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_7114532
_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_moiety         'C25 H62 Cl4 P4 Pd2 S3 Ti '
_chemical_formula_sum            'C25 H62 Cl4 P4 Pd2 S3 Ti'
_chemical_formula_weight         985.35
_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 13:57:44 2002'
_audit_creation_method           'by CrystalStructure v2.00'
_cell_angle_alpha                90
_cell_angle_beta                 93.913(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.305(3)
_cell_length_b                   20.642(7)
_cell_length_c                   19.845(7)
_cell_measurement_reflns_used    15594
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      1.5
_cell_volume                     4212(2)
_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 0.9949
_diffrn_measured_fraction_theta_max 0.9971
_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  0.028
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33890
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.601
_exptl_absorpt_correction_T_max  0.726
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   'REQABA Empirical Absorption Correction'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.94
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     414
_refine_ls_number_reflns         9626
_refine_ls_R_factor_gt           0.0300
_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         0.0700
_reflns_number_gt                7776
_reflns_number_total             0
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b201702d.txt
_cod_data_source_block           Ti(S)Cl2[S2Pd2(PEt3)4]-2
_cod_original_cell_volume        4211(2)
_cod_original_formula_sum        'C25 H62 Cl4 P4 Pd2 S3 Ti '
_cod_database_code               7114532