The reaction of dithiadiphosphetane disulfides with dienes, alkenes and thioaldehydes
St. John Foreman, Mark R.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Journal of the Chemical Society, Dalton Transactions  (1999) 1175–; doi:10.1039/a808918c

data_7027179
_publ_section_title
;
 The reaction of dithiadiphosphetane disulfides with dienes, alkenes and
 thioaldehydes
;
_journal_issue                   7
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1175
_journal_paper_doi               10.1039/a808918c
_journal_year                    1999
_chemical_compound_source        -
_chemical_formula_analytical     'C24 H21 Fe P S3 '
_chemical_formula_moiety         'C24 H21 Fe P S3 '
_chemical_formula_structural     'C24 H21 Fe P S3 '
_chemical_formula_sum            'C24 H21 Fe P S3'
_chemical_formula_weight         492.43
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             1998-11-25
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                99.56(1)
_cell_angle_beta                 92.68(1)
_cell_angle_gamma                68.671(7)
_cell_formula_units_Z            2
_cell_length_a                   12.232(1)
_cell_length_b                   14.473(2)
_cell_length_c                   6.750(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      33.9
_cell_measurement_theta_min      28.4
_cell_volume                     1097.6(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
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_computing_structure_solution
;
SIR92 (Altomare, et. al. 1993)
;
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w
_diffrn_orient_matrix_UB_11      0.02475
_diffrn_orient_matrix_UB_12      -0.07486
_diffrn_orient_matrix_UB_13      -0.02068
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_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           'Cu K\a'
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_diffrn_reflns_limit_h_min       0
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_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -7
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_diffrn_reflns_reduction_process 'Lp corrections applied'
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_diffrn_reflns_theta_min         3.32
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_exptl_absorpt_coefficient_mu    8.922
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_exptl_absorpt_correction_type
;
\DF (DIFABS; Walker & Stuart, 1983)
;
_exptl_crystal_colour            yellow
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_refine_ls_extinction_coef       0.000005387
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
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_refine_ls_hydrogen_treatment    noref
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_refine_ls_shift/esd_max         0.1400
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0338
_reflns_number_gt                2482
_reflns_number_total             3262
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            808918csup1.cif
_cod_data_source_block           15
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00000|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1097.5(3)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C24 H21 Fe P S3 '
_cod_database_code               7027179