1,2,3-triphosphole derivatives as reactive intermediates.
Stubenhofer, Markus; Kuntz, Christian; Balázs, Gábor; Zabel, Manfred; Scheer, Manfred; Chemical communications (Cambridge, England) 34 (2009) 1745–1747; doi:10.1039/b822732b

data_7104287
_publ_section_title
;
 1,2,3-triphosphole derivatives as reactive intermediates.
;
_journal_issue                   13
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1745
_journal_page_last               1747
_journal_paper_doi               10.1039/b822732b
_journal_volume                  34
_journal_year                    2009
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C32 H10 As2 O20 P4 W4, C7 H8'
_chemical_formula_sum            'C39 H18 As2 O20 P4 W4'
_chemical_formula_weight         1815.61
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
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_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_atom_sites_solution_primary     direct
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_cell_angle_alpha                96.500(3)
_cell_angle_beta                 102.035(4)
_cell_angle_gamma                115.791(4)
_cell_formula_units_Z            2
_cell_length_a                   12.2685(5)
_cell_length_b                   12.4386(5)
_cell_length_c                   18.7689(7)
_cell_measurement_reflns_used    7899
_cell_measurement_temperature    123(1)
_cell_measurement_theta_max      62.0395
_cell_measurement_theta_min      2.4681
_cell_volume                     2453.6(2)
_computing_cell_refinement
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_collection
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CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_data_reduction
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
;
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      123(1)
_diffrn_detector_area_resol_mean 10.5431
_diffrn_measured_fraction_theta_full 0.970
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_diffrn_measurement_details
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1 omega -29.00 25.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -1.2571 45.0000 90.0000 0.0000 0.0000 54

2 omega -29.00 25.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -1.2571 45.0000 210.0000 0.0000 0.0000 54

3 omega 24.00 77.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 2.5071 45.0000 270.0000 0.0000 0.0000 53

4 omega 25.00 77.00 1.0000 1.5000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 2.5071 45.0000 120.0000 0.0000 0.0000 52

5 omega -158.00 -105.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 -45.0000 0.0000 0.0000 0.0000 53

6 omega -117.00 -61.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 115.0000 254.0000 0.0000 0.0000 56

7 omega -109.00 -56.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 -45.0000 330.0000 0.0000 0.0000 53

8 omega -111.00 -57.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
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9 omega -111.00 -8.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 45.0000 150.0000 0.0000 0.0000 103

10 omega -114.00 -59.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 108.0000 19.0000 0.0000 0.0000 55

11 omega -55.00 -6.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 0.0000 180.0000 0.0000 0.0000 49

12 omega -117.00 -4.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- -83.1433 77.0000 240.0000 0.0000 0.0000 113

13 omega 106.00 159.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 45.0000 60.0000 0.0000 0.0000 53

14 omega 74.00 111.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 -77.0000 240.0000 0.0000 0.0000 37

15 omega 57.00 135.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 45.0000 210.0000 0.0000 0.0000 78

16 omega 64.00 113.00 1.0000 3.0000
omega____ theta____ kappa____ phi______ omega'___ theta'___ frames
- 84.3933 -77.0000 0.0000 0.0000 0.0000 49

;
_diffrn_measurement_device_type  'Oxford Diffraction Gemini Ultra'
_diffrn_measurement_method       omega-scan
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0455
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
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_diffrn_reflns_theta_max         62.18
_diffrn_reflns_theta_min         2.47
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
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_exptl_absorpt_correction_T_min  0.019
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_exptl_absorpt_process_details
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CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.15 (release 10-01-2008 CrysAlis171 .NET)
(compiled Jan 10 2008,16:37:18)
Analytical absorption correction using crystal faces,
implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.458
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_exptl_crystal_size_min          0.196
_refine_diff_density_max         1.834
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_refine_ls_hydrogen_treatment    mixed
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_refine_ls_number_reflns         7523
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
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_refine_ls_R_factor_gt           0.0390
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0735P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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;
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               7104287