One-Pot Preparation of Mechanically Robust, Transparent, Highly Conductive, and Memristive Metal-Organic Ultrathin Film.
Moreno-Moreno, Miriam; Troyano, Javier; Ares, Pablo; Castillo, Oscar; Nijhuis, Christian A.; Yuan, Li; Amo-Ochoa, Pilar; Delgado, Salomé; Gómez-Herrero, Julio; Zamora, Félix; Gómez-Navarro, Cristina; ACS nano 12 (2018) 10171–10177; doi:10.1021/acsnano.8b05056

data_4516824
_publ_contact_author
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 Felix Zamora. Departamento de Quimica Inorganica. 
 Facultad de Ciencias
 Universidad Autonoma de Madrid, 28049 Madrid, Spain
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_publ_section_title
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 One-Pot Preparation of Mechanically Robust, Transparent, Highly
 Conductive, and Memristive Metal-Organic Ultrathin Film.
;
_journal_issue                   10
_journal_name_full               'ACS nano'
_journal_page_first              10171
_journal_page_last               10177
_journal_paper_doi               10.1021/acsnano.8b05056
_journal_volume                  12
_journal_year                    2018
_chemical_formula_moiety         'C2 H5 Cu2 I2 N S'
_chemical_formula_sum            'C2 H5 Cu2 I2 N S'
_chemical_formula_weight         456.01
_chemical_name_systematic
; 
diiodidoacetamidedicopper(I) 
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_Hall           '-I 4ad'
_space_group_name_H-M_alt        'I 41/a :2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   15.6719(4)
_cell_length_b                   15.6719(4)
_cell_length_c                   9.9574(2)
_cell_measurement_reflns_used    33911
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.527
_cell_measurement_theta_min      2.440
_cell_measurement_wavelength     0.71073
_cell_volume                     2445.62(10)
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Sir92 (Altomare et al., 1993)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2312
_diffrn_reflns_av_unetI/netI     0.0626
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            34627
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.577
_diffrn_reflns_theta_min         2.423
_exptl_absorpt_coefficient_mu    12.953
_exptl_absorpt_correction_T_max  0.53
_exptl_absorpt_correction_T_min  0.40
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    3.715
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.139
_refine_diff_density_min         -1.453
_refine_diff_density_rms         0.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     72
_refine_ls_number_reflns         1869
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0472
_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^)+(0.0698P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1261
_refine_ls_wR_factor_ref         0.1352
_reflns_number_gt                1239
_reflns_number_total             1869
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            nn8b05056_si_002.cif
_cod_data_source_block           compound1-18months293K
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2445.62(13)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4516824
_shelx_res_checksum              5931
_shelx_hkl_checksum              76281