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_4083182
_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         'C36 H37 P Sn'
_chemical_formula_sum            'C36 H37 P Sn'
_chemical_formula_weight         619.35
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.548(9)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   11.655(4)
_cell_length_b                   13.276(5)
_cell_length_c                   19.392(7)
_cell_measurement_reflns_used    11230
_cell_measurement_temperature    125
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      1.53
_cell_volume                     2949.9(18)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r5'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r5 (Rigaku, 2010)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r5'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      125
_diffrn_detector_area_resol_mean 29.257
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0876
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22014
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.78
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.943
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.706
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1272.00
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.78
_refine_diff_density_min         -0.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.155
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5151
_refine_ls_number_restraints     6
_refine_ls_R_factor_gt           0.0629
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0468P)^2^+6.7290P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1399
_reflns_number_gt                4430
_reflns_number_total             5151
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om500289b_si_002.cif
_cod_data_source_block           KAAS-30-1
_cod_depositor_comments
'Adding full bibliography for 4083182--4083185.cif.'
_cod_original_cell_volume        2949.7(18)
_cod_database_code               4083182