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_7007790
_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            'C48 H80 As4 Cu4 P4 S4'
_chemical_formula_weight         1463.08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                63.637(6)
_cell_angle_beta                 64.437(6)
_cell_angle_gamma                77.138(6)
_cell_formula_units_Z            1
_cell_length_a                   11.8503(9)
_cell_length_b                   12.4641(9)
_cell_length_c                   12.6238(10)
_cell_measurement_reflns_used    20635
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      56.51
_cell_measurement_theta_min      3.61
_cell_volume                     1506.0(2)
_computing_cell_refinement       'stoe x-area'
_computing_data_collection       'stoe x-area'
_computing_data_reduction        'stoe x-area'
_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 0.942
_diffrn_measured_fraction_theta_max 0.910
_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  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0684
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13441
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    3.849
_exptl_absorpt_correction_T_max  0.5132
_exptl_absorpt_correction_T_min  0.3914
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   x-red32
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.613
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             740
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.289
_refine_diff_density_min         -0.973
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         6856
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0525
_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^)+(0.0700P)^2^+2.8279P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1365
_refine_ls_wR_factor_ref         0.1454
_reflns_number_gt                5150
_reflns_number_total             6856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b610228j.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7007790