Crystal structure of poly[tetra-μ~2~-cyanido-1:2κ^8^<i>N</i>:<i>C</i>-bis(dimethyl sulfoxide-1κ<i>O</i>)diargentate(I)iron(II)]
Kucheriv, Olesia I.; Naumova, Dina D.; Tokmenko, Inna I.; Polunin, Ruslan A.; Terebilenko, Kateryna V.; Acta Crystallographica Section E 73 (2017) 270–272; doi:10.1107/S2056989017001049

data_2242068
_publ_section_title
;
 Crystal structure of
 poly[tetra-\m~2~-cyanido-1:2\k^8^<i>N</i>:<i>C</i>-bis(dimethyl
 sulfoxide-1\k<i>O</i>)diargentate(I)iron(II)]
;
_journal_coeditor_code           XU5899
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              270
_journal_page_last               272
_journal_paper_doi               10.1107/S2056989017001049
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Ag2 Fe (C N)4 (C2 H6 O S)2]'
_chemical_formula_moiety         'C8 H12 Ag2 Fe1 N4 O2 S2'
_chemical_formula_sum            'C8 H12 Ag2 Fe N4 O2 S2'
_chemical_formula_weight         531.93
_chemical_name_common
poly[bis(mu2-dicyanoargentato(I))bis(dimethylsulfoxide)iron(II)]
_chemical_name_systematic
;
Poly[tetra-\m~2~-cyanido-1:2\k^8^<i>N</i>:<i>C</i>-bis(dimethyl
sulfoxide-1\k<i>O</i>)diargentate(I)iron(II)]
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 116.053(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.4125(16)
_cell_length_b                   14.492(3)
_cell_length_c                   7.4679(14)
_cell_measurement_reflns_used    4840
_cell_measurement_temperature    243(2)
_cell_measurement_theta_max      26.209
_cell_measurement_theta_min      2.691
_cell_volume                     817.9(3)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
SMART (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg et al., 1999)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      243.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0449
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            16468
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.012
_diffrn_reflns_theta_min         1.405
_exptl_absorpt_coefficient_mu    3.501
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2013)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.160
_exptl_crystal_description       plate
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.417
_refine_diff_density_min         -1.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.162
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     91
_refine_ls_number_reflns         1970
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.162
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0312
_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^)+(0.0068P)^2^+2.7790P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0708
_reflns_number_gt                1726
_reflns_number_total             1970
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            xu5899sup1.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C8 H12 Ag2 Fe1 N4 O2 S2'
_cod_database_code               2242068
_cod_database_fobs_code 2242068