Bis(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')silver(I) perchlorate
Onuegbu, Jonathan; Butcher, Ray J.; Hosten, Charles; Udeochu, Uche Charles; Bakare, Oladapo; Acta Crystallographica Section E 63 (2007) m2309–m2310; doi:10.1107/S1600536807037580

data_2215072
_publ_section_title
;
 Bis(1,10-phenanthroline-5,6-dione-\k^2^<i>N</i>,<i>N</i>')silver(I)
 perchlorate
;
_journal_coeditor_code           CS2045
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2309
_journal_page_last               m2310
_journal_paper_doi               10.1107/S1600536807037580
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C12 H6 N2 O2)2] Cl O4'
_chemical_formula_moiety         'C24 H12 Ag N4 O4, Cl O4'
_chemical_formula_sum            'C24 H12 Ag Cl N4 O8'
_chemical_formula_weight         627.70
_chemical_name_systematic
;
Bis(1,10-phenanthroline-5,6-dione-\k^2^N,N')silver(I) perchlorate
;
_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                112.525(3)
_cell_angle_beta                 103.682(4)
_cell_angle_gamma                97.378(4)
_cell_formula_units_Z            2
_cell_length_a                   8.493(2)
_cell_length_b                   11.260(3)
_cell_length_c                   13.190(4)
_cell_measurement_reflns_used    6560
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      29.86
_cell_measurement_theta_min      2.55
_cell_volume                     1097.9(5)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'APEX2 (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.911
_diffrn_measurement_device_type  'Bruker APEX II CCD area-detector'
_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  0.0666
_diffrn_reflns_av_sigmaI/netI    0.0960
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11431
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.36
_diffrn_reflns_theta_min         2.02
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.104
_exptl_absorpt_correction_T_max  0.8789
_exptl_absorpt_correction_T_min  0.6791
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.899
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.359
_refine_diff_density_min         -1.632
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         6019
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0809
_refine_ls_R_factor_gt           0.0657
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.107P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1715
_refine_ls_wR_factor_ref         0.1838
_reflns_number_gt                4791
_reflns_number_total             6019
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cs2045.cif
_cod_data_source_block           I
_cod_original_cell_volume        1097.8(5)
_cod_database_code               2215072
_cod_database_fobs_code          2215072