Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines
Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong; CrystEngComm 26 (2024) 4235–4240; doi:10.1039/D4CE00440J

data_7249066
_publ_section_title
;
 Synthesis, structure and luminescence of two europium complexes of
 diphenylimidazophenanthrolines
;
_journal_issue                   31
_journal_name_full               CrystEngComm
_journal_page_first              4235
_journal_page_last               4240
_journal_paper_doi               10.1039/D4CE00440J
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'C98 H76 Eu2 N10 O12'
_chemical_formula_weight         1889.60
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterativ?
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-04-29 deposited with the CCDC.	2024-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.411(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.6535(4)
_cell_length_b                   16.8465(7)
_cell_length_c                   25.9752(10)
_cell_measurement_reflns_used    9975
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      56.95
_cell_measurement_theta_min      2.72
_cell_volume                     4216.8(3)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0598
_diffrn_reflns_av_unetI/netI     0.0456
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            34337
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         1.441
_exptl_absorpt_coefficient_mu    1.544
_exptl_absorpt_correction_T_max  0.844
_exptl_absorpt_correction_T_min  0.806
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1365 before and 0.0534 after correction.
The Ratio of minimum to maximum transmission is 0.5602.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.488
_exptl_crystal_description       block
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.110
_refine_diff_density_max         0.912
_refine_diff_density_min         -0.726
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         8491
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0407
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+9.7921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0983
_refine_ls_wR_factor_ref         0.1016
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7243
_reflns_number_total             8610
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ce00440j2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7249065--7249067.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7249066
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.813
_shelx_estimated_absorpt_t_max   0.848
_shelx_res_checksum              71954