μ~3~-(<i>O</i>,<i>O</i>'-Diethyl dithiophosphato-2κ<i>S</i>,3:4κ^2^<i>S</i>')-di-μ~3~-sulfido-1:2:3κ^3^<i>S</i>;1:2:4κ^3^<i>S</i>-μ-sulfido-1:3κ^2^<i>S</i>-sulfido-1κ<i>S</i>-tris(triphenylphosphine)-2κ<i>P</i>;3κ<i>P</i>;4κ<i>P</i>-molybdenumtrisilver
Du, S.; Wu, X.; Acta Crystallographica Section C 50 (1994) 700–702; doi:10.1107/S0108270193010510

data_2009669
_publ_section_title
;\m~3~-(<i>O</i>,<i>O</i>'-Diethyl
 dithiophosphato-2\k<i>S</i>,3:4\k^2^<i>S</i>')-di-\m~3~-sulfido-1:2:3\k^3^<i>S</i>;1:2:4\k^3^<i>S</i>-\m-sulfido-1:3\k^2^<i>S</i>-sulfido-1\k<i>S</i>-tris(triphenylphosphine)-2\k<i>P</i>;3\k<i>P</i>;4\k<i>P</i>-molybdenumtrisilver
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              700
_journal_page_last               702
_journal_paper_doi               10.1107/S0108270193010510
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C58 H55 Ag3 Mo O2 P4 S6'
_chemical_formula_weight         1519.87
_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_type_scat_source           'Cromer & Waber (1974)'
_cell_angle_alpha                101.030(10)
_cell_angle_beta                 107.200(10)
_cell_angle_gamma                77.250(10)
_cell_formula_units_Z            2
_cell_length_a                   13.576(2)
_cell_length_b                   20.603(3)
_cell_length_c                   11.675(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      15
_cell_volume                     3014.6(8)
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11094
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 250
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.494
_exptl_absorpt_correction_T_max  1.1318
_exptl_absorpt_correction_T_min  0.7094
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Dark red'
_exptl_crystal_density_diffrn    1.67
_exptl_crystal_description       Cubic
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.06
_refine_diff_density_min         -0.86
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.17
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     377
_refine_ls_number_reflns         5691
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.34
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~o~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.087
_reflns_number_observed          5691
_reflns_number_total             10603
_reflns_observed_criterion       I>5\s(I)
_cod_data_source_file            al1055.cif
_cod_data_source_block           al1055_structure_1_of_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F~o~)' 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^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3014.6(9)
_cod_database_code               2009669