Formation of C‒X Bonds through Stable Low-Electron-Count Cationic Platinum(IV) Alkyl Complexes Stabilized by N-Heterocyclic Carbenes
Rivada-Wheelaghan, Orestes; Roselló-Merino, Marta; Díez, Josefina; Maya, Celia; López-Serrano, Joaquín; Conejero, Salvador; Organometallics 33 (2014) 5944–; doi:10.1021/om500881k

data_4084504
_publ_section_title
;
 Formation of C--X Bonds through Stable Low-Electron-Count Cationic
 Platinum(IV) Alkyl Complexes Stabilized by N-Heterocyclic Carbenes
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              5944
_journal_paper_doi               10.1021/om500881k
_journal_volume                  33
_journal_year                    2014
_chemical_compound_source        synthesis
_chemical_formula_moiety         'C32 H12 B F24, C27 H44 Br2 N5 Pt'
_chemical_formula_sum            'C59 H56 B Br2 F24 N5 Pt'
_chemical_formula_weight         1656.81
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 107.343(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7842(3)
_cell_length_b                   13.4761(2)
_cell_length_c                   25.8383(4)
_cell_measurement_reflns_used    14238
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      71.3884
_cell_measurement_theta_min      3.2458
_cell_volume                     6908.03(19)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
;
_computing_molecular_graphics    'PLATON (Spek, 2007)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'DIRDIF-2008 ( Beurskens, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.2640
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device
; 
165 mm Onyx CCD detector in \k-geometry diffractometer
;
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            37168
_diffrn_reflns_theta_full        67.00
_diffrn_reflns_theta_max         71.53
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    6.091
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.58083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.34.49 (release 20-01-2011 CrysAlis171 .NET)
(compiled Jan 20 2011,15:58:25)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.593
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3256
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.052
_exptl_crystal_size_min          0.018
_refine_diff_density_max         1.564
_refine_diff_density_min         -0.878
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     822
_refine_ls_number_reflns         13159
_refine_ls_number_restraints     23
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0630
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0911P)^2^+8.1102P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1428
_refine_ls_wR_factor_ref         0.1527
_reflns_number_gt                10737
_reflns_number_total             13159
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            om500881k_si_002.cif
_cod_data_source_block           7a
_cod_depositor_comments
'Adding full bibliography for 4084502--4084504.cif.'
_cod_original_cell_volume        6908.03(18)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4084504