Ligand-Dependent Selective Formation of Unique Silylpalladium Complexes by the Reaction of 1-(Dimethylsilyl)-2-silylbenzene and [{1,2-C6H4(SiMe2)(SiH2)}Pd(R2PCH2CH2PR2)]
Li, Yong-Hua; Shimada, Shigeru; Organometallics 29 (2010) 4406–; doi:10.1021/om100626k

data_4066785
_publ_section_title
;
 Ligand-Dependent Selective Formation of Unique Silylpalladium Complexes
 by the Reaction of 1-(Dimethylsilyl)-2-silylbenzene and
 [{1,2-C6H4(SiMe2)(SiH2)}Pd(R2PCH2CH2PR2)]
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4406
_journal_paper_doi               10.1021/om100626k
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C44 H74 P4 Pd2 Si8 '
_chemical_formula_sum            'C44 H74 P4 Pd2 Si8'
_chemical_formula_weight         1164.45
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_audit_creation_date             2008-11-13
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                90.0000
_cell_angle_beta                 111.2370(10)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   21.2824(11)
_cell_length_b                   15.0720(7)
_cell_length_c                   18.9467(10)
_cell_measurement_reflns_used    7019
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      28.2
_cell_measurement_theta_min      2.3
_cell_volume                     5664.8(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean '8.366 [pixels/mm]'
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.921
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16935
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         28.26
_exptl_absorpt_coefficient_mu    0.946
_exptl_absorpt_correction_T_max  0.8869
_exptl_absorpt_correction_T_min  0.8558
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
SADABS; Sheldrick 1996
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2408.00
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.66
_refine_diff_density_min         -0.49
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     326
_refine_ls_number_reflns         6352
_refine_ls_R_factor_gt           0.0320
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.5000\s(Fo^2^) + 0.1300]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0708
_reflns_number_gt                5417
_reflns_number_total             6352
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100626k_si_001.cif
_cod_data_source_block           complex-8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_sites_solution_hydrogens' value 'geom & difmap' was changed to
'mixed'.

Automatic conversion script
Id: cif_fix_values 6452 2018-10-05 10:23:21Z andrius 
;
_cod_original_formula_sum        'C44 H74 P4 Pd2 Si8 '
_cod_database_code               4066785