Preparation and Thermal Reaction of Tetrastannapalladacyclopentane. Sn−Sn Bond Formation and Cleavage
Tanabe, Makoto; Hanzawa, Masaya; Osakada, Kohtaro; Organometallics 29 (2010) 3535–; doi:10.1021/om100281t

data_4066082
_publ_section_title
;
 Preparation and Thermal Reaction of Tetrastannapalladacyclopentane.
 Sn&#x2212;Sn Bond Formation and Cleavage
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3535
_journal_paper_doi               10.1021/om100281t
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C42 H46 P2 Pd Sn2 '
_chemical_formula_sum            'C42 H46 P2 Pd Sn2'
_chemical_formula_weight         956.55
_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                 96.006(2)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.6524(19)
_cell_length_b                   27.857(4)
_cell_length_c                   12.180(2)
_cell_measurement_reflns_used    12413
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     3931.9(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS97
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            31694
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.822
_exptl_absorpt_correction_T_max  0.789
_exptl_absorpt_correction_T_min  0.566
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1896.00
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.47
_refine_diff_density_min         -0.71
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     425
_refine_ls_number_reflns         8991
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0769
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                7599
_reflns_number_total             8991
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om100281t_si_001.cif
_cod_data_source_block           '__complex1'
_cod_original_formula_sum        'C42 H46 P2 Pd Sn2 '
_cod_database_code               4066082