Arylplatinum Complexes with Arylboronate Ligands. Their Preparation, Structure, and Relevance to Transmetalation
Pantcheva, Ivayla; Nishihara, Yasushi; Osakada, Kohtaro; Organometallics 24 (2005) 3815–; doi:10.1021/om049050t

data_4075659
_publ_section_title
;
 Arylplatinum Complexes with Arylboronate Ligands. Their Preparation,
 Structure, and Relevance to Transmetalation
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3815
_journal_paper_doi               10.1021/om049050t
_journal_volume                  24
_journal_year                    2005
_chemical_formula_moiety         'C29 H35 B O3 P2 Pt '
_chemical_formula_sum            'C29 H35 B O3 P2 Pt'
_chemical_formula_weight         699.44
_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'
_cell_angle_alpha                90
_cell_angle_beta                 92.10(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.683(9)
_cell_length_b                   9.430(3)
_cell_length_c                   23.089(5)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      10.8
_cell_measurement_theta_min      9.3
_cell_volume                     2977(2)
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.01153
_diffrn_orient_matrix_UB_12      0.03489
_diffrn_orient_matrix_UB_13      0.04007
_diffrn_orient_matrix_UB_21      0.07110
_diffrn_orient_matrix_UB_22      -0.01224
_diffrn_orient_matrix_UB_23      0.01041
_diffrn_orient_matrix_UB_31      0.01263
_diffrn_orient_matrix_UB_32      0.09939
_diffrn_orient_matrix_UB_33      -0.01281
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.04090
_diffrn_reflns_av_sigmaI/netI    0.074
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            7567
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.63
_diffrn_standards_decay_%        -69.56
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.829
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1384.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.26
_refine_diff_density_min         -2.19
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.591
_refine_ls_goodness_of_fit_ref   2.590
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4080
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0543
_refine_ls_R_factor_gt           0.0540
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00002|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0460
_refine_ls_wR_factor_ref         0.0460
_reflns_number_gt                4080
_reflns_number_total             7271
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            om049050tsi20041202_063852.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C29 H35 B O3 P2 Pt '
_cod_database_code               4075659