Bis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')silver(I) tetrafluoridoborate
Onuegbu, Jonathan; Butcher, Ray J.; Hosten, Charles; Udeochu, Uche Charles; Bakare, Oladapo; Acta Crystallographica Section E 65 (2009) m1119–m1120; doi:10.1107/S160053680903222X

data_2223221
_publ_section_title
;
 Bis(1,10-phenanthroline-5,6-dione-\k^2^<i>N</i>,<i>N</i>')silver(I)
 tetrafluoridoborate
;
_journal_coeditor_code           WM2249
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1119
_journal_page_last               m1120
_journal_paper_doi               10.1107/S160053680903222X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C12 H6 N2 O2)2] B F4'
_chemical_formula_moiety         'C24 H12 Ag N4 O4 +, B F4 -'
_chemical_formula_sum            'C24 H12 Ag B F4 N4 O4'
_chemical_formula_weight         615.06
_chemical_name_systematic
;
Bis(1,10-phenanthroline-5,6-dione-\k^2^<i>N</i>,<i>N</i>')silver(I)
tetrafluoridoborate
;
_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                 108.481(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2249(6)
_cell_length_b                   12.0115(17)
_cell_length_c                   14.4338(7)
_cell_measurement_reflns_used    5444
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      32.4393
_cell_measurement_theta_min      4.5501
_cell_volume                     2174.6(3)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 10.5081
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.925
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R'
_diffrn_measurement_method       '\f and \w'
_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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0480
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11815
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.50
_diffrn_reflns_theta_min         4.57
_diffrn_standards_decay_%        <2%
_diffrn_standards_interval_count 50
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.005
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2007)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.807
_refine_diff_density_min         -1.393
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3647
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.087P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1254
_refine_ls_wR_factor_ref         0.1340
_reflns_number_gt                2306
_reflns_number_total             3647
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2249.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2223221
_cod_database_fobs_code          2223221