Improving the conjugation of organic ligands enhances the antenna effect and promotes the luminescence and optical imaging of chiral mononuclear Eu(iii) complexes.
Li, Ru-Yan; Tang, Meng-Juan; Li, Yun-Lan; Yang, Fan; Zou, Hua-Hong; Wang, Hai-Ling; Zhu, Zhong-Hong; Chemical science 17 (2026) 4157–4167; doi:10.1039/d5sc09594h

data_1576657
_publ_section_title
;
 Improving the conjugation of organic ligands enhances the antenna effect
 and promotes the luminescence and optical imaging of chiral mononuclear
 Eu(iii) complexes.
;
_journal_issue                   8
_journal_name_full               'Chemical science'
_journal_page_first              4157
_journal_page_last               4167
_journal_paper_doi               10.1039/d5sc09594h
_journal_volume                  17
_journal_year                    2026
_chemical_absolute_configuration unk
_chemical_formula_moiety         '2(C26 H20 Eu N7 O9), [+ solvents]'
_chemical_formula_sum            'C52 H44 Eu2 N14 O18'
_chemical_formula_weight         1456.941
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_Int_Tables_number      1
_atom_sites_solution_primary     dual
_audit_creation_date             2025-09-11
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-10-14 deposited with the CCDC.	2025-12-26 downloaded from the CCDC.
;
_cell_angle_alpha                75.718(3)
_cell_angle_beta                 68.740(3)
_cell_angle_gamma                77.160(2)
_cell_formula_units_Z            1
_cell_length_a                   9.5275(2)
_cell_length_b                   12.6485(3)
_cell_length_c                   12.7241(4)
_cell_measurement_reflns_used    14399
_cell_measurement_temperature    100.00(18)
_cell_measurement_theta_max      76.8670
_cell_measurement_theta_min      3.7830
_cell_volume                     1369.80(7)
_computing_cell_refinement       'CrysAlisPro 1.171.43.115a (Rigaku OD, 2024)'
_computing_data_collection       'CrysAlisPro 1.171.43.115a (Rigaku OD, 2024)'
_computing_data_reduction        'CrysAlisPro 1.171.43.115a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.5 (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.00(18)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.9996
_diffrn_measured_fraction_theta_max 0.9996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w    -36.00  28.00   0.50    1.30    --  -47.12  31.00 177.00  128
  2  \w    -27.00  36.00   0.50    1.30    --   47.12 -31.00  17.00  126
  3  \w     33.00 122.00   0.50    1.30    --   47.12  31.00 177.00  178
  4  \w     33.00 122.00   0.50    1.30    --   47.12  31.00 177.00  178
  5  \w   -166.00 -76.00   0.50    3.00    --  -91.75 -31.00  17.00  180
  6  \w     93.00 178.00   0.50    3.00    --  107.94  31.00 177.00  170
  7  \w   -101.00 -37.00   0.50    1.30    --  -47.12 -31.00  17.00  128
  8  \w   -101.00 -76.00   0.50    1.30    --  -47.12-125.00   0.00   50
  9  \w    -62.00  26.00   0.50    1.30    --  -47.12  57.00-120.00  176
 10  \w   -114.00 -85.00   0.50    1.30    --  -47.12-125.00 -90.00   58
 11  \w   -117.00 -87.00   0.50    1.30    --  -47.12-125.00-180.00   60
 12  \w     35.00  71.00   0.50    1.30    --   47.12-125.00  60.00   72
 13  \w    -50.00 -25.00   0.50    3.00    --  -91.75  45.00 -60.00   50
 14  \w    -90.00 -64.00   0.50    3.00    --  -91.75 125.00-150.00   52
 15  \w   -151.00 -74.00   0.50    3.00    --  -91.75 -15.00 -60.00  154
 16  \w    -62.00 -20.00   0.50    3.00    --  -91.75  77.00 120.00   84
 17  \w    -95.00 -69.00   0.50    3.00    --  -91.75  77.00 120.00   52
 18  \w    -51.00 -19.00   0.50    3.00    --  -91.75  45.00 120.00   64
 19  \w    -55.00 -22.00   0.50    3.00    --  -91.75 125.00-150.00   66
 20  \w    -51.00 -20.00   0.50    3.00    --  -91.75  45.00-180.00   62
 21  \w    -47.00 -21.00   0.50    3.00    --  -91.75  45.00 -30.00   52
 22  \w    -50.00 -21.00   0.50    3.00    --  -91.75  45.00  30.00   58
 23  \w     82.00 112.00   0.50    3.00    --  107.94-125.00 -90.00   60
 24  \w     42.00  75.00   0.50    3.00    --  107.94-125.00 -90.00   66
 25  \w     37.00 102.00   0.50    3.00    --  107.94 -77.00 120.00  130
 26  \w     94.00 170.00   0.50    3.00    --  107.94  45.00  90.00  152
 27  \w     82.00 116.00   0.50    3.00    --  107.94-125.00-180.00   68
 28  \w     42.00  79.00   0.50    3.00    --  107.94-125.00-180.00   74
 29  \w     63.00 116.00   0.50    3.00    --  107.94-125.00 -30.00  106
 30  \w    138.00 175.00   0.50    3.00    --  107.94  30.00-150.00   74
 31  \w     36.00  95.00   0.50    3.00    --  107.94 -94.00  60.00  118
 32  \w     35.00 106.00   0.50    3.00    --  107.94 -94.00 -30.00  142
 33  \w     45.00  93.00   0.50    3.00    --  107.94-125.00-120.00   96
 34  \w     93.00 123.00   0.50    3.00    --  107.94  30.00-150.00   60
 35  \w     36.00 106.00   0.50    3.00    --  107.94 -77.00-120.00  140
 36  \w     40.00  65.00   0.50    3.00    --  107.94 -61.00   0.00   50
 37  \w     45.00 101.00   0.50    3.00    --  107.94 -77.00 -30.00  112
 38  \w     41.00  66.00   0.50    3.00    --  107.94 -61.00-180.00   50
 39  \w     99.00 131.00   0.50    3.00    --  107.94  30.00 -60.00   64
 40  \w     81.00 115.00   0.50    3.00    --  107.94-125.00 120.00   68
 41  \w    145.00 177.00   0.50    3.00    --  107.94  30.00 -60.00   64
 42  \w     97.00 123.00   0.50    3.00    --  107.94-133.00-149.76   52
 43  \w     42.00  68.00   0.50    3.00    --  107.94-125.00 120.00   52
 44  \w    148.00 175.00   0.50    3.00    --  107.94  31.00 177.00   54
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0410746000
_diffrn_orient_matrix_UB_12      -0.0070875000
_diffrn_orient_matrix_UB_13      0.1300798000
_diffrn_orient_matrix_UB_21      -0.1655201000
_diffrn_orient_matrix_UB_22      0.0504241000
_diffrn_orient_matrix_UB_23      0.0079125000
_diffrn_orient_matrix_UB_31      -0.0410458000
_diffrn_orient_matrix_UB_32      -0.1164142000
_diffrn_orient_matrix_UB_33      0.0218765000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0339
_diffrn_reflns_Laue_measured_fraction_full 0.9996
_diffrn_reflns_Laue_measured_fraction_max 0.9996
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17689
_diffrn_reflns_point_group_measured_fraction_full 0.7331
_diffrn_reflns_point_group_measured_fraction_max 0.7331
_diffrn_reflns_theta_full        66.5913
_diffrn_reflns_theta_max         66.59
_diffrn_reflns_theta_min         3.65
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    16.980
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.20934
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.115a (Rigaku Oxford Diffraction, 2024)
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    1.766
_exptl_crystal_description       block
_exptl_crystal_F_000             711.126
_refine_diff_density_max         2.9410
_refine_diff_density_min         -2.3081
_refine_diff_density_rms         0.2023
_refine_ls_abs_structure_details
'Hooft, R.W.W., Straver, L.H., Spek, A.L. (2010). J. Appl. Cryst., 43, 665-668.'
_refine_ls_abs_structure_Flack   -0.001(2)
_refine_ls_d_res_high            0.8401
_refine_ls_d_res_low             12.1244
_refine_ls_goodness_of_fit_ref   1.0388
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    88
_refine_ls_number_parameters     775
_refine_ls_number_reflns         7089
_refine_ls_number_restraints     325
_refine_ls_restrained_S_all      1.0133
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0706
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1713P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1782
_refine_ls_wR_factor_ref         0.1793
_reflns_Friedel_coverage         0.467
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              10
_reflns_limit_k_min              -15
_reflns_limit_l_max              15
_reflns_limit_l_min              -15
_reflns_number_gt                6907
_reflns_number_total             7089
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d5sc09594h2.cif
_cod_data_source_block           LRY-S_auto
_cod_depositor_comments
'Adding full bibliography for 1576656--1576657.cif.'
_cod_original_sg_symbol_Hall     ' P 1'
_cod_database_code               1576657
_chemical_oxdiff_formula         'C H O N  Eu'
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C19-C18 = C16-C15 = C15-C20
 1.37 with sigma of 0.02
 C19-C20
 1.38 with sigma of 0.02
 C18-C17 = C17-C16
 1.36 with sigma of 0.02
 C1-C2 = C4-C5 = C5-N1
 1.37 with sigma of 0.02
 C1-N1
 1.38 with sigma of 0.02
 C2-C3 = C3-C4
 1.36 with sigma of 0.02
 C19-C17 = C17-C15 = C16-C20
 2.37 with sigma of 0.04
 C19-C15
 2.38 with sigma of 0.04
 C18-C16
 2.36 with sigma of 0.04
 C1-C3 = C3-C5 = C4-N1
 2.37 with sigma of 0.04
 C1-C5
 2.38 with sigma of 0.04
 C2-C4
 2.36 with sigma of 0.04
 C19-C18 \\sim C18-C17 \\sim C17-C16 \\sim C16-C15 \\sim C15-C20 \\sim C20-C19
 with sigma of 0.02
 C19-C15 \\sim C19-C17 \\sim C15-C17 \\sim C16-C18 \\sim C16-C20 \\sim C20-C18
 with sigma of 0.04
 C1-C2 \\sim C2-C3 \\sim C3-C4 \\sim C4-C5 \\sim C5-N1 \\sim N1-C1
 with sigma of 0.02
 C1-C5 \\sim C1-C3 \\sim C5-C3 \\sim C4-C2 \\sim C4-N1 \\sim N1-C2
 with sigma of 0.04
3. Restrained planarity
 C19, C18, C17, C16, C15, C20
 with sigma of 0.1
 C1, C2, C3, C4, C5, N1
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
C19 \\sim C18 \\sim C17 \\sim C16 \\sim C15 \\sim C20: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
C1 \\sim C2 \\sim C3 \\sim C4 \\sim C5 \\sim N1: within 2A with sigma of 0.04
and sigma for terminal atoms of 0.08 within 2A
Uanis(N13) \\sim Ueq, Uanis(C9) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(O9)
\\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
: with sigma of 0.02 and sigma for terminal atoms of 0.04
: with sigma of 0.01 and sigma for terminal atoms of 0.02
: with sigma of 0.01 and sigma for terminal atoms of 0.02
: with sigma of 0.05 and sigma for terminal atoms of 0.1
: with sigma of 0.005 and sigma for terminal atoms of 0.01
: with sigma of 0.007 and sigma for terminal atoms of 0.014
Uanis(N13) \\sim Ueq: with sigma of 0.003 and sigma for terminal atoms of 0.006
Uanis(O9) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C9) \\sim Ueq, Uanis(C47) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C52)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O5) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
: with sigma of 0.01 and sigma for terminal atoms of 0.02
: with sigma of 0.03 and sigma for terminal atoms of 0.06
Uanis(O10) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C24) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C32) \\sim Ueq, Uanis(C33) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.01
Uanis(C7) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C42) \\sim Ueq: with sigma of
0.005 and sigma for terminal atoms of 0.01
Uanis(C51) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C48) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C41) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
5. Rigid body (RIGU) restrains
 C19, C18, C17, C16, C15, C20
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1, C2, C3, C4, C5, N1
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
6.a Ternary CH refined with riding coordinates:
 C14(H14), C40(H40), C33(H33), C7(H7)
6.b Aromatic/amide H refined with riding coordinates:
 C39(H39), C38(H38), C37(H37), C36(H36), C35(H35), C42(H42), C43(H43),
 C44(H44), C45(H45), C46(H46), C9(H9), C10(H10), C11(H11), C12(H12), C13(H13),
 C20(H20), C19(H19), C18(H18), C17(H17), C16(H16), C52(H52), C49(H49), C50(H50),
  C51(H51), C27(H27), C28(H28), C29(H29), C30(H30), C26(H26), C23(H23),
 C24(H24), C25(H25), C1(H1), C4(H4), C3(H3), C2(H2), C6(H6), C32(H32), C21(H21),
  C47(H47)
;
_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 2.704
_oxdiff_exptl_absorpt_empirical_full_min 0.509