Photoreaction of Platinum(II) β-Diketonate Complexes with Olefins
Fei Wang; Xiaosong Wu; A. Alan Pinkerton; Poomani Kumaradhas; Douglas C. Neckers; Inorganic Chemistry 40 (2001) 6000–6003; doi:10.1021/ic0100774

data_4320452
_publ_section_title
;
 Photoreaction of Platinum(II) \b-Diketonate Complexes with Olefins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6000
_journal_page_last               6003
_journal_paper_doi               10.1021/ic0100774
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C12 H6 F12 O4 Pt'
_chemical_formula_weight         637.26
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 100.1410(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.6110(5)
_cell_length_b                   8.57360(10)
_cell_length_c                   9.5455(2)
_cell_measurement_reflns_used    3990
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      28.09
_cell_measurement_theta_min      3.89
_cell_volume                     1660.44(6)
_computing_cell_refinement       'SMART & SAINT-Plus ( Bruker, 1999)'
_computing_data_collection       'SMART ( Bruker, 1999)'
_computing_data_reduction        'SAINT-Plus ( Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick,1997)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.918
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Brukers SMART diffractometer'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_sigmaI/netI    0.0213
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            4887
_diffrn_reflns_theta_full        28.11
_diffrn_reflns_theta_max         28.11
_diffrn_reflns_theta_min         3.84
_exptl_absorpt_coefficient_mu    8.598
_exptl_absorpt_correction_T_max  0.407
_exptl_absorpt_correction_T_min  0.274
_exptl_absorpt_correction_type
'Empirical: Multipole Expansion (Blessing, 1995)'
_exptl_absorpt_process_details   'SADABS ( Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.549
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangular
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.643
_refine_diff_density_min         -1.144
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         1855
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0262
_refine_ls_R_factor_gt           0.0245
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0432P)^2^+6.3711P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0635
_refine_ls_wR_factor_ref         0.0642
_reflns_number_gt                1772
_reflns_number_total             1855
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic0100774.cif
_cod_data_source_block           bow
_cod_database_code               4320452