Ternary resistive switching memory of copper–organic complex/iodocuprate/sulfur hybrid enabled by π–π interactions and S8 relaxation
Li, Huifang; Gao, Yiqun; Lin, Xi; Li, Ke; Lin, Xiaoli; Li, Haohong; Zheng, Huidong; CrystEngComm 27 (2025) 1439–1445; doi:10.1039/D4CE01147C

data_7249841
_publ_section_title
;
 Ternary resistive switching memory of copper--organic
 complex/iodocuprate/sulfur hybrid enabled by \p--\p interactions and S8
 relaxation
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              1439
_journal_page_last               1445
_journal_paper_doi               10.1039/D4CE01147C
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety         'C24 H16 Cu I N4, 0.5(S8), 0.5(Cu2 I4)'
_chemical_formula_sum            'C24 H16 Cu2 I3 N4 S4'
_chemical_formula_weight         996.45
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_Hall           '-P 2ab 2ac'
_space_group_name_H-M_alt        'P c c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-07-15
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2024-08-13 deposited with the CCDC.	2025-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   23.119(2)
_cell_length_b                   15.1711(12)
_cell_length_c                   16.9715(15)
_cell_measurement_reflns_used    9934
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      24.26
_cell_measurement_theta_min      2.40
_cell_volume                     5952.6(9)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0471
_diffrn_reflns_av_unetI/netI     0.0255
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            45973
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.064
_diffrn_reflns_theta_max         25.064
_diffrn_reflns_theta_min         2.004
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.844
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5448
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1021 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.7311.
The \l/2 correction factor is Not present.
;
_exptl_crystal_density_diffrn    2.224
_exptl_crystal_description       block
_exptl_crystal_F_000             3752
_refine_diff_density_max         1.430
_refine_diff_density_min         -1.521
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.00016(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   0.677
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     340
_refine_ls_number_reflns         5272
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.677
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1945P)^2^+46.3162P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1565
_refine_ls_wR_factor_ref         0.1980
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3729
_reflns_number_total             5272
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4ce01147c2.cif
_cod_data_source_block           11
_cod_depositor_comments          'Adding full bibliography for 7249841.cif.'
_cod_original_cell_volume        5952.7(9)
_cod_database_code               7249841
_shelx_shelxl_version_number     2019/3
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Others
 Fixed Sof: I4(0.5)
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C13(H13),
 C14(H14), C15(H15), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22)
;
_shelx_res_checksum              12041
_olex2_submission_special_instructions 'No special instructions were received'