Coassembly-Directed Fabrication of an Exfoliated Form of Alternating Multilayers Composed of a Self-assembled Organoplatinum(II) Complex-Fullerene Dyad.
Sato, Satoru; Takei, Toshiaki; Matsushita, Yoshitaka; Yasuda, Takeshi; Kojima, Tatsuhiro; Kawano, Masaki; Ohnuma, Masato; Tashiro, Kentaro; Inorganic chemistry 54 (2015) 11581–11583; doi:10.1021/acs.inorgchem.5b01183

data_4346282
_publ_section_title
;
 Coassembly-Directed Fabrication of an Exfoliated Form of Alternating
 Multilayers Composed of a Self-assembled Organoplatinum(II)
 Complex-Fullerene Dyad.
;
_journal_issue                   24
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11581
_journal_page_last               11583
_journal_paper_doi               10.1021/acs.inorgchem.5b01183
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         '(C87 H21 N3 Pt),(C6 H14)0.5'
_chemical_formula_sum            'C90 H28 N3 Pt'
_chemical_formula_weight         1346.24
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.140(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.8751(5)
_cell_length_b                   28.8808(7)
_cell_length_c                   9.9690(2)
_cell_measurement_reflns_used    50627
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.30
_cell_measurement_theta_min      1.77
_cell_volume                     5066.1(2)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection
'Crystal Clear (Molecular Structure Corporation, 2001)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    Mercury
_computing_publication_material  WinGX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'RIGAKU Mercury CCD system'
_diffrn_measurement_method       'oscillation method, \w scans'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_source         'KEK PF-AR NW2 beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.68890
_diffrn_reflns_av_R_equivalents  0.1260
_diffrn_reflns_av_sigmaI/netI    0.1051
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       38
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            50627
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.30
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    2.498
_exptl_absorpt_correction_T_max  0.9666
_exptl_absorpt_correction_T_min  0.8869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2668
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         13.395
_refine_diff_density_min         -2.085
_refine_diff_density_rms         0.365
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.242
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     875
_refine_ls_number_reflns         12117
_refine_ls_number_restraints     35
_refine_ls_restrained_S_all      1.241
_refine_ls_R_factor_all          0.1593
_refine_ls_R_factor_gt           0.1288
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3529
_refine_ls_wR_factor_ref         0.3674
_reflns_number_gt                7547
_reflns_number_total             12117
_reflns_threshold_expression     >2s(I)
_cod_data_source_file            ic5b01183_si_002.cif
_cod_data_source_block           1b(1041759)
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4346282