What is the key factor affecting the cathodoluminescence intensity of europium complexes?
Lu, Rongdeng; Huang, Tinghui; Goloveshkin, Alexander; Kopytov, Dmitry; Orekhova, Kseniya; Khanbekov, Ivan; Utochnikova, Valentina V.; Dalton transactions (Cambridge, England : 2003) 53 (2024) 18104–18109; doi:10.1039/d4dt02501f

data_7717348
_publ_section_title
;
 What is the key factor affecting the cathodoluminescence intensity of
 europium complexes?
;
_journal_issue                   45
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              18104
_journal_page_last               18109
_journal_paper_doi               10.1039/d4dt02501f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C42 H27 Eu N2 O7, H2 O'
_chemical_formula_sum            'C42 H29 Eu N2 O8'
_chemical_formula_weight         841.63
_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
_atom_sites_solution_primary     dual
_audit_creation_date             2024-07-21
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-07-21 deposited with the CCDC.	2024-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                72.3670(10)
_cell_angle_beta                 81.1620(10)
_cell_angle_gamma                82.4180(10)
_cell_formula_units_Z            2
_cell_length_a                   9.0051(3)
_cell_length_b                   11.6133(3)
_cell_length_c                   17.4351(5)
_cell_measurement_reflns_used    9079
_cell_measurement_temperature    120
_cell_measurement_theta_max      29.38
_cell_measurement_theta_min      2.30
_cell_volume                     1709.97(9)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0310
_diffrn_reflns_av_unetI/netI     0.0574
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.971
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21560
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.971
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.606
_diffrn_reflns_theta_min         1.234
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.895
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6514
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0670 before and 0.0364 after correction.
The Ratio of minimum to maximum transmission is 0.8731.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.635
_exptl_crystal_description       block
_exptl_crystal_F_000             844
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.842
_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.116
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     484
_refine_ls_number_reflns         10223
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0223P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0563
_refine_ls_wR_factor_ref         0.0574
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8687
_reflns_number_total             10223
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02501f2.cif
_cod_data_source_block           a_a
_cod_depositor_comments          'Adding full bibliography for 7717348.cif.'
_cod_database_code               7717348
_shelx_shelxl_version_number     2018/3
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H,H) groups
2. Restrained distances
 Eu1-H7A \\sim Eu1-H7B
 with sigma of 0.02
3.a Free rotating group:
 O7(H7A,H7B), O8(H8A,H8B)
3.b Aromatic/amide H refined with riding coordinates:
 C30(H30), C27(H27), C7(H7), C11(H11), C12(H12), C40(H40), C39(H39), C33(H33),
 C1(H1), C36(H36), C2(H2), C42(H42), C34(H34), C8(H8), C28(H28), C18(H18),
 C14(H14), C22(H22), C15(H15), C23(H23), C24(H24), C17(H17), C20(H20), C16(H16),
  C21(H21)
;
_olex2_submission_special_instructions 'No special instructions were received'