Tetrakis[μ-1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-κ^2^<i>N</i>:<i>N</i>']trisilver(I) tris(hexafluoridophosphate)
Yeh, Chun-Wei; Ho, Yuh-Wen; Lee, Hsun-Tsing; Wang, Ju-Chun; Suen, Maw-Cherng; Acta Crystallographica Section E 68 (2012) m1170–; doi:10.1107/S1600536812034721

data_2236339
_publ_section_title
;
 Tetrakis[\m-1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-\k^2^<i>N</i>:<i>N</i>']trisilver(I)
 tris(hexafluoridophosphate)
;
_journal_coeditor_code           HY2575
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1170
_journal_paper_doi               10.1107/S1600536812034721
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag3 (C12 H12 N2 O2)4] (P F6)3'
_chemical_formula_moiety         'C48 H48 Ag3 N8 O8 3+, 3(F6 P -)'
_chemical_formula_sum            'C48 H48 Ag3 F18 N8 O8 P3'
_chemical_formula_weight         1623.46
_chemical_name_systematic
;
Tetrakis[\m-1,3-bis(4,5-dihydro-1,3-oxazol-2-yl)benzene-
\k^2^<i>N</i>:<i>N</i>']trisilver(I) tris(hexafluoridophosphate)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.014(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.7473(16)
_cell_length_b                   11.4521(19)
_cell_length_c                   24.1382(15)
_cell_measurement_reflns_used    36
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12.53
_cell_measurement_theta_min      4.82
_cell_volume                     5651.0(11)
_computing_cell_refinement       'XSCANS (Siemens, 1995)'
_computing_data_collection       'XSCANS (Siemens, 1995)'
_computing_data_reduction        'XSCANS (Siemens, 1995)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Siemens P4 four-circle'
_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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            5107
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.99
_diffrn_standards_decay_%        2.03
_diffrn_standards_interval_count 297
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.234
_exptl_absorpt_correction_T_max  0.9642
_exptl_absorpt_correction_T_min  0.6343
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(XSCANS; Siemens, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.908
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3216
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.809
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     425
_refine_ls_number_reflns         4976
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0668
_refine_ls_R_factor_gt           0.0503
_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^)+(0.0628P)^2^+34.3783P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1250
_refine_ls_wR_factor_ref         0.1366
_reflns_number_gt                3885
_reflns_number_total             4976
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2575.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2236339
_cod_database_fobs_code          2236339