Tetraiodido[methylenebis(diphenylphosphine oxide)-κ^2^<i>O</i>:<i>O</i>']tin(IV) chloroform solvate
Caldwell, Allison M.; Tanski, Joseph M.; Acta Crystallographica Section E 64 (2008) m894–; doi:10.1107/S1600536808013627

data_2218840
_publ_section_title
;
 Tetraiodido[methylenebis(diphenylphosphine
 oxide)-\k^2^<i>O</i>:<i>O</i>']tin(IV) chloroform solvate
;
_journal_coeditor_code           WM2178
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m894
_journal_paper_doi               10.1107/S1600536808013627
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Sn I4 (C25 H22 O2 P2)], C H Cl3'
_chemical_formula_moiety         'C25 H22 I4 O2 P2 Sn, C H Cl3'
_chemical_formula_sum            'C26 H23 Cl3 I4 O2 P2 Sn'
_chemical_formula_weight         1162.02
_chemical_name_systematic
;
Tetraiodido[methylenebis(diphenylphosphine
oxide)-\k^2^<i>O</i>:<i>O</i>']tin(IV) chloroform solvate
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 108.4790(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2639(5)
_cell_length_b                   19.0609(11)
_cell_length_c                   10.1991(6)
_cell_measurement_reflns_used    9838
_cell_measurement_temperature    125(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.32
_cell_volume                     1708.08(17)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL  (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      125(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            20220
_diffrn_reflns_theta_full        26.73
_diffrn_reflns_theta_max         26.73
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    4.714
_exptl_absorpt_correction_T_max  0.9116
_exptl_absorpt_correction_T_min  0.5582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2007)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.729
_refine_diff_density_min         -0.504
_refine_ls_abs_structure_details 'Flack (1983), 3512 Friedel pairs'
_refine_ls_abs_structure_Flack   0.004(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         7254
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0209
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0195P)^2^+0.2278P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0449
_refine_ls_wR_factor_ref         0.0455
_reflns_number_gt                6994
_reflns_number_total             7254
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2178.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2218840
_cod_database_fobs_code          2218840