Copper-mediated cleavage of disulfides by tertiary phosphines: a new route to As-S anions.
Langer, Robert; Shi, Weifeng; Rothenberger, Alexander; Dalton transactions (Cambridge, England : 2003)  (2006) 4435–4437; doi:10.1039/b610228j

data_7007791
_publ_section_title
;
 Copper-mediated cleavage of disulfides by tertiary phosphines: a new
 route to As-S anions.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4435
_journal_page_last               4437
_journal_paper_doi               10.1039/b610228j
_journal_year                    2006
_chemical_formula_sum            'C108 H105 As4 Cu4 O3 P4 S6'
_chemical_formula_weight         2321.00
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.870(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.626(2)
_cell_length_b                   19.8281(9)
_cell_length_c                   19.0953(10)
_cell_measurement_reflns_used    25027
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      54.24
_cell_measurement_theta_min      2.98
_cell_volume                     9932.0(10)
_computing_cell_refinement       'stoe winxarea'
_computing_data_collection       'stoe winxarea'
_computing_data_reduction        'stoe winxarea'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.935
_diffrn_measured_fraction_theta_max 0.916
_diffrn_measurement_device_type  'stoe ipds 2'
_diffrn_measurement_method       rotation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_sigmaI/netI    0.1118
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            31368
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.14
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    2.410
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4724
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.534
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.939
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1162
_refine_ls_number_reflns         20179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.939
_refine_ls_R_factor_all          0.1014
_refine_ls_R_factor_gt           0.0516
_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^)+(0.0500P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1174
_reflns_number_gt                12400
_reflns_number_total             20179
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b610228j.txt
_cod_data_source_block           2
_cod_original_cell_volume        9931.9(10)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7007791