Reactivity of the tetraphenyldithioimidodiphosphine‒diiodine (HL·I2) adduct towards indium powder
Abbati, G. Luca; Aragoni, M. Carla; Arca, Massimiliano; Devillanova, F. A.; Fabretti, Antonio C.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, G.; Dalton Transactions  (2003) 1515–; doi:10.1039/b211542e

data_7012514
_publ_section_title
;
 Reactivity of the tetraphenyldithioimidodiphosphine--diiodine
 (HL&#x00B7;I2) adduct towards indium powder
;
_journal_issue                   8
_journal_name_full               'Dalton Transactions'
_journal_page_first              1515
_journal_paper_doi               10.1039/b211542e
_journal_year                    2003
_chemical_formula_moiety         'C24 H20 I2 In1 N1 P2 S2'
_chemical_formula_sum            'C24 H20 I2 In N P2 S2'
_chemical_formula_weight         817.11
_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
_audit_creation_method           'WinGX routine-INITIALISE'
_cell_angle_alpha                90
_cell_angle_beta                 93.665(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.8500(6)
_cell_length_b                   17.555(2)
_cell_length_c                   18.649(3)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      16.29
_cell_measurement_theta_min      12.39
_cell_volume                     2891.4(6)
_computing_cell_refinement       'CAD4 Express (Enraf Nonius, 1992)'
_computing_data_collection       'CAD4 Express (Enraf Nonius, 1992)'
_computing_data_reduction        'XCAD4 (Harms, 1996)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1998)'
_computing_structure_solution    'SIR-97 (Altomare et al., 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Enraf Nonius CAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_radiation_detector       'scintillation LiI'
_diffrn_radiation_detector_dtime 1.195
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0108
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_refln_scan_mode          ot
_diffrn_refln_scan_mode_backgd   mo
_diffrn_refln_scan_width         0.90
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            9382
_diffrn_reflns_theta_full        30.95
_diffrn_reflns_theta_max         30.95
_diffrn_reflns_theta_min         2.19
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.221
_exptl_absorpt_correction_T_max  0.482
_exptl_absorpt_correction_T_min  0.232
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'psi-scans (North et al., 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_meas      1.88(2)
_exptl_crystal_density_method    'flotation, CH3OH-CHBr3'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.324
_refine_diff_density_min         -1.576
_refine_diff_density_rms         0.138
_refine_ls_extinction_coef       0.0042(3)
_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   1.087
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         9151
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0717
_refine_ls_R_factor_gt           0.0471
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0812P)^2^+1.6350P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1369
_refine_ls_wR_factor_ref         0.1473
_reflns_number_gt                6274
_reflns_number_total             9147
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b211542e.txt
_cod_data_source_block           indio
_cod_depositor_comments
;
 Moving the _atom_type_number_in_cell data item into the _atom_type loop.

 Antanas Vaitkus,
 2017-01-11
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7012514
_diffrn_standards_decay_corr_max 1.000
_diffrn_standards_decay_corr_min 1.000