A new polymorph of (<i>O</i>-ethyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(triphenylphosphine-κ<i>P</i>)silver(I)
Ara, Irene; El Bahij, Fatima; Lachkar, Mohamed; Ben Larbi, Najib; Acta Crystallographica Section C 59 (2003) m107–m108; doi:10.1107/S0108270103003445

data_2013176
_publ_section_title
;A new polymorph of (<i>O</i>-ethyl
 dithiocarbonato-\k^2^<i>S</i>,<i>S</i>')bis(triphenylphosphine-\k<i>P</i>)silver(I)
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m107
_journal_page_last               m108
_journal_paper_doi               10.1107/S0108270103003445
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Ag (C3 H5 O1 S2) (C18 H15 P)2]'
_chemical_formula_moiety         'C39 H35 Ag1 O1 P2 S2'
_chemical_formula_sum            'C39 H35 Ag O P2 S2'
_chemical_formula_weight         753.60
_chemical_name_systematic
;
(O-ethyldithiocarbonato-\k^2^S,S')bis(triphenylphosphine-\kP)silver(I)
;
_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           SHELXL97
_cell_angle_alpha                87.4320(10)
_cell_angle_beta                 74.9560(10)
_cell_angle_gamma                76.0670(10)
_cell_formula_units_Z            2
_cell_length_a                   10.3302(6)
_cell_length_b                   12.8582(7)
_cell_length_c                   13.8270(8)
_cell_measurement_reflns_used    4690
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.361
_cell_measurement_theta_min      2.258
_cell_volume                     1721.17(17)
_computing_cell_refinement       'SAINT-Plus (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT-Plus (Bruker, 1999)'
_computing_molecular_graphics    'XP, SHELXTL (Bruker, 2000)'
_computing_publication_material  'XCIF, SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       \w-scan
_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  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0531
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10445
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.41
_diffrn_reflns_theta_min         1.53
_exptl_absorpt_coefficient_mu    0.830
_exptl_absorpt_correction_T_max  0.8786
_exptl_absorpt_correction_T_min  0.8193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.454
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.790
_refine_diff_density_min         -0.493
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6873
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0289P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0654
_refine_ls_wR_factor_ref         0.0671
_reflns_number_gt                5720
_reflns_number_total             6873
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jz1546.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C39 H35 Ag1 O1 P2 S2'
_cod_database_code               2013176
_cod_database_fobs_code          2013176