Two viologen-based photoluminescent compounds: excitation-wavelength-dependent and photoirradiation-time-dependent photoluminescent switches
Liu, Qing; Liu, Lu; Yu, Cao-Ming; Li, Pei-Xin; Guo, Guo-Cong; CrystEngComm 23 (2021) 3856–3860; doi:10.1039/D1CE00072A

data_7242756
_publ_section_title
;
 Two viologen-based photoluminescent compounds:
 excitation-wavelength-dependent and photoirradiation-time-dependent
 photoluminescent switches
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              3856
_journal_page_last               3860
_journal_paper_doi               10.1039/D1CE00072A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_moiety         'C18 H11 Cl N2 O4 Zn, O'
_chemical_formula_sum            'C18 H0.25 Cl N2 O5 Zn'
_chemical_formula_weight         425.27
_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   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2020-11-23
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-11-23 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.423(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5044(13)
_cell_length_b                   7.5706(5)
_cell_length_c                   17.2282(15)
_cell_measurement_reflns_used    2232
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      25.09
_cell_measurement_theta_min      2.42
_cell_volume                     1895.1(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      301.18
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_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  0.0498
_diffrn_reflns_av_unetI/netI     0.0460
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            10070
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        24.713
_diffrn_reflns_theta_max         24.713
_diffrn_reflns_theta_min         2.804
_exptl_absorpt_coefficient_mu    1.466
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Light Yellow'
_exptl_crystal_colour_modifier   'Light Yellow'
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_description       Plate
_exptl_crystal_F_000             837
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.419
_refine_diff_density_min         -1.492
_refine_diff_density_rms         0.274
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.444
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.444
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0997
_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^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3133
_refine_ls_wR_factor_ref         0.3304
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2628
_reflns_number_total             3104
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce00072a2.cif
_cod_data_source_block           lq20027
_cod_depositor_comments
'Adding full bibliography for 7242756--7242757.cif.'
_cod_database_code               7242756
_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C18(H18), C10(H10), C9(H9), C7(H7), C6(H6), C1(H1), C5(H5), C2(H2),
 C8(H8), C15(H15)
;
_shelx_res_checksum              78354
_shelx_hkl_checksum              53725
_olex2_submission_special_instructions 'No special instructions were received'