Discovery and mechanistic investigation of Pt-catalyzed oxidative homocoupling of benzene with PhI(OAc)<sub>2</sub>.
Nabavizadeh, S. Masoud; Niroomand Hosseini, Fatemeh; Park, Chan; Wu, Guang; Abu-Omar, Mahdi M; Dalton transactions (Cambridge, England : 2003) 49 (2020) 2477–2486; doi:10.1039/c9dt04261j

data_7703305
_publ_section_title
;
 Discovery and mechanistic investigation of Pt-catalyzed oxidative
 homocoupling of benzene with PhI(OAc)<sub>2</sub>.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2477
_journal_page_last               2486
_journal_paper_doi               10.1039/c9dt04261j
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C21 H19 N Pt S'
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_space_group_crystal_system      triclinic
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-11-13 deposited with the CCDC.	2020-01-15 downloaded from the CCDC.
;
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_cell_angle_beta                 78.578(9)
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_cell_volume                     855.4(4)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker Kappa Apex II'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.971
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.990
_exptl_crystal_description       block
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_exptl_crystal_size_mid          0.100
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_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_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^)+(0.0269P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0754
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3043
_reflns_number_total             3603
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04261j2.cif
_cod_data_source_block           09142017_0m_a
_cod_depositor_comments          'Adding full bibliography for 7703305.cif.'
_cod_database_code               7703305
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.490
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_shelx_res_checksum              56821