A new type of iodosulfite ion formulated as I2SO2(2-).
Nagasawa, Isoroku; Amita, Hideaki; Kitagawa, Hiroshi; Chemical communications (Cambridge, England) 34 (2008) 204–205; doi:10.1039/b815809f

data_7104124
_publ_section_title
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 A new type of iodosulfite ion formulated as I2SO2(2-).
;
_journal_issue                   2
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              204
_journal_page_last               205
_journal_paper_doi               10.1039/b815809f
_journal_volume                  34
_journal_year                    2008
_chemical_formula_moiety         'C20 H48 P4 Pt, O2 S, 2(I) '
_chemical_formula_sum            'C20 H48 I2 O2 P4 Pt S'
_chemical_formula_weight         925.45
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 115.1959(5)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   20.3987(9)
_cell_length_b                   7.9339(2)
_cell_length_c                   21.585(1)
_cell_measurement_reflns_used    4288
_cell_measurement_temperature    277.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     3160.9(2)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL97
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 14.71
_diffrn_measured_fraction_theta_full 97.1000
_diffrn_measured_fraction_theta_max 27.4835
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.045
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            12432
_diffrn_reflns_theta_full        27.4835
_diffrn_reflns_theta_max         27.4835
_diffrn_reflns_theta_min         3.1291
_exptl_absorpt_coefficient_mu    6.659
_exptl_absorpt_correction_T_max  0.454
_exptl_absorpt_correction_T_min  0.144
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1776.0
_exptl_crystal_size_max          0.547
_exptl_crystal_size_mid          0.455
_exptl_crystal_size_min          0.184
_refine_diff_density_max         1.60
_refine_diff_density_min         -5.64
_refine_ls_extinction_coef       0.0000
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.582
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     138
_refine_ls_number_reflns         3491
_refine_ls_R_factor_gt           0.0492
_refine_ls_shift/su_max          0.0390
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1824
_reflns_number_gt                3491
_reflns_number_total             3568
_reflns_threshold_expression     F^2^>2.0sigma(I)
_cod_data_source_file            b815809f.txt
_cod_data_source_block           '_Pt(depe)2(ISO2)2'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Numerical' changed to 'numerical'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C20 H48 I2 O2 P4 Pt S '
_cod_database_code               7104124