Hydroformylation by Pt-Sn compounds from N-heterocyclic stannylenes.
Day, Benjamin M.; Dyer, Philip W.; Coles, Martyn P.; Dalton transactions (Cambridge, England : 2003) 41 (2012) 7457–7460; doi:10.1039/c2dt30988b

data_7019643
_publ_section_title
;
 Hydroformylation by Pt-Sn compounds from N-heterocyclic stannylenes.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7457
_journal_page_last               7460
_journal_paper_doi               10.1039/c2dt30988b
_journal_volume                  41
_journal_year                    2012
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C78 H120 Cl4 N6 Pt Si3 Sn4, 5.5(C6 H6)'
_chemical_formula_sum            'C111 H153 Cl4 N6 Pt Si3 Sn4'
_chemical_formula_weight         2467.31
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.2
_audit_creation_date             2011-03-09T08:55:39-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                68.806(1)
_cell_angle_beta                 74.334(2)
_cell_angle_gamma                76.225(1)
_cell_formula_units_Z            2
_cell_length_a                   15.6213(4)
_cell_length_b                   18.4765(5)
_cell_length_c                   22.0450(6)
_cell_measurement_reflns_used    24970
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_measurement_wavelength     0.71073
_cell_volume                     5641.7(3)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type
'Bruker-Nonius Roper CCD camera on \k-goniostat'
_diffrn_measurement_method       '\f & \w scans''
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      -0.0391665
_diffrn_orient_matrix_UB_12      0.0163402
_diffrn_orient_matrix_UB_13      0.0384206
_diffrn_orient_matrix_UB_21      -0.0547390
_diffrn_orient_matrix_UB_22      0.0004541
_diffrn_orient_matrix_UB_23      -0.0154875
_diffrn_orient_matrix_UB_31      -0.0008119
_diffrn_orient_matrix_UB_32      -0.0564519
_diffrn_orient_matrix_UB_33      0.0274380
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0595
_diffrn_reflns_av_unetI/netI     0.054
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            114438
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.94
_diffrn_source                   'Bruker-Nonius FR591 rotating anode'
_exptl_absorpt_coefficient_mu    2.282
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5659
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.452
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2498
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.245
_refine_diff_density_min         -3.183
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1030
_refine_ls_number_reflns         25805
_refine_ls_number_restraints     56
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.074
_refine_ls_R_factor_gt           0.0571
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0638P)^2^+26.7361P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1357
_refine_ls_wR_factor_ref         0.1453
_reflns_number_gt                20804
_reflns_number_total             25805
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30988b.txt
_cod_data_source_block           (4)-mar311
_cod_database_code               7019643