Acetatotris(triphenylarsine)silver(I) acetonitrile solvate monohydrate
Meijboom, Reinout; Muller, Alfred; Acta Crystallographica Section E 63 (2007) m2572–m2572; doi:10.1107/S1600536807044595

data_2215560
_publ_section_title
;
 Acetatotris(triphenylarsine)silver(I) acetonitrile solvate monohydrate
;
_journal_coeditor_code           IM2035
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2572
_journal_page_last               m2572
_journal_paper_doi               10.1107/S1600536807044595
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C2 H3 O2) (C18 H15 As)3],C2 H3 N, H2 O'
_chemical_formula_moiety         'C56 H48 Ag As3 O2, C2 H3 N, H2 O'
_chemical_formula_sum            'C58 H53 Ag As3 N O3'
_chemical_formula_weight         1144.64
_chemical_name_systematic
;
Acetatotris(triphenylarsine)silver(I) acetonitrile solvate monohydrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                83.625(5)
_cell_angle_beta                 86.621(5)
_cell_angle_gamma                79.662(5)
_cell_formula_units_Z            2
_cell_length_a                   13.121(5)
_cell_length_b                   13.739(5)
_cell_length_c                   14.051(5)
_cell_measurement_reflns_used    7711
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      28.3
_cell_measurement_theta_min      2.21
_cell_volume                     2474.5(16)
_computing_cell_refinement       'Saint-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT-Plus and XPREP (Bruker 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2004)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      101(2)
_diffrn_detector_area_resol_mean 512
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type
;
Bruker X8 APEXII
;
_diffrn_measurement_method       '\w and \f'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            66588
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.444
_exptl_absorpt_correction_T_max  0.4945
_exptl_absorpt_correction_T_min  0.4317
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1156
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.701
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.201
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         12287
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.202
_refine_ls_R_factor_gt           0.022
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0394P)^2^+0.6766P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0752
_reflns_number_gt                11117
_reflns_number_total             12287
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            im2035.cif
_cod_data_source_block           I
_cod_original_cell_volume        2475(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2215560
_cod_database_fobs_code          2215560