Crystal structure of a helical silver(I) coordination polymer based on an unsymmetrical dipyridyl ligand: <i>catena</i>-poly[[silver(I)-<i>{μ</i>}-<i>N</i>-(pyridine-4-ylmethyl)pyridine-3-amine-<i>{κ</i>}^2^<i>N</i>:<i>N</i>'] tetrafluoridoborate methanol hemisolvate]
Moon, Suk-Hee; Kang, Youngjin; Park, Ki-Min; Acta Crystallographica Section E 71 (2015) 1287–1289; doi:10.1107/S205698901501837X

data_2241188
_publ_section_title
;
 Crystal structure of a helical silver(I) coordination polymer based on an
 unsymmetrical dipyridyl ligand:
 <i>catena</i>-poly[[silver(I)-<i>{\m</i>}-<i>N</i>-(pyridine-4-ylmethyl)pyridine-3-amine-<i>{\k</i>}^2^<i>N</i>:<i>N</i>']
 tetrafluoridoborate methanol hemisolvate]
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1287
_journal_page_last               1289
_journal_paper_doi               10.1107/S205698901501837X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac
;
[Ag (C11 H11 N3)] (B F4) , 0.5C H4 O
;
_chemical_formula_moiety
;
C11 H11 Ag N3, B F4, 0.5(C H4 O)
;
_chemical_formula_sum            'C11.5 H13 Ag B F4 N3 O0.5'
_chemical_formula_weight         395.93
_chemical_name_systematic
;<i>catena</i>-Poly[[silver(I)-<i>\m</i>-<i>N</i>-(pyridine-4-ylmethyl)pyridine-3-amine-<i>\k</i>^2^<i>N</i>:<i>N</i>'] tetrafluoridoborate methanol
hemisolvate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 107.185(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2597(8)
_cell_length_b                   15.6485(14)
_cell_length_c                   10.3574(10)
_cell_measurement_reflns_used    2696
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.72
_cell_measurement_theta_min      2.44
_cell_volume                     1433.8(2)
_computing_cell_refinement
;
<i>SAINT-Plus</i>   (Bruker, 2000)
;
_computing_data_collection
;
<i>SMART</i>   (Bruker, 2000)
;
_computing_data_reduction
;
<i>SAINT-Plus</i> (Bruker, 2000)
;
_computing_molecular_graphics
;
<i>DIAMOND</i> (Brandenburg, 2005)
;
_computing_publication_material
;
<i>SHELXTL</i> (Sheldrick, 2008)
;
_computing_structure_refinement
;
<i>SHELXL97</i> (Sheldrick, 2008)
;
_computing_structure_solution
;
<i>SHELXS97</i> (Sheldrick, 2008)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0769
_diffrn_reflns_av_sigmaI/netI    0.0621
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8014
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    1.447
_exptl_absorpt_correction_T_max  0.5952
_exptl_absorpt_correction_T_min  0.5314
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2000)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.834
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             780
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.176
_refine_diff_density_min         -0.699
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         2821
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0526
_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^)+(0.1027P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1473
_refine_ls_wR_factor_ref         0.1672
_reflns_number_gt                1883
_reflns_number_total             2821
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            cv5498sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C11.50 H13 Ag B F4 N3 O0.50'
_cod_database_code               2241188
_cod_database_fobs_code          2241188