Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid
Pantcheva, Ivayla; Osakada, Kohtaro; Organometallics 25 (2006) 1735–; doi:10.1021/om0509903

data_4074902
_publ_section_title
;
 Synthesis and Reactivity of a Platinum(II) Complex with a Chelating
 Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic
 Acid
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              1735
_journal_paper_doi               10.1021/om0509903
_journal_volume                  25
_journal_year                    2006
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_sum            'C42 H38 B2 O5 P2 Pt'
_chemical_formula_weight         901.41
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      29
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            8
_cell_length_a                   16.0265(17)
_cell_length_b                   21.295(2)
_cell_length_c                   22.041(2)
_cell_measurement_reflns_used    19075
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     7522.2(13)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.089
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            54896
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    3.846
_exptl_absorpt_correction_T_max  0.000
_exptl_absorpt_correction_T_min  0.000
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3584.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.84
_refine_diff_density_min         -1.00
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  0 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.441(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1014
_refine_ls_number_reflns         8823
_refine_ls_R_factor_gt           0.0300
_refine_ls_shift/su_max          0.0036
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 0.4000\s(Fo^2^) + 0.0001]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                6361
_reflns_number_total             8823
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om0509903si20060114_115337.cif
_cod_data_source_block           form2
_cod_original_cell_volume        7522.3(14)
_cod_original_formula_sum        'C84 H76 B4 O10 P4 Pt2 '
_cod_database_code               4074902