Tuning of resistive memory switching in electropolymerized metallopolymeric films
Cui, Bin-Bin; Mao, Zupan; Chen, Yuxia; Zhong, Yu-Wu; Yu, Gui; Zhan, Chuanlang; Yao, Jiannian; Chem. Sci. 6 (2015) 1308–; doi:10.1039/C4SC03345K

data_1518308
_publ_section_title
;
 Tuning of resistive memory switching in electropolymerized
 metallopolymeric films
;
_journal_issue                   2
_journal_name_full               'Chem. Sci.'
_journal_page_first              1308
_journal_paper_doi               10.1039/C4SC03345K
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C90 H64 N14 Ru2, 4(F6 P)'
_chemical_formula_sum            'C90 H64 F24 N14 P4 Ru2'
_chemical_formula_weight         2123.57
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_block_doi                 10.5517/cc13chhg
_audit_creation_date             2014-07-15
_audit_creation_method
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_audit_update_record
;
2014-09-12 deposited with the CCDC.
2014-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                84.81(3)
_cell_angle_beta                 82.76(3)
_cell_angle_gamma                72.33(3)
_cell_formula_units_Z            2
_cell_length_a                   13.811(3)
_cell_length_b                   18.252(4)
_cell_length_c                   20.803(4)
_cell_measurement_reflns_used    16881
_cell_measurement_temperature    173.1500
_cell_measurement_theta_max      27.4299
_cell_measurement_theta_min      0.9882
_cell_volume                     4949(2)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2007)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2007)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2013)'
_computing_structure_solution
;
'SHELXS (Sheldrick, 2013)'
;
_diffrn_ambient_temperature      173.1500
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device
;
Saturn724+ (2x2 bin mode)
;
_diffrn_measurement_device_details
;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_device_type  'MM007-HF CCD(Saturn 724+)'
_diffrn_measurement_method       '\w scans at fixed \c = 45\%'
_diffrn_orient_matrix_type       d*Trek
_diffrn_orient_matrix_UB_11      0.0463
_diffrn_orient_matrix_UB_12      0.0280
_diffrn_orient_matrix_UB_13      -0.0539
_diffrn_orient_matrix_UB_21      0.0223
_diffrn_orient_matrix_UB_22      0.0148
_diffrn_orient_matrix_UB_23      0.0510
_diffrn_orient_matrix_UB_31      0.0198
_diffrn_orient_matrix_UB_32      -0.0443
_diffrn_orient_matrix_UB_33      0.0012
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0992
_diffrn_reflns_av_unetI/netI     0.1070
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            40733
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.199
_diffrn_reflns_theta_min         1.575
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           24.0000
_diffrn_source_power             1.2000
_diffrn_source_voltage           50.0000
_exptl_absorpt_coefficient_mu    0.465
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrystalClear (Rigaku Inc., 2007)'
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.425
_exptl_crystal_description       block
_exptl_crystal_F_000             2132
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.838
_refine_diff_density_min         -1.018
_refine_diff_density_rms         0.137
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.168
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1207
_refine_ls_number_reflns         17697
_refine_ls_number_restraints     52
_refine_ls_restrained_S_all      1.169
_refine_ls_R_factor_all          0.1588
_refine_ls_R_factor_gt           0.1354
_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^)+(0.1867P)^2^+9.4680P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3591
_refine_ls_wR_factor_ref         0.3829
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13406
_reflns_number_total             17697
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c4sc03345k2.cif
_cod_data_source_block           mx3198_sq
_cod_depositor_comments          'Adding full bibliography for 1518308.cif.'
_cod_original_cell_volume        4949.4(19)
_cod_database_code               1518308
_shelxl_version_number           2013-4
_diffrn_number_total             22043
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C6-C1 = C6-C5 = C5-C4 = C4-C3 = C3-C2 = C2-C1
 1.39 with sigma of 0.01
3. Restrained planarity
 C1, C2, C3, C4, C5, C6
 with sigma of 0.01
4. Rigid bond restraints
 C1, N1
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
5. Uiso/Uaniso restraints and constraints
Uanis(C2) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C5) \\sim
Ueq, Uanis(C3) \\sim Ueq, Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(N1) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
6.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C14(H14), C15(H15), C17(H17), C18(H18), C20(H20), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C30(H30), C31(H31), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36), C37(H37), C42(H42), C43(H43), C44(H44), C45(H45),
  C48(H48), C49(H49), C50(H50), C51(H51), C54(H54), C55(H55), C56(H56),
 C57(H57), C58(H58), C59(H59), C60(H60), C61(H61), C64(H64), C66(H66), C69(H69),
  C70(H70), C71(H71), C72(H72), C74(H74), C75(H75), C77(H77), C78(H78),
 C80(H80), C81(H81), C82(H82), C83(H83), C84(H84), C86(H86), C87(H87), C88(H88),
  C89(H89), C90(H90)
;
_shelx_res_checksum              10742
_shelx_fab_checksum              87624