Regulating Memristor Performance of Organic-Inorganic Hybrid Polyoxometalates via Counter Cations
Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Hua; Li, Hao-Hong; Zheng, Shou-Tian; CrystEngComm  (2026) –; doi:10.1039/D6CE00045B

data_7251846
_publ_section_title
;
 Regulating memristor performance of organic--inorganic hybrid
 polyoxometalates via counter cations
;
_journal_issue                   16
_journal_name_full               CrystEngComm
_journal_page_first              2535
_journal_page_last               2541
_journal_paper_doi               10.1039/D6CE00045B
_journal_volume                  28
_journal_year                    2026
_chemical_formula_moiety
'C18 H20 Cu I Mn Mo6 N2 O24, 3(C24 H20 P), 3(O)'
_chemical_formula_sum            'C90 H80 Cu I Mn Mo6 N2 O26.75 P3'
_chemical_formula_weight         2531.49
_chemical_name_systematic        1
_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   geom
_atom_sites_solution_primary     iterative
_audit_creation_date             2025-12-17
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2025-12-17 deposited with the CCDC.	2026-03-20 downloaded from the CCDC.
;
_cell_angle_alpha                83.979(3)
_cell_angle_beta                 74.039(3)
_cell_angle_gamma                75.983(3)
_cell_formula_units_Z            2
_cell_length_a                   12.183(2)
_cell_length_b                   19.984(4)
_cell_length_c                   20.262(4)
_cell_measurement_reflns_used    5526
_cell_measurement_temperature    170
_cell_measurement_theta_max      24.372
_cell_measurement_theta_min      2.289
_cell_volume                     4597.8(15)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      170
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'CCD  area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0963
_diffrn_reflns_av_unetI/netI     0.1167
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            47121
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        24.946
_diffrn_reflns_theta_max         24.946
_diffrn_reflns_theta_min         1.452
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    1.616
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6292
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0853 before and 0.0618 after correction.
The Ratio of minimum to maximum transmission is 0.8443.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_description       block
_exptl_crystal_F_000             2504
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.190
_refine_diff_density_min         -0.791
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1183
_refine_ls_number_reflns         15635
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.1279
_refine_ls_R_factor_gt           0.0561
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0707P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1260
_refine_ls_wR_factor_ref         0.1608
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8703
_reflns_number_total             15635
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6ce00045b2.cif
_cod_data_source_block           mo_20250418111_0m
_cod_depositor_comments
'Adding full bibliography for 7251846--7251847.cif.'
_cod_original_cell_volume        4597.7(14)
_cod_database_code               7251846
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_max   0.882
_shelx_estimated_absorpt_t_min   0.855
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(O27) \\sim Ueq: with sigma of 0.02 and sigma for terminal atoms of 0.004
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C3(H3A,H3B), C6(H6A,H6B), C24(H24A,H24B), C28(H28A,H28B),
 C75(H75A,H75B)
3.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C8(H8), C10(H10), C12(H12), C15(H15), C16(H16), C17(H17), C19(H19),
 C21(H21), C22(H22), C23(H23), C26(H26), C27(H27), C29(H29), C31(H31), C32(H32),
  C33(H33), C34(H34), C35(H35), C36(H36), C39(H39), C40(H40), C41(H41),
 C42(H42), C43(H43), C45(H45), C46(H46), C47(H47), C48(H48), C49(H49), C50(H50),
  C51(H51), C52(H52), C54(H54), C56(H56), C57(H57), C58(H58), C59(H59),
 C60(H60), C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C67(H67),
  C68(H68), C69(H69), C70(H70), C71(H71), C72(H72), C73(H73), C74(H74),
 C76(H76), C77(H77), C78(H78), C79(H79), C80(H80), C81(H81), C82(H82), C83(H83),
  C84(H84), C85(H85), C86(H86), C87(H87), C88(H88), C89(H89), C90(H90)
;
_shelx_res_checksum              31042
_olex2_submission_special_instructions 'No special instructions were received'