Aspects of lanthanide complexes for selectivity, intensity and sharpness in luminescence bands from twenty-four praseodymium, europium and gadolinium complexes with differently distorted-hexadentate ligands.
Hasegawa, Miki; Sakurai, Shoya; Yamaguchi, Masafumi Andrew; Iwasawa, Daichi; Yajima, Naho; Ogata, Shuhei; Inazuka, Yudai; Ishii, Ayumi; Suzuki, Kengo; Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 19 (2020) 1054–1062; doi:10.1039/d0pp00069h

data_1558294
_publ_section_title
;
 Aspects of lanthanide complexes for selectivity, intensity and sharpness
 in luminescence bands from twenty-four praseodymium, europium and
 gadolinium complexes with differently distorted-hexadentate ligands.
;
_journal_issue                   8
_journal_name_full
'Photochemical &amp; photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology'
_journal_page_first              1054
_journal_page_last               1062
_journal_paper_doi               10.1039/d0pp00069h
_journal_volume                  19
_journal_year                    2020
_chemical_formula_moiety         'C25 H22 Eu N8 O6, F6 P, C2 H3 N'
_chemical_formula_sum            'C27 H25 Eu F6 N9 O6 P'
_chemical_formula_weight         868.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2018-08-09 deposited with the CCDC.	2020-06-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 96.9060(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.2647(9)
_cell_length_b                   11.7465(8)
_cell_length_c                   20.5653(14)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    90
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     3181.1(4)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      90
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0178
_diffrn_reflns_av_unetI/netI     0.0130
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            35104
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.514
_diffrn_reflns_theta_min         1.736
_exptl_absorpt_coefficient_mu    2.115
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_exptl_absorpt_process_details
;
SADABS Sheldrick 1996
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.813
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1720
_exptl_crystal_size_max          0.372
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_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0201
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_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0241P)^2^+3.7941P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0493
_refine_ls_wR_factor_ref         0.0497
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6967
_reflns_number_total             7272
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0pp00069h2.cif
_cod_data_source_block           shelx_CCDC4
_cod_depositor_comments
'Adding full bibliography for 1558290--1558295.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1558294
_shelx_estimated_absorpt_t_min   0.507
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_shelx_res_checksum              1347