Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition Metal Only Frustrated Lewis Pair.
Campos, Jesús; Journal of the American Chemical Society 139 (2017) 2944–2947; doi:10.1021/jacs.7b00491

data_4125588
_publ_section_title
;
 Dihydrogen and Acetylene Activation by a Gold(I)/Platinum(0) Transition
 Metal Only Frustrated Lewis Pair.
;
_journal_issue                   8
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2944
_journal_page_last               2947
_journal_paper_doi               10.1021/jacs.7b00491
_journal_volume                  139
_journal_year                    2017
_chemical_formula_moiety         'C58 H99 Au P3 Pt, C2 F6 N O4 S2'
_chemical_formula_sum            'C60 H99 Au F6 N O4 P3 Pt S2'
_chemical_formula_weight         1561.48
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
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_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
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_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -34
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            114791
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.774
_exptl_absorpt_coefficient_mu    4.493
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4761
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_description       bar
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_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.894
_refine_diff_density_min         -1.334
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         15309
_refine_ls_number_restraints     293
_refine_ls_restrained_S_all      0.948
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1146P)^2^+27.9065P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1442
_refine_ls_wR_factor_ref         0.1809
_reflns_Friedel_coverage         0.000
_reflns_number_gt                11047
_reflns_number_total             15309
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b00491_si_003.cif
_cod_data_source_block           6
_cod_depositor_comments
'Adding full bibliography for 4125586--4125588.cif.'
_cod_database_code               4125588
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              13232
_shelx_hkl_checksum              51159