#------------------------------------------------------------------------------
#$Date: 2022-06-02 00:42:51 +0200 (Thu 02 de Jun de 2022) $
#$Revision: 275725 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/50/7245018.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_7245018
loop_
_publ_author_name
'Feng, Xun'
'Shang, Yapei'
'Zhang, Ka'
'Hong, Manzhou'
'Li, Junfeng'
'Xu, Hongdi'
'Wang, Liya'
'Li, Zhongjun'
_publ_section_title
;
   In situ ligand-induced Ln-MOFs based on a chromophore moiety:
 white light emission and turn-on detection of trace antibiotics
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE00613H
_journal_year                    2022
_chemical_formula_moiety         'C34 H25 Eu2 N3 O19'
_chemical_formula_sum            'C34 H25 Eu2 N3 O19'
_chemical_formula_weight         1083.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2021-10-16
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6405)
;
_audit_update_record
;
2021-10-21 deposited with the CCDC.	2022-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.037(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.5969(12)
_cell_length_b                   31.6237(15)
_cell_length_c                   18.0245(15)
_cell_measurement_reflns_used    3377
_cell_measurement_temperature    291.07(10)
_cell_measurement_theta_max      21.5940
_cell_measurement_theta_min      3.5230
_cell_volume                     9590.1(12)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      291.07(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0584
_diffrn_detector_type            EosS2
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -78.00 -41.00   1.00   22.08    --  -13.80 178.00 -30.00   37
  2  ω    -86.00 -42.00   1.00   22.08    --  -13.80 178.00-120.00   44
  3  ω    -16.00  20.00   1.00   22.08    --  -13.80 -99.00  60.00   36
  4  ω     -1.00  68.00   1.00   22.08    --   14.74  19.00 -60.00   69
  5  ω      8.00  44.00   1.00   22.08    --   14.74  57.00-120.00   36
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset/far, EosS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0005708000
_diffrn_orient_matrix_UB_12      -0.0028836000
_diffrn_orient_matrix_UB_13      0.0388572000
_diffrn_orient_matrix_UB_21      0.0117842000
_diffrn_orient_matrix_UB_22      0.0213486000
_diffrn_orient_matrix_UB_23      0.0083856000
_diffrn_orient_matrix_UB_31      -0.0404666000
_diffrn_orient_matrix_UB_32      0.0062589000
_diffrn_orient_matrix_UB_33      -0.0106641000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1112
_diffrn_reflns_av_unetI/netI     0.1907
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20658
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         3.441
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.660
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.81098
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_description       block
_exptl_crystal_F_000             4224
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.136
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.330
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         8434
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.330
_refine_ls_R_factor_all          0.1698
_refine_ls_R_factor_gt           0.0938
_refine_ls_shift/su_max          0.394
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0700P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2230
_refine_ls_wR_factor_ref         0.2420
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4794
_reflns_number_total             8434
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce00613h2.cif
_cod_data_source_block           l71-eu
_cod_database_code               7245018
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         C1H1O1N1Eu1
_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   0.741
_shelx_estimated_absorpt_t_min   0.691
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 C10-C13 = C13-C18 = C18-C17 = C17-C11 = C11-N3 = N3-C10
 1.38 with sigma of 0.02
3.a Rotating group:
 O1W(H1WA,H1WB), O2W(H2WA,H2WB), O3W(H3WA,H3WB), O4W(H4WA,H4WB), O5W(H5WA,H5WB)
3.b Aromatic/amide H refined with riding coordinates:
 N3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C14(H14), C15(H15), C16(H16), C17(H17), C25(H25), C26(H26), C27(H27)
;
_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 1.371
_oxdiff_exptl_absorpt_empirical_full_min 0.756
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.94746(5) 0.12670(3) 0.58774(5) 0.0189(3) Uani 1 1 d . . . . .
Eu2 Eu 0.71270(5) 0.39219(3) 0.62643(5) 0.0253(3) Uani 1 1 d . . . . .
O1W O 0.8262(13) 0.4425(9) 0.6833(18) 0.186(15) Uani 1 1 d . . . . .
H1WA H 0.832628 0.474924 0.734175 0.279 Uiso 1 1 d R U . . .
H1WB H 0.898718 0.445383 0.671686 0.279 Uiso 1 1 d R U . . .
O1 O 0.8100(7) 0.1132(4) 0.5172(6) 0.029(3) Uani 1 1 d . . . . .
O2 O 0.7194(7) 0.0974(4) 0.5760(8) 0.045(4) Uani 1 1 d . . . . .
O2W O 0.7982(8) 0.3620(7) 0.7435(9) 0.092(7) Uani 1 1 d . . . . .
H2WA H 0.838214 0.376664 0.786122 0.138 Uiso 1 1 d R U . . .
H2WB H 0.801605 0.332024 0.760322 0.138 Uiso 1 1 d R U . . .
O3 O 0.6671(7) 0.1265(4) 0.3990(8) 0.038(3) Uani 1 1 d . . . . .
O3W O 1.0226(8) 0.1890(4) 0.6468(9) 0.048(4) Uani 1 1 d . . . . .
H3WA H 1.036286 0.186476 0.696590 0.072 Uiso 1 1 d R U . . .
H3WB H 1.067324 0.189901 0.636213 0.072 Uiso 1 1 d R U . . .
O4W O 1.0650(8) 0.1092(4) 0.6950(8) 0.050(4) Uani 1 1 d . . . . .
H4WA H 1.084854 0.131869 0.719379 0.076 Uiso 1 1 d R U . . .
H4WB H 1.051362 0.094479 0.729241 0.076 Uiso 1 1 d R U . . .
O4 O 0.5527(8) 0.1593(5) 0.3862(11) 0.084(6) Uani 1 1 d . . . . .
O5 O 0.8724(6) 0.1510(4) 0.6675(7) 0.026(3) Uani 1 1 d . . . . .
O6 O 0.8449(9) 0.2039(5) 0.7356(9) 0.070(5) Uani 1 1 d . . . . .
O7 O 0.5941(7) 0.3102(4) 0.4853(7) 0.030(3) Uani 1 1 d . . . . .
O8 O 0.6845(7) 0.3214(4) 0.6014(7) 0.029(3) Uani 1 1 d . . . . .
O9 O 0.5717(6) 0.3961(3) 0.5523(7) 0.021(3) Uani 1 1 d . . . . .
O10 O 0.4513(7) 0.3764(4) 0.4856(7) 0.030(3) Uani 1 1 d . . . . .
O11 O 0.3682(7) 0.3766(4) 0.7787(7) 0.027(3) Uani 1 1 d . . . . .
O12 O 0.3176(8) 0.4395(4) 0.7784(8) 0.043(4) Uani 1 1 d . . . . .
O13 O 0.4766(8) 0.5514(4) 0.5769(8) 0.042(4) Uani 1 1 d . . . . .
O14 O 0.4136(7) 0.5616(4) 0.6604(8) 0.036(4) Uani 1 1 d . . . . .
N1 N 0.6219(16) 0.1859(9) 0.7054(17) 0.077(8) Uani 1 1 d . . . . .
N2 N 0.3711(9) 0.2692(5) 0.6181(9) 0.031(4) Uani 1 1 d . . . . .
N3 N 0.0818(14) 0.2454(8) 0.5613(15) 0.099(9) Uani 1 1 d D . . . .
H3 H 0.036236 0.234523 0.558631 0.119 Uiso 1 1 calc R U . . .
C1 C 0.4061(10) 0.3556(6) 0.6388(10) 0.025(5) Uani 1 1 d . . . . .
C2 C 0.6254(12) 0.1553(7) 0.4189(12) 0.040(6) Uani 1 1 d . . . . .
C3 C 0.4455(11) 0.2833(6) 0.6374(11) 0.032(5) Uani 1 1 d . . . . .
C4 C 0.3256(10) 0.3412(6) 0.6159(11) 0.027(5) Uani 1 1 d . . . . .
H4 H 0.283453 0.360104 0.607400 0.033 Uiso 1 1 calc R U . . .
C5 C 0.6641(10) 0.1839(6) 0.4846(11) 0.026(4) Uani 1 1 d . . . . .
C6 C 0.4425(9) 0.4896(5) 0.6367(10) 0.017(4) Uani 1 1 d . . . . .
C7 C 0.5866(11) 0.2574(6) 0.6955(11) 0.029(5) Uani 1 1 d . . . . .
H7 H 0.604007 0.285045 0.706793 0.034 Uiso 1 1 calc R U . . .
C8 C 0.4644(11) 0.3260(6) 0.6484(10) 0.026(5) Uani 1 1 d . . . . .
H8 H 0.517391 0.334342 0.662560 0.031 Uiso 1 1 calc R U . . .
C9 C 0.6358(9) 0.2242(6) 0.4873(10) 0.022(4) Uani 1 1 d . . . . .
H9 H 0.591012 0.232843 0.448391 0.027 Uiso 1 1 calc R U . . .
C10 C 0.0922(19) 0.2884(9) 0.565(3) 0.19(2) Uani 1 1 d D . . . .
H10 H 0.048624 0.306217 0.558131 0.225 Uiso 1 1 calc R U . . .
C11 C 0.1460(15) 0.2197(9) 0.5620(18) 0.102(11) Uani 1 1 d D . . . .
H11 H 0.139873 0.190979 0.550677 0.122 Uiso 1 1 calc R U . . .
O5W O 0.6956(15) 0.4622(5) 0.5697(11) 0.125(10) Uani 1 1 d . . . . .
H5WA H 0.732662 0.479880 0.531025 0.188 Uiso 1 1 d R U . . .
H5WB H 0.647301 0.489539 0.571704 0.188 Uiso 1 1 d R U . . .
C13 C 0.1677(15) 0.3052(8) 0.579(2) 0.107(14) Uani 1 1 d D . . . .
H13 H 0.173811 0.334438 0.583796 0.128 Uiso 1 1 calc R U . . .
C14 C 0.547(3) 0.1801(10) 0.663(2) 0.113(13) Uani 1 1 d . . . . .
H14 H 0.531501 0.152610 0.647111 0.136 Uiso 1 1 calc R U . . .
C15 C 0.4913(15) 0.2100(8) 0.6402(18) 0.075(9) Uani 1 1 d . . . . .
H15 H 0.439287 0.202902 0.612953 0.090 Uiso 1 1 calc R U . . .
C16 C 0.6398(15) 0.2239(11) 0.7191(15) 0.065(8) Uani 1 1 d . . . . .
H16 H 0.691938 0.230360 0.746801 0.078 Uiso 1 1 calc R U . . .
C17 C 0.2183(12) 0.2388(8) 0.5800(15) 0.073(9) Uani 1 1 d D . . . .
H17 H 0.262231 0.221129 0.588239 0.088 Uiso 1 1 calc R U . . .
C18 C 0.2331(12) 0.2811(7) 0.5872(14) 0.049(6) Uani 1 1 d D . . . .
C19 C 0.3120(10) 0.2967(6) 0.6065(12) 0.033(5) Uani 1 1 d . . . . .
C20 C 0.5115(13) 0.2498(6) 0.6572(13) 0.039(6) Uani 1 1 d . . . . .
C21 C 0.4232(9) 0.4019(6) 0.6445(9) 0.017(4) Uani 1 1 d . . . . .
C22 C 0.3943(9) 0.4290(5) 0.6926(10) 0.017(4) Uani 1 1 d . . . . .
C23 C 0.7656(10) 0.1965(6) 0.6074(10) 0.022(4) Uani 1 1 d . . . . .
C24 C 0.7301(9) 0.1691(5) 0.5451(10) 0.019(4) Uani 1 1 d . . . . .
C25 C 0.7394(10) 0.2376(5) 0.6074(10) 0.020(4) Uani 1 1 d . . . . .
H25 H 0.765395 0.255893 0.647152 0.024 Uiso 1 1 calc R U . . .
C26 C 0.4033(9) 0.4721(5) 0.6875(9) 0.020(4) Uani 1 1 d . . . . .
H26 H 0.383130 0.489927 0.718182 0.024 Uiso 1 1 calc R U . . .
C27 C 0.4741(10) 0.4634(5) 0.5961(10) 0.020(4) Uani 1 1 d . . . . .
H27 H 0.502179 0.474831 0.564489 0.024 Uiso 1 1 calc R U . . .
C28 C 0.4447(11) 0.5373(6) 0.6238(11) 0.030(5) Uani 1 1 d . . . . .
C29 C 0.6483(11) 0.2972(6) 0.5420(12) 0.029(5) Uani 1 1 d . . . . .
C30 C 0.8313(12) 0.1832(7) 0.6748(11) 0.037(5) Uani 1 1 d . . . . .
C31 C 0.4671(9) 0.4197(6) 0.5986(9) 0.018(4) Uani 1 1 d . . . . .
C32 C 0.7535(10) 0.1226(5) 0.5472(9) 0.019(4) Uani 1 1 d . . . . .
C33 C 0.6716(9) 0.2525(6) 0.5460(9) 0.020(4) Uani 1 1 d . . . . .
C34 C 0.3570(10) 0.4138(6) 0.7537(9) 0.021(4) Uani 1 1 d . . . . .
C35 C 0.4979(10) 0.3941(6) 0.5424(11) 0.024(4) 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'
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 Eu2 34.3(2) . 7_656 ?
O1 Eu1 O3W 134.7(4) . . ?
O1 Eu1 O4W 149.3(4) . . ?
O1 Eu1 O9 66.9(3) . 7_656 ?
O1 Eu1 O10 118.1(4) . 7_656 ?
O1 Eu1 O13 89.3(4) . 3_545 ?
O1 Eu1 O14 77.5(4) . 3_545 ?
O1 Eu1 C28 82.3(5) . 3_545 ?
O1 Eu1 C35 93.0(5) . 7_656 ?
O3W Eu1 Eu2 131.6(3) . 7_656 ?
O3W Eu1 O4W 67.2(5) . . ?
O3W Eu1 O9 123.9(4) . 7_656 ?
O3W Eu1 O10 83.3(5) . 7_656 ?
O3W Eu1 O13 136.0(5) . 3_545 ?
O3W Eu1 O14 126.5(5) . 3_545 ?
O3W Eu1 C28 137.0(5) . 3_545 ?
O3W Eu1 C35 105.9(5) . 7_656 ?
O4W Eu1 Eu2 154.1(3) . 7_656 ?
O4W Eu1 O9 123.7(4) . 7_656 ?
O4W Eu1 O10 80.9(4) . 7_656 ?
O4W Eu1 O13 72.3(5) . 3_545 ?
O4W Eu1 O14 71.8(4) . 3_545 ?
O4W Eu1 C28 70.6(5) . 3_545 ?
O4W Eu1 C35 100.8(5) . 7_656 ?
O5 Eu1 Eu2 105.6(3) . 7_656 ?
O5 Eu1 O1 74.0(4) . . ?
O5 Eu1 O3W 78.4(5) . . ?
O5 Eu1 O4W 95.0(4) . . ?
O5 Eu1 O7 85.9(4) . 7_656 ?
O5 Eu1 O9 139.7(4) . 7_656 ?
O5 Eu1 O10 161.4(4) . 7_656 ?
O5 Eu1 O13 122.3(4) . 3_545 ?
O5 Eu1 O14 72.4(4) . 3_545 ?
O5 Eu1 C28 97.6(4) . 3_545 ?
O5 Eu1 C35 164.1(4) . 7_656 ?
O7 Eu1 Eu2 65.6(3) 7_656 7_656 ?
O7 Eu1 O1 76.0(4) 7_656 . ?
O7 Eu1 O3W 66.7(4) 7_656 . ?
O7 Eu1 O4W 132.7(4) 7_656 . ?
O7 Eu1 O9 76.1(4) 7_656 7_656 ?
O7 Eu1 O10 83.8(4) 7_656 7_656 ?
O7 Eu1 O13 143.6(4) 7_656 3_545 ?
O7 Eu1 O14 149.5(4) 7_656 3_545 ?
O7 Eu1 C28 156.3(5) 7_656 3_545 ?
O7 Eu1 C35 82.1(4) 7_656 7_656 ?
O9 Eu1 Eu2 34.1(2) 7_656 7_656 ?
O9 Eu1 O14 106.9(4) 7_656 3_545 ?
O9 Eu1 C28 86.6(4) 7_656 3_545 ?
O9 Eu1 C35 26.1(4) 7_656 7_656 ?
O10 Eu1 Eu2 84.1(3) 7_656 7_656 ?
O10 Eu1 O9 51.5(4) 7_656 7_656 ?
O10 Eu1 O14 122.4(4) 7_656 3_545 ?
O10 Eu1 C28 98.1(4) 7_656 3_545 ?
O10 Eu1 C35 25.7(4) 7_656 7_656 ?
O13 Eu1 Eu2 83.4(3) 3_545 7_656 ?
O13 Eu1 O9 67.5(4) 3_545 7_656 ?
O13 Eu1 O10 73.9(4) 3_545 7_656 ?
O13 Eu1 O14 50.0(4) 3_545 3_545 ?
O13 Eu1 C28 24.7(4) 3_545 3_545 ?
O13 Eu1 C35 65.4(4) 3_545 7_656 ?
O14 Eu1 Eu2 99.4(3) 3_545 7_656 ?
O14 Eu1 C28 25.3(4) 3_545 3_545 ?
O14 Eu1 C35 114.4(4) 3_545 7_656 ?
C28 Eu1 Eu2 91.0(4) 3_545 7_656 ?
C35 Eu1 Eu2 59.9(4) 7_656 7_656 ?
C35 Eu1 C28 89.5(5) 7_656 3_545 ?
O1W Eu2 Eu1 135.8(8) . 7_656 ?
O1W Eu2 O11 112.2(6) . 2_656 ?
O1W Eu2 C34 90.4(6) . 2_656 ?
O1 Eu2 Eu1 32.9(3) 7_656 7_656 ?
O1 Eu2 O1W 109.3(7) 7_656 . ?
O1 Eu2 O11 136.2(4) 7_656 2_656 ?
O1 Eu2 C34 145.3(4) 7_656 2_656 ?
O2W Eu2 Eu1 148.2(5) . 7_656 ?
O2W Eu2 O1W 71.1(10) . . ?
O2W Eu2 O1 138.6(5) . 7_656 ?
O2W Eu2 O9 140.5(5) . . ?
O2W Eu2 O11 70.5(4) . 2_656 ?
O2W Eu2 O12 80.6(6) . 2_656 ?
O2W Eu2 O5W 134.7(8) . . ?
O2W Eu2 C34 74.2(5) . 2_656 ?
O3 Eu2 Eu1 100.8(3) 7_656 7_656 ?
O3 Eu2 O1W 65.8(6) 7_656 . ?
O3 Eu2 O1 70.4(4) 7_656 7_656 ?
O3 Eu2 O2W 72.9(5) 7_656 . ?
O3 Eu2 O9 136.5(4) 7_656 . ?
O3 Eu2 O11 141.3(4) 7_656 2_656 ?
O3 Eu2 O12 132.7(4) 7_656 2_656 ?
O3 Eu2 O5W 98.9(6) 7_656 . ?
O3 Eu2 C34 144.2(5) 7_656 2_656 ?
O8 Eu2 Eu1 68.0(3) . 7_656 ?
O8 Eu2 O1W 142.2(7) . . ?
O8 Eu2 O1 76.8(4) . 7_656 ?
O8 Eu2 O2W 80.2(6) . . ?
O8 Eu2 O3 82.7(4) . 7_656 ?
O8 Eu2 O9 79.5(4) . . ?
O8 Eu2 O11 79.3(4) . 2_656 ?
O8 Eu2 O12 130.6(4) . 2_656 ?
O8 Eu2 O5W 144.2(6) . . ?
O8 Eu2 C34 105.3(5) . 2_656 ?
O9 Eu2 Eu1 35.7(2) . 7_656 ?
O9 Eu2 O1W 138.0(8) . . ?
O9 Eu2 O1 67.1(4) . 7_656 ?
O9 Eu2 O11 72.8(4) . 2_656 ?
O9 Eu2 C34 79.1(4) . 2_656 ?
O11 Eu2 Eu1 103.7(3) 2_656 7_656 ?
O11 Eu2 C34 26.0(4) 2_656 2_656 ?
O12 Eu2 Eu1 121.2(3) 2_656 7_656 ?
O12 Eu2 O1W 68.8(5) 2_656 . ?
O12 Eu2 O1 139.8(4) 2_656 7_656 ?
O12 Eu2 O9 87.6(4) 2_656 . ?
O12 Eu2 O11 51.4(4) 2_656 2_656 ?
O12 Eu2 C34 25.4(4) 2_656 2_656 ?
O5W Eu2 Eu1 76.7(5) . 7_656 ?
O5W Eu2 O1W 65.2(10) . . ?
O5W Eu2 O1 70.4(5) . 7_656 ?
O5W Eu2 O9 75.1(7) . . ?
O5W Eu2 O11 115.6(5) . 2_656 ?
O5W Eu2 O12 73.2(5) . 2_656 ?
O5W Eu2 C34 94.2(5) . 2_656 ?
C34 Eu2 Eu1 114.6(3) 2_656 7_656 ?
Eu2 O1W H1WA 130.5 . . ?
Eu2 O1W H1WB 130.4 . . ?
H1WA O1W H1WB 99.1 . . ?
Eu1 O1 Eu2 112.8(4) . 7_656 ?
C32 O1 Eu1 120.7(10) . . ?
C32 O1 Eu2 122.5(10) . 7_656 ?
Eu2 O2W H2WA 128.0 . . ?
Eu2 O2W H2WB 127.9 . . ?
H2WA O2W H2WB 104.1 . . ?
C2 O3 Eu2 147.9(13) . 7_656 ?
Eu1 O3W H3WA 109.3 . . ?
Eu1 O3W H3WB 110.2 . . ?
H3WA O3W H3WB 103.9 . . ?
Eu1 O4W H4WA 109.8 . . ?
Eu1 O4W H4WB 109.9 . . ?
H4WA O4W H4WB 104.0 . . ?
C30 O5 Eu1 139.5(11) . . ?
C29 O7 Eu1 140.1(13) . 7_656 ?
C29 O8 Eu2 138.3(12) . . ?
Eu2 O9 Eu1 110.2(4) . 7_656 ?
C35 O9 Eu1 90.8(10) . 7_656 ?
C35 O9 Eu2 155.6(11) . . ?
C35 O10 Eu1 93.0(9) . 7_656 ?
C34 O11 Eu2 90.0(9) . 2_656 ?
C34 O12 Eu2 96.3(11) . 2_656 ?
C28 O13 Eu1 98.7(11) . 3_455 ?
C28 O14 Eu1 91.2(11) . 3_455 ?
C16 N1 C14 113(3) . . ?
C19 N2 C3 119.3(16) . . ?
C10 N3 H3 120.6 . . ?
C10 N3 C11 119(2) . . ?
C11 N3 H3 120.6 . . ?
C4 C1 C21 119.8(15) . . ?
C8 C1 C4 117.6(18) . . ?
C8 C1 C21 122.5(15) . . ?
O3 C2 C5 119.2(18) . . ?
O4 C2 O3 122(2) . . ?
O4 C2 C5 118.8(18) . . ?
N2 C3 C8 122.6(18) . . ?
N2 C3 C20 116.8(18) . . ?
C8 C3 C20 120.2(18) . . ?
C1 C4 H4 121.1 . . ?
C19 C4 C1 117.8(16) . . ?
C19 C4 H4 121.1 . . ?
C9 C5 C2 120.4(17) . . ?
C9 C5 C24 120.0(17) . . ?
C24 C5 C2 119.6(17) . . ?
C26 C6 C28 121.7(14) . . ?
C27 C6 C26 118.2(16) . . ?
C27 C6 C28 119.9(14) . . ?
C16 C7 H7 119.9 . . ?
C20 C7 H7 119.9 . . ?
C20 C7 C16 120(2) . . ?
C1 C8 C3 120.6(18) . . ?
C1 C8 H8 119.7 . . ?
C3 C8 H8 119.7 . . ?
C5 C9 H9 118.7 . . ?
C5 C9 C33 122.5(17) . . ?
C33 C9 H9 118.7 . . ?
N3 C10 H10 120.1 . . ?
N3 C10 C13 120(3) . . ?
C13 C10 H10 120.1 . . ?
N3 C11 H11 121.8 . . ?
C17 C11 N3 116(2) . . ?
C17 C11 H11 121.8 . . ?
Eu2 O5W H5WA 129.7 . . ?
Eu2 O5W H5WB 129.6 . . ?
H5WA O5W H5WB 100.7 . . ?
C10 C13 H13 118.6 . . ?
C18 C13 C10 123(2) . . ?
C18 C13 H13 118.6 . . ?
N1 C14 H14 116.8 . . ?
C15 C14 N1 126(3) . . ?
C15 C14 H14 116.8 . . ?
C14 C15 H15 120.6 . . ?
C20 C15 C14 119(3) . . ?
C20 C15 H15 120.6 . . ?
N1 C16 C7 124(3) . . ?
N1 C16 H16 117.9 . . ?
C7 C16 H16 117.9 . . ?
C11 C17 H17 116.6 . . ?
C11 C17 C18 127(2) . . ?
C18 C17 H17 116.6 . . ?
C13 C18 C17 114(2) . . ?
C13 C18 C19 125(2) . . ?
C17 C18 C19 121(2) . . ?
N2 C19 C4 122.1(16) . . ?
N2 C19 C18 118.5(18) . . ?
C18 C19 C4 119.4(17) . . ?
C7 C20 C3 124.8(19) . . ?
C15 C20 C3 118(2) . . ?
C15 C20 C7 117(2) . . ?
C22 C21 C1 122.3(13) . . ?
C31 C21 C1 119.2(14) . . ?
C31 C21 C22 118.4(16) . . ?
C21 C22 C34 124.3(15) . . ?
C26 C22 C21 119.2(14) . . ?
C26 C22 C34 116.4(14) . . ?
C24 C23 C30 122.6(17) . . ?
C25 C23 C24 120.6(16) . . ?
C25 C23 C30 116.8(17) . . ?
C5 C24 C32 119.4(16) . . ?
C23 C24 C5 118.8(16) . . ?
C23 C24 C32 121.2(16) . . ?
C23 C25 H25 119.8 . . ?
C23 C25 C33 120.5(16) . . ?
C33 C25 H25 119.8 . . ?
C6 C26 H26 119.3 . . ?
C22 C26 C6 121.3(15) . . ?
C22 C26 H26 119.3 . . ?
C6 C27 H27 118.4 . . ?
C6 C27 C31 123.2(14) . . ?
C31 C27 H27 118.4 . . ?
O13 C28 Eu1 56.6(9) . 3_455 ?
O13 C28 O14 120.1(18) . . ?
O13 C28 C6 120.1(16) . . ?
O14 C28 Eu1 63.5(10) . 3_455 ?
O14 C28 C6 119.8(15) . . ?
C6 C28 Eu1 176.0(12) . 3_455 ?
O7 C29 O8 123.0(18) . . ?
O7 C29 C33 119.7(19) . . ?
O8 C29 C33 117.2(17) . . ?
O5 C30 C23 118.3(17) . . ?
O6 C30 O5 122.9(19) . . ?
O6 C30 C23 118.8(19) . . ?
C21 C31 C35 122.9(16) . . ?
C27 C31 C21 119.2(14) . . ?
C27 C31 C35 117.2(13) . . ?
O1 C32 C24 116.4(14) . . ?
O2 C32 O1 124.6(16) . . ?
O2 C32 C24 119.0(15) . . ?
C9 C33 C25 117.5(16) . . ?
C9 C33 C29 121.7(16) . . ?
C25 C33 C29 120.4(17) . . ?
O11 C34 Eu2 64.0(8) . 2_656 ?
O11 C34 C22 120.2(14) . . ?
O12 C34 Eu2 58.3(8) . 2_656 ?
O12 C34 O11 122.3(15) . . ?
O12 C34 C22 117.5(16) . . ?
C22 C34 Eu2 175.2(13) . 2_656 ?
O9 C35 Eu1 63.0(9) . 7_656 ?
O9 C35 C31 115.8(17) . . ?
O10 C35 Eu1 61.3(9) . 7_656 ?
O10 C35 O9 122.8(16) . . ?
O10 C35 C31 120.9(15) . . ?
C31 C35 Eu1 160.5(12) . 7_656 ?
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 Eu2 4.1021(14) 7_656 ?
Eu1 O1 2.418(12) . ?
Eu1 O3W 2.436(13) . ?
Eu1 O4W 2.445(13) . ?
Eu1 O5 2.348(10) . ?
Eu1 O7 2.384(12) 7_656 ?
Eu1 O9 2.550(11) 7_656 ?
Eu1 O10 2.513(10) 7_656 ?
Eu1 O13 2.455(12) 3_545 ?
Eu1 O14 2.601(12) 3_545 ?
Eu1 C28 2.905(19) 3_545 ?
Eu1 C35 2.862(17) 7_656 ?
Eu2 O1W 2.52(2) . ?
Eu2 O1 2.506(11) 7_656 ?
Eu2 O2W 2.401(16) . ?
Eu2 O3 2.366(12) 7_656 ?
Eu2 O8 2.308(13) . ?
Eu2 O9 2.452(11) . ?
Eu2 O11 2.573(10) 2_656 ?
Eu2 O12 2.450(11) 2_656 ?
Eu2 O5W 2.420(18) . ?
Eu2 C34 2.862(15) 2_656 ?
O1W H1WA 1.3576 . ?
O1W H1WB 1.3551 . ?
O1 C32 1.299(18) . ?
O2 C32 1.204(18) . ?
O2W H2WA 0.9911 . ?
O2W H2WB 0.9929 . ?
O3 C2 1.29(2) . ?
O3W H3WA 0.8619 . ?
O3W H3WB 0.8623 . ?
O4W H4WA 0.8600 . ?
O4W H4WB 0.8604 . ?
O4 C2 1.25(2) . ?
O5 C30 1.28(2) . ?
O6 C30 1.24(2) . ?
O7 C29 1.25(2) . ?
O8 C29 1.32(2) . ?
O9 C35 1.261(18) . ?
O10 C35 1.24(2) . ?
O11 C34 1.255(19) . ?
O12 C34 1.235(19) . ?
O13 C28 1.229(19) . ?
O14 C28 1.24(2) . ?
N1 C14 1.33(4) . ?
N1 C16 1.25(3) . ?
N2 C3 1.33(2) . ?
N2 C19 1.32(2) . ?
N3 H3 0.8600 . ?
N3 C10 1.371(18) . ?
N3 C11 1.390(17) . ?
C1 C4 1.43(2) . ?
C1 C8 1.36(2) . ?
C1 C21 1.49(2) . ?
C2 C5 1.49(3) . ?
C3 C8 1.39(2) . ?
C3 C20 1.53(3) . ?
C4 H4 0.9300 . ?
C4 C19 1.43(2) . ?
C5 C9 1.37(2) . ?
C5 C24 1.42(2) . ?
C6 C26 1.41(2) . ?
C6 C27 1.33(2) . ?
C6 C28 1.53(2) . ?
C7 H7 0.9300 . ?
C7 C16 1.39(3) . ?
C7 C20 1.32(3) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C9 C33 1.39(2) . ?
C10 H10 0.9300 . ?
C10 C13 1.384(19) . ?
C11 H11 0.9300 . ?
C11 C17 1.358(17) . ?
O5W H5WA 1.2209 . ?
O5W H5WB 1.2202 . ?
C13 H13 0.9300 . ?
C13 C18 1.354(17) . ?
C14 H14 0.9300 . ?
C14 C15 1.33(4) . ?
C15 H15 0.9300 . ?
C15 C20 1.32(3) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C17 C18 1.361(17) . ?
C18 C19 1.42(2) . ?
C21 C22 1.42(2) . ?
C21 C31 1.41(2) . ?
C22 C26 1.38(2) . ?
C22 C34 1.51(2) . ?
C23 C24 1.41(2) . ?
C23 C25 1.38(2) . ?
C23 C30 1.47(3) . ?
C24 C32 1.52(2) . ?
C25 H25 0.9300 . ?
C25 C33 1.45(2) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C27 C31 1.39(2) . ?
C29 C33 1.47(2) . ?
C31 C35 1.52(2) . ?
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 C32 O2 -102.2(19) . . . . ?
Eu1 O1 C32 C24 77.9(16) . . . . ?
Eu1 O5 C30 O6 -123.9(19) . . . . ?
Eu1 O5 C30 C23 55(3) . . . . ?
Eu1 O7 C29 O8 32(3) 7_656 . . . ?
Eu1 O7 C29 C33 -151.4(13) 7_656 . . . ?
Eu1 O9 C35 O10 13.9(18) 7_656 . . . ?
Eu1 O9 C35 C31 -158.3(13) 7_656 . . . ?
Eu1 O10 C35 O9 -14.1(18) 7_656 . . . ?
Eu1 O10 C35 C31 157.7(14) 7_656 . . . ?
Eu1 O13 C28 O14 -2(2) 3_455 . . . ?
Eu1 O13 C28 C6 177.2(14) 3_455 . . . ?
Eu1 O14 C28 O13 2(2) 3_455 . . . ?
Eu1 O14 C28 C6 -177.3(15) 3_455 . . . ?
Eu2 O1 C32 O2 102.0(18) 7_656 . . . ?
Eu2 O1 C32 C24 -77.9(17) 7_656 . . . ?
Eu2 O3 C2 O4 138(2) 7_656 . . . ?
Eu2 O3 C2 C5 -44(3) 7_656 . . . ?
Eu2 O8 C29 O7 -27(2) . . . . ?
Eu2 O8 C29 C33 156.4(11) . . . . ?
Eu2 O9 C35 Eu1 -150(3) . . . 7_656 ?
Eu2 O9 C35 O10 -136(2) . . . . ?
Eu2 O9 C35 C31 51(3) . . . . ?
Eu2 O11 C34 O12 -0.9(18) 2_656 . . . ?
Eu2 O11 C34 C22 177.4(15) 2_656 . . . ?
Eu2 O12 C34 O11 0.9(19) 2_656 . . . ?
Eu2 O12 C34 C22 -177.4(13) 2_656 . . . ?
O3 C2 C5 C9 151.6(17) . . . . ?
O3 C2 C5 C24 -29(3) . . . . ?
O4 C2 C5 C9 -30(3) . . . . ?
O4 C2 C5 C24 149(2) . . . . ?
O7 C29 C33 C9 1(2) . . . . ?
O7 C29 C33 C25 174.0(14) . . . . ?
O8 C29 C33 C9 178.5(14) . . . . ?
O8 C29 C33 C25 -9(2) . . . . ?
N1 C14 C15 C20 4(5) . . . . ?
N2 C3 C8 C1 -1(3) . . . . ?
N2 C3 C20 C7 -162.2(19) . . . . ?
N2 C3 C20 C15 12(3) . . . . ?
N3 C10 C13 C18 3(7) . . . . ?
N3 C11 C17 C18 -10(4) . . . . ?
C1 C4 C19 N2 0(3) . . . . ?
C1 C4 C19 C18 177.3(18) . . . . ?
C1 C21 C22 C26 -171.5(15) . . . . ?
C1 C21 C22 C34 12(3) . . . . ?
C1 C21 C31 C27 171.5(16) . . . . ?
C1 C21 C31 C35 0(2) . . . . ?
C2 C5 C9 C33 -177.7(16) . . . . ?
C2 C5 C24 C23 -179.3(15) . . . . ?
C2 C5 C24 C32 -8(2) . . . . ?
C3 N2 C19 C4 -2(3) . . . . ?
C3 N2 C19 C18 -179.0(19) . . . . ?
C4 C1 C8 C3 -1(2) . . . . ?
C4 C1 C21 C22 57(2) . . . . ?
C4 C1 C21 C31 -120.6(17) . . . . ?
C5 C9 C33 C25 -2(2) . . . . ?
C5 C9 C33 C29 170.6(15) . . . . ?
C5 C24 C32 O1 96.6(18) . . . . ?
C5 C24 C32 O2 -83(2) . . . . ?
C6 C27 C31 C21 2(3) . . . . ?
C6 C27 C31 C35 173.1(17) . . . . ?
C8 C1 C4 C19 1(2) . . . . ?
C8 C1 C21 C22 -128.5(18) . . . . ?
C8 C1 C21 C31 54(2) . . . . ?
C8 C3 C20 C7 11(3) . . . . ?
C8 C3 C20 C15 -175(2) . . . . ?
C9 C5 C24 C23 0(2) . . . . ?
C9 C5 C24 C32 171.5(15) . . . . ?
C10 N3 C11 C17 11(5) . . . . ?
C10 C13 C18 C17 0(5) . . . . ?
C10 C13 C18 C19 -176(4) . . . . ?
C11 N3 C10 C13 -8(6) . . . . ?
C11 C17 C18 C13 4(4) . . . . ?
C11 C17 C18 C19 180(3) . . . . ?
C13 C18 C19 N2 175(3) . . . . ?
C13 C18 C19 C4 -3(4) . . . . ?
C14 N1 C16 C7 3(4) . . . . ?
C14 C15 C20 C3 -175(3) . . . . ?
C14 C15 C20 C7 0(4) . . . . ?
C16 N1 C14 C15 -5(5) . . . . ?
C16 C7 C20 C3 171.9(18) . . . . ?
C16 C7 C20 C15 -3(3) . . . . ?
C17 C18 C19 N2 -1(3) . . . . ?
C17 C18 C19 C4 -178(2) . . . . ?
C19 N2 C3 C8 2(3) . . . . ?
C19 N2 C3 C20 174.6(17) . . . . ?
C20 C3 C8 C1 -173.1(16) . . . . ?
C20 C7 C16 N1 1(4) . . . . ?
C21 C1 C4 C19 176.2(15) . . . . ?
C21 C1 C8 C3 -175.6(15) . . . . ?
C21 C22 C26 C6 -2(3) . . . . ?
C21 C22 C34 O11 19(3) . . . . ?
C21 C22 C34 O12 -163.1(17) . . . . ?
C21 C31 C35 Eu1 154(3) . . . 7_656 ?
C21 C31 C35 O9 -124.0(17) . . . . ?
C21 C31 C35 O10 64(2) . . . . ?
C22 C21 C31 C27 -6(2) . . . . ?
C22 C21 C31 C35 -177.2(16) . . . . ?
C23 C24 C32 O1 -92.1(18) . . . . ?
C23 C24 C32 O2 88(2) . . . . ?
C23 C25 C33 C9 -1(2) . . . . ?
C23 C25 C33 C29 -174.2(14) . . . . ?
C24 C5 C9 C33 3(2) . . . . ?
C24 C23 C25 C33 4(2) . . . . ?
C24 C23 C30 O5 20(3) . . . . ?
C24 C23 C30 O6 -160.3(18) . . . . ?
C25 C23 C24 C5 -3(2) . . . . ?
C25 C23 C24 C32 -174.8(14) . . . . ?
C25 C23 C30 O5 -159.6(16) . . . . ?
C25 C23 C30 O6 20(3) . . . . ?
C26 C6 C27 C31 3(3) . . . . ?
C26 C6 C28 O13 -177.1(17) . . . . ?
C26 C6 C28 O14 2(3) . . . . ?
C26 C22 C34 O11 -158.2(16) . . . . ?
C26 C22 C34 O12 20(2) . . . . ?
C27 C6 C26 C22 -3(3) . . . . ?
C27 C6 C28 O13 -1(3) . . . . ?
C27 C6 C28 O14 178.3(17) . . . . ?
C27 C31 C35 Eu1 -17(5) . . . 7_656 ?
C27 C31 C35 O9 65(2) . . . . ?
C27 C31 C35 O10 -107(2) . . . . ?
C28 C6 C26 C22 173.0(16) . . . . ?
C28 C6 C27 C31 -173.0(16) . . . . ?
C30 C23 C24 C5 176.5(15) . . . . ?
C30 C23 C24 C32 5(2) . . . . ?
C30 C23 C25 C33 -175.9(15) . . . . ?
C31 C21 C22 C26 6(2) . . . . ?
C31 C21 C22 C34 -170.5(15) . . . . ?
C34 C22 C26 C6 175.3(15) . . . . ?
