 C3 C4 179.9(4) . . . . ?
C1 C2 C3 O11 -8.3(12) . . . . ?
O8 C16 N1 C17 -172(2) . . . . ?
O8 C16 N1 C18 16(3) . . . . ?
C14 C15 C13 C12 179.3(4) 2_766 . . . ?
C14 C15 C13 C14 -0.9(7) 2_766 . . . ?
C6 C8 C7 C6 0.3(8) 2_656 . . . ?
C6 C8 C7 O6 -177.7(6) 2_656 . . . ?
C2 C3 C4 C2 -1.0(9) . . . 2_777 ?
C2 C3 C4 O11A -179.6(12) . . . . ?
C8 C6 C7 C8 -0.3(8) 2_656 . . . ?
C8 C6 C7 O6 177.6(7) 2_656 . . . ?
C4 C2 C3 C4 1.0(9) 2_777 . . . ?
C4 C2 C3 O11 172.9(10) 2_777 . . . ?
C10 N2 C9 O7 -179.5(6) . . . . ?
C11 N2 C9 O7 2.1(9) . . . . ?
O3 C15 C13 C12 -1.6(8) . . . . ?
O3 C15 C13 C14 178.3(7) . . . . ?
O11 C3 C4 C2 -173.5(9) . . . 2_777 ?
O11 C3 C4 O11A 7.8(16) . . . . ?
C17A N1A C16A O8 8(2) . . . . ?
C18A N1A C16A O8 -165.9(14) . . . . ?
