Low-dimensional compounds containing cyano groups. VI. A unique two- and one-dimensional structure in amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II) dihydrate
Potočňák, Ivan; Triščíková, Ľubica; Wagner, Christoph; Acta Crystallographica Section C 59 (2003) m249–m251; doi:10.1107/S0108270103010151

data_2013381
_publ_section_title
;
 Low-dimensional compounds containing cyano groups. VI. A unique two-
 and one-dimensional structure in
 amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II)
 dihydrate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m249
_journal_page_last               m251
_journal_paper_doi               10.1107/S0108270103010151
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Cu2 Ag4 (CN)8 (C4 H12 N2)2 (N H3)], 2H2 O'
_chemical_formula_moiety         'C16 H27 Ag4 Cu2 N13, 2H2 O'
_chemical_formula_sum            'C16 H31 Ag4 Cu2 N13 O2'
_chemical_formula_weight         996.10
_chemical_name_systematic
;amminebis(1,4-diaminobutane)tetrakis[dicyanoargentato(I)]dicopper(II)
 dihydrate
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 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                 113.84(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.862(6)
_cell_length_b                   16.541(5)
_cell_length_c                   10.210(12)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.64
_cell_measurement_theta_min      8.05
_cell_volume                     1523(2)
_computing_cell_refinement
;
STADI4 Diffractometer Control and Data Collection Software 1.06
;
_computing_data_collection
;
STADI4 Diffractometer Control and Data Collection Software 1.06 (Stoe & Cie,
1996)
;
_computing_data_reduction
;
X-RED 1.07 STOE Data Reduction Program (Stoe & Cie, 1996)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2000)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  STOE-STADI-IV
_diffrn_measurement_method       \q/2\q
_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  0.0615
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5248
_diffrn_reflns_theta_full        25.04
_diffrn_reflns_theta_max         25.04
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  '60 min'
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    3.928
_exptl_absorpt_correction_T_max  0.619
_exptl_absorpt_correction_T_min  0.422
_exptl_absorpt_correction_type   '\y scan'
_exptl_absorpt_process_details   'North et al., 1968'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.172
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.099
_refine_diff_density_min         -1.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     180
_refine_ls_number_reflns         2694
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0580
_refine_ls_R_factor_gt           0.0422
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0564P)^2^+0.251P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0998
_refine_ls_wR_factor_ref         0.1133
_reflns_number_gt                2160
_reflns_number_total             2694
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tr1059.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2013381
_cod_database_fobs_code          2013381