Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular Donor‒Acceptor Interactions
Athukorala Arachchige, Kasun S.; Sanz Camacho, Paula; Ray, Matthew J.; Chalmers, Brian A.; Knight, Fergus R.; Ashbrook, Sharon E.; Bühl, Michael; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek; Organometallics 33 (2014) 2424–; doi:10.1021/om500289b

data_4083184
_publ_section_title
;
 Sterically Restricted Tin Phosphines, Stabilized by Weak Intramolecular
 Donor--Acceptor Interactions
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2424
_journal_paper_doi               10.1021/om500289b
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C20 H28 Cl P Sn'
_chemical_formula_sum            'C20 H28 Cl P Sn'
_chemical_formula_weight         453.56
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 93.768(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   10.0545(11)
_cell_length_b                   11.7826(13)
_cell_length_c                   18.088(2)
_cell_measurement_reflns_used    7251
_cell_measurement_temperature    93
_cell_measurement_theta_max      25.40
_cell_measurement_theta_min      2.30
_cell_volume                     2138.2(4)
_computing_cell_refinement       'CrystalClear-SM Expert 3.1 b27'
_computing_data_collection
'CrystalClear-SM Expert 3.1 b27 (Rigaku, 20112)'
_computing_data_reduction        'CrystalClear-SM Expert 3.1 b27'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0868
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13046
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.26
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.392
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_correction_T_min  0.479
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.409
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             920.00
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.91
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.892
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3748
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1191P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2082
_reflns_number_gt                1799
_reflns_number_total             3748
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om500289b_si_002.cif
_cod_data_source_block           KAAS-42-1
_cod_depositor_comments
'Adding full bibliography for 4083182--4083185.cif.'
_cod_database_code               4083184