Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as m-dash]C coupling at a boron center with O2 as the oxidant mediated by platinum(II)
S. Pal; P. Y. Zavalij; A. N. Vedernikov; Chem.Commun. 50 (2014) 5376–; doi:10.1039/C3CC47445C

data_7112651
_publ_section_title
;
 Oxidative C(sp3)-H bond cleavage, C-C and C[double bond, length as
 m-dash]C coupling at a boron center with O2 as the oxidant mediated by
 platinum(II)
;
_journal_name_full               Chem.Commun.
_journal_page_first              5376
_journal_paper_doi               10.1039/C3CC47445C
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C21 H31 B N2 Pt'
_chemical_formula_sum            'C21 H31 B N2 Pt'
_chemical_formula_weight         517.38
_chemical_name_common            Pt-complex
_chemical_name_systematic
;
Pt-complex
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-97 & ZCIF'
_cell_angle_alpha                90
_cell_angle_beta                 111.4895(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.7998(10)
_cell_length_b                   10.3648(8)
_cell_length_c                   14.9296(11)
_cell_measurement_reflns_used    17909
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.1
_cell_measurement_theta_min      2.4
_cell_volume                     1987.0(3)
_computing_cell_refinement       Apex2
_computing_data_collection       'Apex2 (Bruker, 2010)'
_computing_data_reduction        Apex2
_computing_molecular_graphics    'XSHEL (Bruker, 2004)'
_computing_publication_material  Apex2
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'three-circle diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0264
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            31911
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.993
_diffrn_reflns_theta_min         2.452
_exptl_absorpt_coefficient_mu    7.067
_exptl_absorpt_correction_T_max  0.493
_exptl_absorpt_correction_T_min  0.128
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1016
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.469
_refine_diff_density_min         -1.911
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     458
_refine_ls_number_reflns         5790
_refine_ls_number_restraints     820
_refine_ls_restrained_S_all      0.953
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0252
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+7.6500P]
where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0536
_refine_ls_wR_factor_ref         0.0550
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5236
_reflns_number_total             5790
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c3cc47445c.txt
_cod_data_source_block           2334
_cod_database_code               7112651
_shelx_estimated_absorpt_t_min   0.226
_shelx_estimated_absorpt_t_max   0.538
_diffrn_reflns_sigmai/neti       0.0181