Palladium dimethylsilanedithiolato complex: a precursor for Ti‒Pd and Ti‒Pd2 heterometallic complexesElectronic supplementary information (ESI) available: experimental details and spectroscopic data for 1, 2 and 3. See http://www.rsc.org/suppdata/cc/b2/b201702d/
Komuro, Takashi; Matsuo, Tsukasa; Kawaguchi, Hiroyuki; Tatsumi, Kazuyuki; Chemical Communications  (2002) 988–; doi:10.1039/b201702d

data_7114531
_publ_section_title
;
 Palladium dimethylsilanedithiolato complex: a precursor for Ti--Pd and
 Ti--Pd2 heterometallic complexesElectronic supplementary information
 (ESI) available: experimental details and spectroscopic data for 1, 2 and
 3. See http://www.rsc.org/suppdata/cc/b2/b201702d/
;
_journal_issue                   9
_journal_name_full               'Chemical Communications'
_journal_page_first              988
_journal_paper_doi               10.1039/b201702d
_journal_year                    2002
_chemical_formula_sum            'C17 H35 Cl P2 Pd S2 Ti'
_chemical_formula_weight         555.28
_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'
_audit_creation_date             'Wed Feb 13 19:09:29 2002'
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                90
_cell_angle_beta                 99.558(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.417(5)
_cell_length_b                   17.174(8)
_cell_length_c                   12.419(6)
_cell_measurement_reflns_used    8638
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      1.6
_cell_volume                     2401.3(19)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP-3
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9863
_diffrn_measured_fraction_theta_max 0.9863
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19287
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    1.499
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_type   'REQABA Empirical Absorption Correction'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.88
_refine_diff_density_min         -0.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     252
_refine_ls_number_reflns         5430
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                4148
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b201702d.txt
_cod_data_source_block           CpTiClS2Pd(PEt3)2
_cod_original_cell_volume        2401(1)
_cod_original_formula_sum        'C17 H35 Cl P2 Pd S2 Ti '
_cod_database_code               7114531