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_4075658
_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 H34 O P2 Pt '
_chemical_formula_sum            'C29 H34 O P2 Pt'
_chemical_formula_weight         655.62
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.67(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.585(3)
_cell_length_b                   39.428(4)
_cell_length_c                   9.540(3)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      10.8
_cell_measurement_theta_min      9.6
_cell_volume                     2669.4(14)
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      -0.07105
_diffrn_orient_matrix_UB_12      0.00067
_diffrn_orient_matrix_UB_13      -0.11042
_diffrn_orient_matrix_UB_21      0.00306
_diffrn_orient_matrix_UB_22      0.02535
_diffrn_orient_matrix_UB_23      0.00274
_diffrn_orient_matrix_UB_31      0.12165
_diffrn_orient_matrix_UB_32      -0.00025
_diffrn_orient_matrix_UB_33      -0.01874
_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  0.03274
_diffrn_reflns_av_sigmaI/netI    0.087
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6687
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.51
_diffrn_standards_decay_%        -4.02
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.375
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.511
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1296.00
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.00
_refine_diff_density_min         -1.01
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.388
_refine_ls_goodness_of_fit_ref   1.390
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4249
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00003|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0350
_refine_ls_wR_factor_ref         0.0350
_reflns_number_gt                4249
_reflns_number_total             6241
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            om049050tsi20041202_063852.cif
_cod_data_source_block           1
_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_cell_volume        2669(1)
_cod_original_sg_symbol_H-M      'P 21/a     '
_cod_original_formula_sum        'C29 H34 O P2 Pt '
_cod_database_code               4075658