Facile preparation, mechanochromic luminescence and excitation wavelength-dependent emission of tetra(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)ethene Zn(II) complexes and their applications.
Liu, Su-Jia; Shi, Yong-Sheng; Wang, Rui-Ying; Xiao, Tong; Xia, Zhong-Gang; Wang, Rui; Zheng, Xiang-Jun; Dalton transactions (Cambridge, England : 2003) 54 (2025) 3619–3625; doi:10.1039/d4dt03434a

data_7717847
_publ_section_title
;
 Facile preparation, mechanochromic luminescence and excitation
 wavelength-dependent emission of
 tetra(1<i>H</i>-benzo[<i>d</i>]imidazol-2-yl)ethene Zn(II) complexes and
 their applications.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3619
_journal_page_last               3625
_journal_paper_doi               10.1039/d4dt03434a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_sum            'C15 H12 Br2 N4 O Zn'
_chemical_formula_weight         489.48
_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
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-09-24 deposited with the CCDC.	2025-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                88.322(4)
_cell_angle_beta                 70.428(5)
_cell_angle_gamma                83.041(4)
_cell_formula_units_Z            2
_cell_length_a                   9.1124(5)
_cell_length_b                   9.9522(4)
_cell_length_c                   9.9964(6)
_cell_measurement_reflns_used    2521
_cell_measurement_temperature    297.42(10)
_cell_measurement_theta_max      28.2920
_cell_measurement_theta_min      4.1170
_cell_volume                     847.82(8)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.805
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, AtlasS2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.805
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6061
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.805
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.741
_diffrn_reflns_theta_min         3.500
_exptl_absorpt_coefficient_mu    6.169
_exptl_crystal_density_diffrn    1.917
_exptl_crystal_description       block
_exptl_crystal_F_000             476
_refine_diff_density_max         0.625
_refine_diff_density_min         -0.483
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         3547
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0273P)^2^+0.3868P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0672
_refine_ls_wR_factor_ref         0.0732
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2884
_reflns_number_total             3547
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03434a2.cif
_cod_data_source_block           cl-green
_cod_depositor_comments
'Adding full bibliography for 7717847--7717848.cif.'
_cod_database_code               7717847
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              56327