[3,3'-Dihydroxy-3,3'-bis(pyridin-3-yl-κ<i>N</i>)-1,1'-(pyridine-2,6-diyl)dipropan-1-one](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)
Dong, Jian-Yu; You, Tian-Pa; Acta Crystallographica Section E 67 (2011) m905–; doi:10.1107/S1600536811020472

data_2230626
_publ_section_title
;
 [3,3'-Dihydroxy-3,3'-bis(pyridin-3-yl-\k<i>N</i>)-1,1'-(pyridine-2,6-diyl)dipropan-1-one](nitrato-\k^2^<i>O</i>,<i>O</i>')silver(I)
;
_journal_coeditor_code           FF2013
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m905
_journal_paper_doi               10.1107/S1600536811020472
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (N O3) (C21 H15 N3 O4)]'
_chemical_formula_moiety         'C21 H15 Ag N4 O7'
_chemical_formula_sum            'C21 H15 Ag N4 O7'
_chemical_formula_weight         543.24
_chemical_name_systematic
;
[3,3'-Dihydroxy-3,3'-bis(pyridin-3-yl-\k<i>N</i>)-1,1'-(pyridine-2,6-
diyl)dipropan-1-one](nitrato-\k^2^<i>O</i>,<i>O</i>')silver(I)
;
_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           SHELXL97
_cell_angle_alpha                101.256(3)
_cell_angle_beta                 101.610(3)
_cell_angle_gamma                96.454(3)
_cell_formula_units_Z            2
_cell_length_a                   6.5972(14)
_cell_length_b                   12.572(3)
_cell_length_c                   12.731(3)
_cell_measurement_reflns_used    2396
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2.1
_cell_volume                     1001.7(4)
_computing_cell_refinement       'SMART (Bruker, 2005)'
_computing_data_collection       'SMART (Bruker, 2005)'
_computing_data_reduction        'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker SMART 1K 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  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0449
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5286
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    1.062
_exptl_absorpt_correction_T_max  0.8238
_exptl_absorpt_correction_T_min  0.7208
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.489
_refine_diff_density_min         -0.407
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3478
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0669
_refine_ls_R_factor_gt           0.0413
_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^)+(0.0450P)^2^+0.3559P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0902
_refine_ls_wR_factor_ref         0.1034
_reflns_number_gt                2396
_reflns_number_total             3478
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ff2013.cif
_cod_data_source_block           I
_cod_database_code               2230626
_cod_database_fobs_code          2230626