Fluoroalkylation of a Methylplatinum(II) Complex under Photoirradiation
Suzaki, Yuji; Kiho, Minetada; Osakada, Kohtaro; Organometallics 36 (2017) 1391–; doi:10.1021/acs.organomet.7b00098

data_4089249
_publ_section_title
;
 Fluoroalkylation of a Methylplatinum(II) Complex under Photoirradiation
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1391
_journal_paper_doi               10.1021/acs.organomet.7b00098
_journal_volume                  36
_journal_year                    2017
_chemical_formula_moiety         'C16 H12 F18 Pt'
_chemical_formula_sum            'C16 H12 F18 Pt'
_chemical_formula_weight         741.33
_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     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0850
_cell_angle_beta                 104.7890
_cell_angle_gamma                107.7270
_cell_formula_units_Z            4
_cell_length_a                   11.5880
_cell_length_b                   13.0862
_cell_length_c                   15.1599
_cell_measurement_reflns_used    6505
_cell_measurement_temperature    113
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.24
_cell_volume                     2109.350
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2006)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2015)'
_computing_structure_refinement  'CRYSTALS (Carruthers, et al., 1999)'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      113
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            17075
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.281
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.785
_exptl_absorpt_correction_T_max  0.507
_exptl_absorpt_correction_T_min  0.242
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1392.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         4.880
_refine_diff_density_min         -7.240
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     655
_refine_ls_number_reflns         7222
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.023
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0005Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                6209
_reflns_number_total             9210
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om7b00098_si_002.cif
_cod_data_source_block           Pt_n-C4F9_2_cod
_cod_depositor_comments
;

2020-08-05
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C32 H24 F36 Pt2'
_cod_original_formula_weight         1482.66
_cod_original_formula_moiety         'C32 H24 F36 Pt2'
_cod_original_formula_units_Z            2
_cod_original_cell_volume        2109.3501
_cod_database_code               4089249