#------------------------------------------------------------------------------
#$Date: 2024-12-06 17:24:50 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296308 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/38/7133807.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_7133807
loop_
_publ_author_name
'Wang, Hao'
'Sun, Xiao-Han'
'Wang, Tian-Tian'
'Li, Yu-Xin'
'Xu, Ying-Ming'
'Sun, Wen-Bin'
_publ_section_title
;
 Two-dimensional viologen-based lanthanide coordination polymers as
 multi-stimuli responsive materials to light and amines with a
 fluorescence response.
;
_journal_issue                   85
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              12413
_journal_page_last               12416
_journal_paper_doi               10.1039/d4cc04356a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_moiety         'C24 H23 Eu N2 O9, 0.25[], 0.25[]'
_chemical_formula_sum            'C24 H26 Eu N3 O14'
_chemical_formula_weight         732.44
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2024-09-11
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2024-09-21 deposited with the CCDC.	2024-10-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.0075(6)
_cell_length_b                   18.7510(5)
_cell_length_c                   20.4381(5)
_cell_measurement_reflns_used    3035
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.0520
_cell_measurement_theta_min      4.4950
_cell_volume                     5368.2(3)
_computing_cell_refinement       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.49 (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.1281
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -28.00  37.00   1.00   20.00    --    0.00  77.00-150.00   65
  2  ω    -15.00  32.00   1.00   20.00    --    0.00  57.00  30.00   47
  3  ω     22.00  61.00   1.00   65.00    --   54.63-125.00 -30.00   39
  4  ω     34.00 117.00   1.00   65.00    --   54.63  57.00 -30.00   83
  5  ω     33.00 100.00   1.00   65.00    --   54.63  57.00  60.00   67
  6  ω     91.00 118.00   1.00   65.00    --   54.63  57.00  90.00   27
  7  ω     43.00 125.00   1.00   65.00    --  109.26 -50.00  30.00   82
  8  ω     55.00 137.00   1.00   65.00    --  109.26 -77.00 -90.00   82
  9  ω     38.00  66.00   1.00   65.00    --  109.26 -91.00 -90.00   28
 10  ω     41.00 126.00   1.00   65.00    --  109.26 -50.00 120.00   85
 11  ω    133.00 172.00   1.00   65.00    --  109.26  50.00   0.00   39
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0475332000
_diffrn_orient_matrix_UB_12      -0.0738843000
_diffrn_orient_matrix_UB_13      -0.0055834000
_diffrn_orient_matrix_UB_21      0.0585001000
_diffrn_orient_matrix_UB_22      0.0263839000
_diffrn_orient_matrix_UB_23      -0.0590071000
_diffrn_orient_matrix_UB_31      0.0800329000
_diffrn_orient_matrix_UB_32      0.0245452000
_diffrn_orient_matrix_UB_33      0.0465674000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0571
_diffrn_reflns_av_unetI/netI     0.0692
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            12662
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        67.250
_diffrn_reflns_theta_max         67.250
_diffrn_reflns_theta_min         4.326
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    17.429
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.49 (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_description       block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.669
_refine_diff_density_min         -0.588
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         4805
_refine_ls_number_restraints     58
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0913
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0864P)²+7.9634P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1464
_refine_ls_wR_factor_ref         0.1695
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3256
_reflns_number_total             4805
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4cc04356a2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7133807--7133808.cif.'
_cod_database_code               7133807
_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   0.336
_shelx_estimated_absorpt_t_min   0.303
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 N3-O12 = N3-O14
 1.25 with sigma of 0.02
 N3-O13
 1.24 with sigma of 0.02
 N3-O12 \\sim N3-O13 \\sim N3-O14
 with sigma of 0.02
 O12-O13 \\sim O13-O14 \\sim O14-O12
 with sigma of 0.04
3. Restrained planarity
 N3, O12, O13, O14
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
N3 \\sim O12 \\sim O13 \\sim O14: within 2A with sigma of 0.04 and sigma for
terminal atoms of 0.08 within 2A
Uanis(O11) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Rigid body (RIGU) restrains
 N3, O12, O13, O14
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Riding coordinates:
 O9(H9A,H9B), O10(H10C,H10D), O11(H11C,H11D)
6.b Secondary CH2 refined with riding coordinates:
 C10(H10A,H10B), C11(H11A,H11B), C24(H24A,H24B), C25(H25A,H25B)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C13(H13), C14(H14), C16(H16), C17(H17),
 C19(H19), C20(H20), C22(H22), C23(H23)
;
_platon_squeeze_void_probe_radius 1.20
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.424
_oxdiff_exptl_absorpt_empirical_full_min 0.759
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, 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 0.54864(4) 0.46896(2) 0.40580(2) 0.02730(18) Uani 1 1 d . . . . .
O1 O 0.5575(5) 0.3765(3) 0.3327(3) 0.0460(16) Uani 1 1 d . . . . .
O2 O 0.6468(6) 0.4102(3) 0.2477(3) 0.0553(18) Uani 1 1 d . . . . .
O3 O 0.5116(5) 0.0364(3) 0.1954(3) 0.0429(15) Uani 1 1 d . . . . .
O4 O 0.5199(5) 0.0879(3) 0.0992(3) 0.0444(16) Uani 1 1 d . . . . .
O5 O 0.5933(5) 0.5210(3) 0.5079(3) 0.0387(14) Uani 1 1 d . . . . .
O6 O 0.6281(5) 0.5528(3) 0.6075(3) 0.0466(16) Uani 1 1 d . . . . .
O7 O 0.7225(5) 0.0632(3) 0.9013(3) 0.0427(15) Uani 1 1 d . . . . .
O8 O 0.6800(5) -0.0423(3) 0.8660(3) 0.0481(17) Uani 1 1 d . . . . .
O9 O 0.5570(5) 0.3664(3) 0.4769(3) 0.0522(19) Uani 1 1 d . . . . .
H9A H 0.507401 0.349794 0.500428 0.078 Uiso 1 1 d R U . . .
H9B H 0.599701 0.381094 0.506978 0.078 Uiso 1 1 d R U . . .
C1 C 0.5976(7) 0.3669(5) 0.2783(4) 0.037(2) Uani 1 1 d . . . . .
C2 C 0.5822(6) 0.2933(4) 0.2488(4) 0.0322(19) Uani 1 1 d . . . . .
C3 C 0.5677(6) 0.2345(4) 0.2878(4) 0.034(2) Uani 1 1 d . . . . .
H3 H 0.568638 0.239183 0.333119 0.041 Uiso 1 1 calc R U . . .
C4 C 0.5515(6) 0.1678(4) 0.2595(4) 0.0327(19) Uani 1 1 d . . . . .
H4 H 0.543096 0.128029 0.285996 0.039 Uiso 1 1 calc R U . . .
C5 C 0.5479(6) 0.1606(4) 0.1919(4) 0.0298(17) Uani 1 1 d . . . . .
C6 C 0.5638(6) 0.2207(4) 0.1528(4) 0.034(2) Uani 1 1 d . . . . .
H6 H 0.561276 0.216622 0.107452 0.041 Uiso 1 1 calc R U . . .
C7 C 0.5831(7) 0.2860(4) 0.1809(4) 0.037(2) Uani 1 1 d . . . . .
H7 H 0.596812 0.325093 0.154524 0.045 Uiso 1 1 calc R U . . .
C8 C 0.5260(7) 0.0913(4) 0.1608(4) 0.036(2) Uani 1 1 d . . . . .
C9 C 0.6540(6) 0.5322(4) 0.5537(4) 0.0312(18) Uani 1 1 d . . . . .
C10 C 0.7580(7) 0.5192(5) 0.5386(4) 0.045(2) Uani 1 1 d . . . . .
H10A H 0.762385 0.477484 0.510753 0.054 Uiso 1 1 calc R U . . .
H10B H 0.781545 0.559533 0.513591 0.054 Uiso 1 1 calc R U . . .
C11 C 0.8224(7) 0.5085(6) 0.5956(5) 0.051(2) Uani 1 1 d . . . . .
H11A H 0.813437 0.547879 0.625798 0.061 Uiso 1 1 calc R U . . .
H11B H 0.887881 0.510257 0.580351 0.061 Uiso 1 1 calc R U . . .
N1 N 0.8077(6) 0.4390(4) 0.6328(4) 0.050(2) Uani 1 1 d . . . . .
C13 C 0.7928(9) 0.3780(6) 0.6004(5) 0.062(3) Uani 1 1 d . . . . .
H13 H 0.781499 0.379326 0.555586 0.074 Uiso 1 1 calc R U . . .
C14 C 0.7939(9) 0.3124(6) 0.6325(5) 0.064(3) Uani 1 1 d . . . . .
H14 H 0.784847 0.270163 0.609439 0.076 Uiso 1 1 calc R U . . .
C15 C 0.8088(7) 0.3115(5) 0.6997(4) 0.043(2) Uani 1 1 d . . . . .
C16 C 0.8169(8) 0.3770(5) 0.7319(5) 0.051(3) Uani 1 1 d . . . . .
H16 H 0.821280 0.378324 0.777317 0.061 Uiso 1 1 calc R U . . .
C17 C 0.8185(8) 0.4380(6) 0.6975(5) 0.052(3) Uani 1 1 d . . . . .
H17 H 0.827349 0.480922 0.719498 0.062 Uiso 1 1 calc R U . . .
C18 C 0.8214(6) 0.2433(5) 0.7372(4) 0.040(2) Uani 1 1 d . . . . .
C19 C 0.8445(7) 0.1802(5) 0.7052(4) 0.044(2) Uani 1 1 d . . . . .
H19 H 0.845857 0.178412 0.659714 0.053 Uiso 1 1 calc R U . . .
C20 C 0.8652(7) 0.1207(5) 0.7412(4) 0.046(2) Uani 1 1 d . . . . .
H20 H 0.878230 0.078133 0.719675 0.056 Uiso 1 1 calc R U . . .
N2 N 0.8673(6) 0.1222(4) 0.8065(4) 0.0450(19) Uani 1 1 d . . . . .
C22 C 0.8403(8) 0.1812(5) 0.8388(5) 0.054(3) Uani 1 1 d . . . . .
H22 H 0.838002 0.181014 0.884271 0.064 Uiso 1 1 calc R U . . .
C23 C 0.8164(8) 0.2407(6) 0.8055(5) 0.053(3) Uani 1 1 d . . . . .
H23 H 0.796164 0.280814 0.828369 0.064 Uiso 1 1 calc R U . . .
C24 C 0.9045(8) 0.0589(6) 0.8438(5) 0.056(3) Uani 1 1 d . . . . .
H24A H 0.965960 0.045175 0.825956 0.067 Uiso 1 1 calc R U . . .
H24B H 0.914167 0.072456 0.889181 0.067 Uiso 1 1 calc R U . . .
C25 C 0.8381(8) -0.0039(6) 0.8411(5) 0.053(3) Uani 1 1 d . . . . .
H25A H 0.829518 -0.017159 0.795616 0.064 Uiso 1 1 calc R U . . .
H25B H 0.868601 -0.043714 0.863005 0.064 Uiso 1 1 calc R U . . .
C26 C 0.7421(8) 0.0069(5) 0.8708(4) 0.042(2) Uani 1 1 d . . . . .
O10 O 0.6789(12) 0.2495(7) 0.4812(9) 0.215(8) Uani 1 1 d . . . . .
H10C H 0.657923 0.284015 0.458417 0.323 Uiso 1 1 d R U . . .
H10D H 0.633573 0.219355 0.481357 0.323 Uiso 1 1 d R U . . .
O11 O 0.8482(15) 0.1920(11) 0.4655(10) 0.269(10) Uani 1 1 d . U . . .
H11C H 0.813457 0.207023 0.434249 0.404 Uiso 1 1 d R U . . .
H11D H 0.821187 0.201223 0.501749 0.404 Uiso 1 1 d R U . . .
N3 N 0.5073(10) 0.1223(11) 0.4854(7) 0.176(8) Uani 1 1 d D U . . .
O12 O 0.4343(13) 0.105(2) 0.5047(8) 0.351(14) Uani 1 1 d D U . . .
O13 O 0.5259(12) 0.1233(10) 0.4314(7) 0.189(7) Uani 1 1 d D U . . .
O14 O 0.5558(15) 0.1457(14) 0.5259(9) 0.264(11) Uani 1 1 d D U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -8.9294 11.1857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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 O3 82.2(2) . 3_655 ?
O1 Eu1 O4 133.5(2) . 3_655 ?
O1 Eu1 O5 149.9(2) . . ?
O1 Eu1 O5 121.7(2) . 5_666 ?
O1 Eu1 O6 82.0(2) . 5_666 ?
O1 Eu1 O7 75.0(2) . 7_565 ?
O1 Eu1 O8 99.7(2) . 7_565 ?
O1 Eu1 O9 77.7(2) . . ?
O1 Eu1 H9B 91.3 . . ?
O1 Eu1 C8 108.4(2) . 3_655 ?
O1 Eu1 C9 103.2(2) . 5_666 ?
O1 Eu1 C26 84.5(2) . 7_565 ?
O3 Eu1 O5 104.7(2) 3_655 5_666 ?
O3 Eu1 H9B 172.1 3_655 . ?
O3 Eu1 C8 26.2(2) 3_655 3_655 ?
O3 Eu1 C9 85.0(2) 3_655 5_666 ?
O3 Eu1 C26 91.9(2) 3_655 7_565 ?
O4 Eu1 O3 52.02(17) 3_655 3_655 ?
O4 Eu1 O5 70.60(19) 3_655 5_666 ?
O4 Eu1 O6 75.9(2) 3_655 5_666 ?
O4 Eu1 O7 127.0(2) 3_655 7_565 ?
O4 Eu1 O8 76.5(2) 3_655 7_565 ?
O4 Eu1 H9B 133.4 3_655 . ?
O4 Eu1 C8 26.0(2) 3_655 3_655 ?
O4 Eu1 C9 68.8(2) 3_655 5_666 ?
O4 Eu1 C26 102.7(3) 3_655 7_565 ?
O5 Eu1 O3 126.12(18) . 3_655 ?
O5 Eu1 O4 76.4(2) . 3_655 ?
O5 Eu1 O5 65.7(2) . 5_666 ?
O5 Eu1 O6 114.7(2) . 5_666 ?
O5 Eu1 O7 82.9(2) . 7_565 ?
O5 Eu1 O8 82.1(2) . 7_565 ?
O5 Eu1 O9 77.7(2) . . ?
O5 Eu1 H9B 74.8 5_666 . ?
O5 Eu1 H9B 61.1 . . ?
O5 Eu1 C8 89.2(2) 5_666 3_655 ?
O5 Eu1 C8 100.6(2) . 3_655 ?
O5 Eu1 C9 90.6(2) . 5_666 ?
O5 Eu1 C9 25.7(2) 5_666 5_666 ?
O5 Eu1 C26 84.5(2) . 7_565 ?
O5 Eu1 C26 150.2(2) 5_666 7_565 ?
O6 Eu1 O3 70.7(2) 5_666 3_655 ?
O6 Eu1 O5 49.51(18) 5_666 5_666 ?
O6 Eu1 H9B 103.9 5_666 . ?
O6 Eu1 C8 73.7(2) 5_666 3_655 ?
O6 Eu1 C9 24.1(2) 5_666 5_666 ?
O6 Eu1 C26 159.2(2) 5_666 7_565 ?
O7 Eu1 O3 114.1(2) 7_565 3_655 ?
O7 Eu1 O5 139.91(18) 7_565 5_666 ?
O7 Eu1 O6 155.3(2) 7_565 5_666 ?
O7 Eu1 H9B 68.2 7_565 . ?
O7 Eu1 C8 122.0(2) 7_565 3_655 ?
O7 Eu1 C9 160.0(2) 7_565 5_666 ?
O7 Eu1 C26 26.3(2) 7_565 7_565 ?
O8 Eu1 O3 72.6(2) 7_565 3_655 ?
O8 Eu1 O5 138.1(2) 7_565 5_666 ?
O8 Eu1 O6 142.7(2) 7_565 5_666 ?
O8 Eu1 O7 52.5(2) 7_565 7_565 ?
O8 Eu1 H9B 113.2 7_565 . ?
O8 Eu1 C8 70.4(2) 7_565 3_655 ?
O8 Eu1 C9 145.3(2) 7_565 5_666 ?
O8 Eu1 C26 26.5(2) 7_565 7_565 ?
O9 Eu1 O3 153.3(2) . 3_655 ?
O9 Eu1 O4 140.9(2) . 3_655 ?
O9 Eu1 O5 72.2(2) . 5_666 ?
O9 Eu1 O6 89.1(2) . 5_666 ?
O9 Eu1 O7 77.5(2) . 7_565 ?
O9 Eu1 O8 127.9(2) . 7_565 ?
O9 Eu1 H9B 18.8 . . ?
O9 Eu1 C8 160.4(3) . 3_655 ?
O9 Eu1 C9 82.7(2) . 5_666 ?
O9 Eu1 C26 103.4(3) . 7_565 ?
C8 Eu1 H9B 159.3 3_655 . ?
C8 Eu1 C9 77.8(2) 3_655 5_666 ?
C9 Eu1 H9B 92.0 5_666 . ?
C26 Eu1 H9B 92.1 7_565 . ?
C26 Eu1 C8 95.8(3) 7_565 3_655 ?
C26 Eu1 C9 171.1(2) 7_565 5_666 ?
C1 O1 Eu1 135.1(6) . . ?
C8 O3 Eu1 90.1(5) . 3_645 ?
C8 O4 Eu1 96.5(5) . 3_645 ?
Eu1 O5 Eu1 114.3(2) . 5_666 ?
C9 O5 Eu1 151.5(6) . . ?
C9 O5 Eu1 90.0(5) . 5_666 ?
C9 O6 Eu1 98.2(5) . 5_666 ?
C26 O7 Eu1 91.6(6) . 7_566 ?
C26 O8 Eu1 94.7(6) . 7_566 ?
Eu1 O9 H9A 124.0 . . ?
Eu1 O9 H9B 101.5 . . ?
H9A O9 H9B 104.6 . . ?
O1 C1 C2 114.6(8) . . ?
O2 C1 O1 127.1(8) . . ?
O2 C1 C2 118.3(8) . . ?
C3 C2 C1 121.2(8) . . ?
C3 C2 C7 119.9(7) . . ?
C7 C2 C1 118.9(8) . . ?
C2 C3 H3 120.0 . . ?
C2 C3 C4 120.1(7) . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 119.8 . . ?
C5 C4 C3 120.4(8) . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 118.9(7) . . ?
C4 C5 C8 121.4(7) . . ?
C6 C5 C8 119.7(7) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 C5 120.6(7) . . ?
C7 C6 H6 119.7 . . ?
C2 C7 H7 120.0 . . ?
C6 C7 C2 120.0(8) . . ?
C6 C7 H7 120.0 . . ?
O3 C8 Eu1 63.7(4) . 3_645 ?
O3 C8 C5 120.5(7) . . ?
O4 C8 Eu1 57.5(4) . 3_645 ?
O4 C8 O3 120.4(8) . . ?
O4 C8 C5 119.1(7) . . ?
C5 C8 Eu1 169.6(6) . 3_645 ?
O5 C9 Eu1 64.3(4) . 5_666 ?
O5 C9 C10 117.7(7) . . ?
O6 C9 Eu1 57.7(5) . 5_666 ?
O6 C9 O5 120.8(8) . . ?
O6 C9 C10 121.5(8) . . ?
C10 C9 Eu1 169.5(6) . 5_666 ?
C9 C10 H10A 108.2 . . ?
C9 C10 H10B 108.2 . . ?
H10A C10 H10B 107.3 . . ?
C11 C10 C9 116.5(8) . . ?
C11 C10 H10A 108.2 . . ?
C11 C10 H10B 108.2 . . ?
C10 C11 H11A 108.5 . . ?
C10 C11 H11B 108.5 . . ?
C10 C11 N1 115.1(8) . . ?
H11A C11 H11B 107.5 . . ?
N1 C11 H11A 108.5 . . ?
N1 C11 H11B 108.5 . . ?
C13 N1 C11 120.4(8) . . ?
C17 N1 C11 119.4(9) . . ?
C17 N1 C13 119.9(10) . . ?
N1 C13 H13 119.3 . . ?
N1 C13 C14 121.3(9) . . ?
C14 C13 H13 119.3 . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.5(9) . . ?
C15 C14 H14 120.7 . . ?
C14 C15 C16 117.8(10) . . ?
C14 C15 C18 122.2(9) . . ?
C16 C15 C18 119.9(8) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.2(9) . . ?
C17 C16 H16 119.9 . . ?
N1 C17 C16 122.0(10) . . ?
N1 C17 H17 119.0 . . ?
C16 C17 H17 119.0 . . ?
C19 C18 C15 120.8(8) . . ?
C19 C18 C23 116.9(9) . . ?
C23 C18 C15 122.2(9) . . ?
C18 C19 H19 120.3 . . ?
C20 C19 C18 119.3(8) . . ?
C20 C19 H19 120.3 . . ?
C19 C20 H20 119.1 . . ?
N2 C20 C19 121.7(9) . . ?
N2 C20 H20 119.1 . . ?
C20 N2 C22 120.2(9) . . ?
C20 N2 C24 119.9(8) . . ?
C22 N2 C24 119.9(8) . . ?
N2 C22 H22 119.9 . . ?
N2 C22 C23 120.2(9) . . ?
C23 C22 H22 119.9 . . ?
C18 C23 H23 119.3 . . ?
C22 C23 C18 121.3(9) . . ?
C22 C23 H23 119.3 . . ?
N2 C24 H24A 109.1 . . ?
N2 C24 H24B 109.1 . . ?
H24A C24 H24B 107.8 . . ?
C25 C24 N2 112.6(8) . . ?
C25 C24 H24A 109.1 . . ?
C25 C24 H24B 109.1 . . ?
C24 C25 H25A 108.3 . . ?
C24 C25 H25B 108.3 . . ?
H25A C25 H25B 107.4 . . ?
C26 C25 C24 115.9(9) . . ?
C26 C25 H25A 108.3 . . ?
C26 C25 H25B 108.3 . . ?
O7 C26 Eu1 62.1(5) . 7_566 ?
O7 C26 O8 119.9(9) . . ?
O7 C26 C25 120.9(10) . . ?
O8 C26 Eu1 58.8(5) . 7_566 ?
O8 C26 C25 119.2(9) . . ?
C25 C26 Eu1 170.5(6) . 7_566 ?
H10C O10 H10D 104.5 . . ?
H11C O11 H11D 109.5 . . ?
O12 N3 O14 112.6(16) . . ?
O13 N3 O12 123.2(17) . . ?
O13 N3 O14 123.7(18) . . ?
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 O1 2.292(6) . ?
Eu1 O3 2.567(6) 3_655 ?
Eu1 O4 2.430(6) 3_655 ?
Eu1 O5 2.388(6) . ?
Eu1 O5 2.664(6) 5_666 ?
Eu1 O6 2.525(7) 5_666 ?
Eu1 O7 2.511(7) 7_565 ?
Eu1 O8 2.436(7) 7_565 ?
Eu1 O9 2.413(6) . ?
Eu1 H9B 2.7390 . ?
Eu1 C8 2.865(8) 3_655 ?
Eu1 C9 2.957(9) 5_666 ?
Eu1 C26 2.839(10) 7_565 ?
O1 C1 1.258(11) . ?
O2 C1 1.234(11) . ?
O3 C8 1.265(10) . ?
O4 C8 1.264(10) . ?
O5 C9 1.282(10) . ?
O6 C9 1.221(10) . ?
O7 C26 1.257(11) . ?
O8 C26 1.272(12) . ?
O9 H9A 0.9009 . ?
O9 H9B 0.9011 . ?
C1 C2 1.522(11) . ?
C2 C3 1.376(11) . ?
C2 C7 1.396(11) . ?
C3 H3 0.9300 . ?
C3 C4 1.397(11) . ?
C4 H4 0.9300 . ?
C4 C5 1.389(11) . ?
C5 C6 1.401(11) . ?
C5 C8 1.478(11) . ?
C6 H6 0.9300 . ?
C6 C7 1.378(11) . ?
C7 H7 0.9300 . ?
C9 C10 1.508(13) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.487(13) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 N1 1.523(13) . ?
N1 C13 1.338(13) . ?
N1 C17 1.331(12) . ?
C13 H13 0.9300 . ?
C13 C14 1.394(15) . ?
C14 H14 0.9300 . ?
C14 C15 1.390(13) . ?
C15 C16 1.398(12) . ?
C15 C18 1.501(13) . ?
C16 H16 0.9300 . ?
C16 C17 1.344(14) . ?
C17 H17 0.9300 . ?
C18 C19 1.391(12) . ?
C18 C23 1.397(13) . ?
C19 H19 0.9300 . ?
C19 C20 1.367(13) . ?
C20 H20 0.9300 . ?
C20 N2 1.336(11) . ?
N2 C22 1.341(11) . ?
N2 C24 1.504(13) . ?
C22 H22 0.9300 . ?
C22 C23 1.350(14) . ?
C23 H23 0.9300 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 C25 1.502(15) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C25 C26 1.489(14) . ?
O10 H10C 0.8498 . ?
O10 H10D 0.8500 . ?
O11 H11C 0.8500 . ?
O11 H11D 0.8499 . ?
N3 O12 1.143(11) . ?
N3 O13 1.133(11) . ?
N3 O14 1.158(11) . ?
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 C1 O2 -0.6(15) . . . . ?
Eu1 O1 C1 C2 179.2(5) . . . . ?
Eu1 O3 C8 O4 -9.4(9) 3_645 . . . ?
Eu1 O3 C8 C5 169.1(8) 3_645 . . . ?
Eu1 O4 C8 O3 10.0(10) 3_645 . . . ?
Eu1 O4 C8 C5 -168.6(7) 3_645 . . . ?
Eu1 O5 C9 Eu1 -149.9(11) . . . 5_666 ?
Eu1 O5 C9 O6 -11.8(8) 5_666 . . . ?
Eu1 O5 C9 O6 -161.7(7) . . . . ?
Eu1 O5 C9 C10 168.4(7) 5_666 . . . ?
Eu1 O5 C9 C10 18.5(15) . . . . ?
Eu1 O6 C9 O5 12.6(8) 5_666 . . . ?
Eu1 O6 C9 C10 -167.6(7) 5_666 . . . ?
Eu1 O7 C26 O8 -11.6(8) 7_566 . . . ?
Eu1 O7 C26 C25 169.6(8) 7_566 . . . ?
Eu1 O8 C26 O7 12.0(8) 7_566 . . . ?
Eu1 O8 C26 C25 -169.2(7) 7_566 . . . ?
Eu1 C9 C10 C11 -62(3) 5_666 . . . ?
O1 C1 C2 C3 -29.1(12) . . . . ?
O1 C1 C2 C7 151.0(9) . . . . ?
O2 C1 C2 C3 150.8(9) . . . . ?
O2 C1 C2 C7 -29.2(13) . . . . ?
O5 C9 C10 C11 -160.0(8) . . . . ?
O6 C9 C10 C11 20.2(13) . . . . ?
C1 C2 C3 C4 178.5(8) . . . . ?
C1 C2 C7 C6 -176.2(8) . . . . ?
C2 C3 C4 C5 -1.4(13) . . . . ?
C3 C2 C7 C6 3.9(14) . . . . ?
C3 C4 C5 C6 2.0(14) . . . . ?
C3 C4 C5 C8 -176.8(8) . . . . ?
C4 C5 C6 C7 0.3(14) . . . . ?
C4 C5 C8 Eu1 109(3) . . . 3_645 ?
C4 C5 C8 O3 -1.2(14) . . . . ?
C4 C5 C8 O4 177.3(9) . . . . ?
C5 C6 C7 C2 -3.3(14) . . . . ?
C6 C5 C8 Eu1 -69(3) . . . 3_645 ?
C6 C5 C8 O3 179.9(8) . . . . ?
C6 C5 C8 O4 -1.6(13) . . . . ?
C7 C2 C3 C4 -1.6(13) . . . . ?
C8 C5 C6 C7 179.2(8) . . . . ?
C9 C10 C11 N1 69.4(11) . . . . ?
C10 C11 N1 C13 41.9(14) . . . . ?
C10 C11 N1 C17 -144.3(10) . . . . ?
C11 N1 C13 C14 170.0(10) . . . . ?
C11 N1 C17 C16 -172.5(10) . . . . ?
N1 C13 C14 C15 1.4(19) . . . . ?
C13 N1 C17 C16 1.4(17) . . . . ?
C13 C14 C15 C16 3.3(17) . . . . ?
C13 C14 C15 C18 -173.4(10) . . . . ?
C14 C15 C16 C17 -5.6(16) . . . . ?
C14 C15 C18 C19 17.7(15) . . . . ?
C14 C15 C18 C23 -166.3(11) . . . . ?
C15 C16 C17 N1 3.4(17) . . . . ?
C15 C18 C19 C20 173.2(9) . . . . ?
C15 C18 C23 C22 -171.1(10) . . . . ?
C16 C15 C18 C19 -158.9(10) . . . . ?
C16 C15 C18 C23 17.1(15) . . . . ?
C17 N1 C13 C14 -3.8(18) . . . . ?
C18 C15 C16 C17 171.1(9) . . . . ?
C18 C19 C20 N2 -2.5(16) . . . . ?
C19 C18 C23 C22 5.1(16) . . . . ?
C19 C20 N2 C22 6.1(16) . . . . ?
C19 C20 N2 C24 -170.9(9) . . . . ?
C20 N2 C22 C23 -4.0(16) . . . . ?
C20 N2 C24 C25 -71.1(12) . . . . ?
N2 C22 C23 C18 -1.7(17) . . . . ?
N2 C24 C25 C26 -62.6(11) . . . . ?
C22 N2 C24 C25 111.9(10) . . . . ?
C23 C18 C19 C20 -3.0(14) . . . . ?
C24 N2 C22 C23 173.0(10) . . . . ?
C24 C25 C26 O7 -6.2(13) . . . . ?
C24 C25 C26 O8 175.0(8) . . . . ?
