Platinum Dithiolene Complexes of π-Coordinating and π-Interacting η4-Cyclobutadiene Ligands
Nomura, Mitsushiro; Fujii, Takashi; Kajitani, Masatsugu; Organometallics 28 (2009) 3776–; doi:10.1021/om900222s

data_4069480
_publ_section_title
;
 Platinum Dithiolene Complexes of \p-Coordinating and \p-Interacting
 \h4-Cyclobutadiene Ligands
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3776
_journal_paper_doi               10.1021/om900222s
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C12 H12 N2 Pt S2 '
_chemical_formula_sum            'C12 H12 N2 Pt S2'
_chemical_formula_weight         443.45
_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                90.0000
_cell_angle_beta                 94.1190(15)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.8569(7)
_cell_length_b                   16.0720(13)
_cell_length_c                   11.4186(10)
_cell_measurement_reflns_used    3849
_cell_measurement_temperature    298.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     1438.2(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10963
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    9.987
_exptl_absorpt_correction_T_max  0.607
_exptl_absorpt_correction_T_min  0.308
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.048
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             832.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.19
_refine_diff_density_min         -2.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     166
_refine_ls_number_reflns         2795
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 5.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1656
_reflns_number_gt                2788
_reflns_number_total             3223
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om900222s_si_001.cif
_cod_data_source_block           '__(C4Me4)Pt(mnt)'
_cod_original_formula_sum        'C12 H12 N2 Pt S2 '
_cod_database_code               4069480