{4-[(Diphenylphosphino)methylamino]pyridinium-κ<i>P</i>}bis(nitrato-κ<i>O</i>)silver(I)
Shang, Jing; Gui, Liu-Cheng; Ni, Qing-Ling; Zhong, Min; Lian, Heng-Chi; Acta Crystallographica Section E 65 (2009) m1087–; doi:10.1107/S160053680903178X

data_2223189
_publ_section_title
{4-[(Diphenylphosphino)methylamino]pyridinium-\k<i>P</i>}bis(nitrato-\k<i>O</i>)silver(I)
_journal_coeditor_code           RZ2347
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1087
_journal_paper_doi               10.1107/S160053680903178X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag (C18 H18 N2 P) (N O3)2]'
_chemical_formula_moiety         'C18 H18 Ag N4 O6 P'
_chemical_formula_sum            'C18 H18 Ag N4 O6 P'
_chemical_formula_weight         525.20
_chemical_name_systematic
;
{4-[(Diphenylphosphino)methylamino]pyridinium-\k<i>P</i>}bis(nitrato-
\k<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           SHELXL-97
_cell_angle_alpha                86.170(2)
_cell_angle_beta                 89.170(2)
_cell_angle_gamma                69.439(2)
_cell_formula_units_Z            2
_cell_length_a                   7.9760(9)
_cell_length_b                   9.6895(11)
_cell_length_c                   14.1207(16)
_cell_measurement_reflns_used    5807
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      2.72
_cell_volume                     1019.5(2)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_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      173(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       \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  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8623
_diffrn_reflns_theta_full        27.03
_diffrn_reflns_theta_max         27.03
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    1.111
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.47
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.663
_refine_diff_density_min         -0.456
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4367
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0288
_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^)+(0.0737P)^2^+0.0727P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0876
_refine_ls_wR_factor_ref         0.1092
_reflns_number_gt                3802
_reflns_number_total             4367
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2347.cif
_cod_data_source_block           I
_cod_database_code               2223189
_cod_database_fobs_code          2223189