Tetrakis(triphenylarsane-κ<i>As</i>)silver(I) trifluoroacetate hemihydrate methanol hemisolvate
Ng, Seik Weng; Acta Crystallographica Section E 68 (2012) m1537–; doi:10.1107/S1600536812045072

data_2237072
_publ_section_title
;
 Tetrakis(triphenylarsane-\k<i>As</i>)silver(I) trifluoroacetate
 hemihydrate methanol hemisolvate
;
_journal_coeditor_code           XU5641
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1537
_journal_paper_doi               10.1107/S1600536812045072
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Ag (C18 H15 As)4] (C2 F3 O2), 0.5C H4 O, 0.5H2 O'
_chemical_formula_moiety
'C72 H60 Ag1 As4 +, C2 F3 O2 -, 0.5C H4 O, 0.5H2 O'
_chemical_formula_sum            'C74.5 H63 Ag As4 F3 O3'
_chemical_formula_weight         1470.80
_chemical_name_systematic
;
Tetrakis(triphenylarsane-\k<i>As</i>)silver(I) trifluoroacetate hemihydrate
methanol hemisolvate
;
_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                88.893(2)
_cell_angle_beta                 85.7820(10)
_cell_angle_gamma                86.8080(10)
_cell_formula_units_Z            2
_cell_length_a                   11.9069(2)
_cell_length_b                   14.5530(3)
_cell_length_c                   18.5573(4)
_cell_measurement_reflns_used    4258
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.4849
_cell_measurement_theta_min      2.2028
_cell_volume                     3201.57(11)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       '\w scans'
_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  0.0581
_diffrn_reflns_av_sigmaI/netI    0.0857
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            48380
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.10
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.423
_exptl_absorpt_correction_T_max  0.7764
_exptl_absorpt_correction_T_min  0.6177
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(TWINABS; Bruker, 2009)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.077
_refine_diff_density_min         -0.561
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     838
_refine_ls_number_reflns         14449
_refine_ls_number_restraints     197
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0263P)^2^+7.5548P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0950
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                10289
_reflns_number_total             14449
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5641.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C74.50 H63 Ag As4 F3 O3'
_cod_database_code               2237072
_cod_database_fobs_code          2237072