The Phosphaalkene-like Reactivity of Dithienophosphinines
Huy, Ngoc Hoa Tran; Donnadieu, Bruno; Mathey, François; Organometallics 27 (2008) 4005–; doi:10.1021/om8003256

data_4071705
_publ_section_title
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 The Phosphaalkene-like Reactivity of Dithienophosphinines
;
_journal_issue                   15
_journal_name_full               Organometallics
_journal_page_first              4005
_journal_paper_doi               10.1021/om8003256
_journal_volume                  27
_journal_year                    2008
_chemical_formula_sum            'C19 H17 P S3'
_chemical_formula_weight         372.48
_chemical_name_systematic
;

 ?

;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.068(4)
_cell_angle_beta                 92.171(3)
_cell_angle_gamma                114.772(2)
_cell_formula_units_Z            2
_cell_length_a                   8.0053(3)
_cell_length_b                   8.6885(4)
_cell_length_c                   14.3922(9)
_cell_measurement_reflns_used    5054
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.57
_cell_measurement_theta_min      2.68
_cell_volume                     875.37(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15730
_diffrn_reflns_theta_full        33.70
_diffrn_reflns_theta_max         33.70
_diffrn_reflns_theta_min         2.68
_exptl_absorpt_coefficient_mu    0.511
_exptl_absorpt_correction_T_max  0.9413
_exptl_absorpt_correction_T_min  0.8536
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             388
_exptl_crystal_size_max          0.32
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         6921
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_refine_ls_R_factor_all          0.0589
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+0.2270P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1135
_reflns_number_gt                5345
_reflns_number_total             6921
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om8003256-file002.cif
_cod_data_source_block           hoa0320-8_final
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4071705