Crystal structure of poly[(2,2'-bi-pyridine-κ(2) N,N')tetra-μ2-cyanido-κ(4) C:N;κ(4) N:C-manganese(II)disilver(I)].
Theppitak, Chatphorn; Chainok, Kittipong; Acta crystallographica. Section E, Crystallographic communications 71 (2015) m179–80; doi:10.1107/S205698901501676X

data_2311305
_publ_section_title
;
 Crystal structure of poly[(2,2'-bi-pyridine-\k(2)
 N,N')tetra-\m2-cyanido-\k(4) C:N;\k(4) N:C-manganese(II)disilver(I)].
;
_journal_coeditor_code           VN2098
_journal_issue                   'Pt 10'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              m179
_journal_page_last               80
_journal_paper_doi               10.1107/S205698901501676X
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Ag2 Mn (C N)4 (C10 H8 N2)]'
_chemical_formula_moiety         'C14 H8 Ag2 Mn N6'
_chemical_formula_sum            'C14 H8 Ag2 Mn N6'
_chemical_formula_weight         530.94
_chemical_name_systematic
Poly[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')tetra-\m~2~-cyanido-\k^4^<i>C</i>:<i>N</i>;\k^4^<i>N</i>:<i>C</i>-manganese(II)disilver(I)]
_space_group_crystal_system      trigonal
_space_group_IT_number           151
_space_group_name_Hall           'P 31 2 (0 0 4)'
_space_group_name_H-M_alt        'P 31 1 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.7215(3)
_cell_length_b                   8.7215(3)
_cell_length_c                   20.9874(9)
_cell_measurement_reflns_used    720
_cell_measurement_temperature    296
_cell_measurement_theta_max      26.343
_cell_measurement_theta_min      3.323
_cell_volume                     1382.52(9)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
publCIF (Westrip, 2010) and enCIFer (Allen <i>et al.</i>,  2004)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
<i>SHELXT</i> (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296.0
_diffrn_detector_area_resol_mean 10.5
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'four-circle KAPPA diffractometer'
_diffrn_measurement_device_type  'Bruker D8 QUEST CMOS'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'graphiteDouble Bounce Multilayer Mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0239
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            25845
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.343
_diffrn_reflns_theta_min         3.323
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.783
_exptl_absorpt_correction_T_max  0.542
_exptl_absorpt_correction_T_min  0.484
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker,2014)
;
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.913
_exptl_crystal_description       block
_exptl_crystal_F_000             759
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.150
_refine_diff_density_min         -0.280
_refine_ls_abs_structure_details
;
Flack <i>x</i> determined using 824 quotients
[(<i>I</i>^+^)-(<i>I</i>^-^)]/[(<i>I</i>^+^)+(<i>I</i>^-^)]
(Parsons <i>et al.</i>,  2013)
;
_refine_ls_abs_structure_Flack   0.037(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     105
_refine_ls_number_reflns         1874
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.0153
_refine_ls_R_factor_gt           0.0150
_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^)+(0.0231P)^2^+0.1949P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0381
_refine_ls_wR_factor_ref         0.0383
_reflns_number_gt                1856
_reflns_number_total             1874
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            vn2098sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1382.52(13)
_cod_original_sg_symbol_Hall     'P 31 2c (0 0 1)'
_cod_database_code               2311305
_shelx_hkl_checksum              66199
_shelx_res_checksum              80072