Crystal structure of an Ag<sup>I</sup> inter-calation compound: <i>catena</i>-poly[[silver(I)-μ-<i>N</i>-(pyridin-3-ylmeth-yl)pyridin-3-amine-κ<sup>2</sup><i>N</i>:<i>N</i>'] hexa-fluorido-phosphate aceto-nitrile disolvate].
Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1542–1545; doi:10.1107/S2056989017013421

data_2311439
_publ_section_title
;
 Crystal structure of an Ag<sup>I</sup> inter-calation compound:
 <i>catena</i>-poly[[silver(I)-\m-<i>N</i>-(pyridin-3-ylmeth-yl)pyridin-3-amine-\k<sup>2</sup><i>N</i>:<i>N</i>']
 hexa-fluorido-phosphate aceto-nitrile disolvate].
;
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1542
_journal_page_last               1545
_journal_paper_doi               10.1107/S2056989017013421
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Ag (C11 H11 N3)] P F6, 2C2 H3 N'
_chemical_formula_moiety         'C11 H11 N3 Ag +, F6 P -, 2(C2 H3 N)'
_chemical_formula_sum            'C15 H17 Ag F6 N5 P'
_chemical_formula_weight         520.17
_chemical_name_systematic
;<i>catena</i>-Poly[[silver(I)-\m-<i>N</i>-(pyridin-3-ylmethyl)pyridine-3-amine-\k^2^<i>N</i>:<i>N</i>'] hexafluoridophosphate
acetonitrile disolvate]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 102.9900(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8997(4)
_cell_length_b                   7.5361(3)
_cell_length_c                   20.9747(7)
_cell_measurement_reflns_used    5825
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.01
_cell_measurement_theta_min      2.88
_cell_volume                     1986.84(12)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 2010)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11824
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.998
_diffrn_reflns_theta_min         1.701
_exptl_absorpt_coefficient_mu    1.160
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6660
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_description       block
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.121
_refine_diff_density_min         -0.661
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         4316
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.0431
_refine_ls_R_factor_gt           0.0309
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+2.2488P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0707
_refine_ls_wR_factor_ref         0.0807
_reflns_number_gt                3527
_reflns_number_total             4316
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            su5393sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2311439
_shelx_estimated_absorpt_t_min   0.687
_shelx_estimated_absorpt_t_max   0.845
_shelx_hkl_checksum              51304
_shelx_res_checksum              44153