Double interpenetrated structure of poly[tetra-μ~2~-cyanido-bis(μ~2~-1,2-di-4-pyridylethane)manganese(II)disilver(I)]
Kawasaki, Takeshi; Kitazawa, Takafumi; Acta Crystallographica Section E 63 (2007) m2215–m2216; doi:10.1107/S1600536807034897

data_2214739
_publ_section_title
;Double interpenetrated structure of
 poly[tetra-\m~2~-cyanido-bis(\m~2~-1,2-di-4-pyridylethane)manganese(II)disilver(I)]
;
_journal_coeditor_code           HK2295
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2215
_journal_page_last               m2216
_journal_paper_doi               10.1107/S1600536807034897
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag2 Mn (C N)4 (C12 H12 N2)2]'
_chemical_formula_moiety         'C28 H24 Ag2 Mn N8'
_chemical_formula_sum            'C28 H24 Ag2 Mn N8'
_chemical_formula_weight         743.23
_chemical_name_systematic
;
poly[tetra-\m~2~-cyanido-bis(\m~2~-1,2-di-4-
pyridylethane)manganese(II)disilver(I)]
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.550(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1784(11)
_cell_length_b                   13.2446(16)
_cell_length_c                   11.9536(14)
_cell_measurement_reflns_used    4339
_cell_measurement_temperature    298
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.30
_cell_volume                     1452.6(3)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0217
_diffrn_reflns_av_sigmaI/netI    0.0250
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10581
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_number         151
_exptl_absorpt_coefficient_mu    1.795
_exptl_absorpt_correction_T_max  0.8270
_exptl_absorpt_correction_T_min  0.6625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.699
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             734
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.581
_refine_diff_density_min         -0.456
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     178
_refine_ls_number_reflns         3598
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0259
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0319P)^2^+0.3909P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0662
_reflns_number_gt                2884
_reflns_number_total             3598
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2295.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2214739
_cod_database_fobs_code          2214739