Tailored Synthesis of Molecularly-Thin Platinum Nanosheets Using Designed 2D Surfactant Solids
Yamamoto, Eisuke; Suzuki, Akiko; Kobayashi, Makoto; Osada, Minoru; Nanoscale  (2022) –; doi:10.1039/D2NR01807A

data_1567199
_publ_section_title
;
 Tailored Synthesis of Molecularly-Thin Platinum Nanosheets Using Designed
 2D Surfactant Solids
;
_journal_name_full               Nanoscale
_journal_paper_doi               10.1039/D2NR01807A
_journal_year                    2022
_chemical_formula_moiety         'C38  H75  Br2  Cl2  N2  Pt1'
_chemical_formula_sum            'C38 H84 Br0.6 Cl3.4 N2 Pt'
_chemical_formula_weight         932.63
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.5
_audit_creation_date             2022-03-22T17:50:15-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-03-31 deposited with the CCDC.	2022-06-28 downloaded from the CCDC.
;
_cell_angle_alpha                88.8910(10)
_cell_angle_beta                 80.8020(10)
_cell_angle_gamma                66.2290(10)
_cell_formula_units_Z            1
_cell_length_a                   7.59250(10)
_cell_length_b                   8.14060(10)
_cell_length_c                   20.0035(2)
_cell_measurement_reflns_used    39151
_cell_measurement_temperature    151(2)
_cell_measurement_theta_max      34.9570
_cell_measurement_theta_min      2.9140
_cell_measurement_wavelength     0.71073
_cell_volume                     1115.54(2)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      151(2)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0081153000
_diffrn_orient_matrix_UB_12      -0.0834693000
_diffrn_orient_matrix_UB_13      0.0044591000
_diffrn_orient_matrix_UB_21      0.0309106000
_diffrn_orient_matrix_UB_22      -0.0213576000
_diffrn_orient_matrix_UB_23      -0.0353115000
_diffrn_orient_matrix_UB_31      0.0984644000
_diffrn_orient_matrix_UB_32      -0.0407931000
_diffrn_orient_matrix_UB_33      0.0051695000
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_unetI/netI     0.0227
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            58022
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         33.141
_diffrn_reflns_theta_min         2.737
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.911
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72358
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.82a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             483
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: 2-propanol, water, N-Methylformamide'
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.055
_refine_diff_density_min         -1.038
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     210
_refine_ls_number_reflns         8515
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.02
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0290P)^2^+0.2242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0471
_refine_ls_wR_factor_ref         0.0473
_reflns_Friedel_coverage         0
_reflns_number_gt                8475
_reflns_number_total             8515
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nr01807a2.cif
_cod_data_source_block           shelx
_cod_original_formula_sum        'C38 H84 Br0.60 Cl3.40 N2 Pt'
_cod_database_code               1567199
_shelx_shelxl_version_number     2018/3