Bis(μ-2-cyanopyridine-<i>N</i>:<i>N</i>')bis[(2-cyanopyridine-<i>N</i>)silver(I)] bis(tetrafluoroborate): an anion-linked molecular ladder
Blake, Alexander J.; Champness, Neil R.; Nicolson, James E. B.; Wilson, Claire; Acta Crystallographica Section C 57 (2001) 1290–1291; doi:10.1107/S0108270101013956

data_2012347
_publ_section_title
;Bis(\m-2-cyanopyridine-<i>N</i>:<i>N</i>')bis[(2-cyanopyridine-<i>N</i>)silver(I)]
 bis(tetrafluoroborate): an anion-linked molecular ladder
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1290
_journal_page_last               1291
_journal_paper_doi               10.1107/S0108270101013956
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Ag2 (C6 H4 N2)4] (B F4)2'
_chemical_formula_moiety         'C24 H16 Ag2 N8 2+, 2B F4 -'
_chemical_formula_sum            'C24 H16 Ag2 B2 F8 N8'
_chemical_formula_weight         805.80
_chemical_name_common            '[Ag(2CNpy)(mu-2CNpy)]2(BF4)2'
_chemical_name_systematic
;
Bis(\m-2-cyanopyridine-N:N')bis[(2-cyanopyridine-N)silver(I)]
bis(tetrafluoroborate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.4270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3265(7)
_cell_length_b                   25.364(2)
_cell_length_c                   7.0865(6)
_cell_measurement_reflns_used    4803
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.61
_cell_measurement_theta_min      2.41
_cell_volume                     1373.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT and SHELXTL (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'SHELXL97 and PLATON (Spek, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full .973
_diffrn_measured_fraction_theta_max .878
_diffrn_measurement_device_type  'Bruker SMART1000 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     .71073
_diffrn_reflns_av_R_equivalents  .026
_diffrn_reflns_av_sigmaI/netI    .019
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            13628
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         29.04
_diffrn_reflns_theta_min         1.61
_diffrn_standards_decay_%        none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.513
_exptl_absorpt_correction_T_max  .717
_exptl_absorpt_correction_T_min  .641
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Siemens, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sphenoid
_exptl_crystal_F_000             784
_exptl_crystal_size_max          .33
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .14
_refine_diff_density_max         .52
_refine_diff_density_min         -.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.298
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3224
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.298
_refine_ls_R_factor_all          .0291
_refine_ls_R_factor_gt           .0266
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.014P)^2^+1.214P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0580
_reflns_number_gt                3035
_reflns_number_total             3224
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sk1494.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not recorded' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not recorded' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2012347
_cod_database_fobs_code          2012347