Cu~2~(dien)~2~Ag~5~(CN)~9~ containing the one-dimensional polymeric cation [Cu(dien)Ag(CN)~2~]~<i>n~</i>^<i>n^+</i> and the unusual [Ag~2~(CN)~3~]^{-^} anion (dien is diethylenetriamine)
Černák, Juraj; Chomič, Jozef; Massa, Werner; Acta Crystallographica Section C 58 (2002) m490–m493; doi:10.1107/S0108270102013240

data_2012978
_publ_section_title
;
 Cu~2~(dien)~2~Ag~5~(CN)~9~ containing the one-dimensional polymeric
 cation [Cu(dien)Ag(CN)~2~]~<i>n~</i>^<i>n^+</i> and the unusual
 [Ag~2~(CN)~3~]^{-^} anion (dien is diethylenetriamine)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m490
_journal_page_last               m493
_journal_paper_doi               10.1107/S0108270102013240
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac
'[Cu (C4 H13 N3) Ag (C N)2]2 [Ag (C N)2] [Ag2 (C N)3]'
_chemical_formula_moiety
'2C6 H13 Ag Cu N5 + , C2 Ag N2 - , C3 Ag2 N3 -'
_chemical_formula_sum            'C17 H26 Ag5 Cu2 N15'
_chemical_formula_weight         1106.96
_chemical_name_systematic
;
catena-poly[bis[[\m-cyano-1:2\k^2^C:N-diethylenetriamine-
2\k^3^N-copper(II)silver(I)]-\m-cyano-1:2'\k^2^C:N] dicyanosilver(I)
tricyanodisilver(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           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 90.794(11)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.5588(12)
_cell_length_b                   17.8070(12)
_cell_length_c                   6.9608(6)
_cell_measurement_reflns_used    8000
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.25
_cell_measurement_theta_min      2.80
_cell_volume                     1556.5(2)
_computing_cell_refinement       'CELL in IPDS'
_computing_data_collection       'EXPOSE in IPDS (Stoe & Cie, 1999)'
_computing_data_reduction        'INTEGRATE in IPDS'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.96
_diffrn_measured_fraction_theta_max 0.96
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       \f
_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  0.056
_diffrn_reflns_av_sigmaI/netI    0.051
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            18169
_diffrn_reflns_theta_full        30.25
_diffrn_reflns_theta_max         30.25
_diffrn_reflns_theta_min         2.80
_diffrn_standards_decay_%        negligible
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.454
_exptl_absorpt_correction_T_max  0.809
_exptl_absorpt_correction_T_min  0.414
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(SHELXTL; Sheldrick, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.362
_exptl_crystal_density_meas      2.360(10)
_exptl_crystal_density_method    flotation
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.83
_refine_diff_density_min         -0.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.876
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     219
_refine_ls_number_reflns         4462
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.876
_refine_ls_R_factor_all          0.058
_refine_ls_R_factor_gt           0.031
_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^)+(0.0352P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.061
_refine_ls_wR_factor_ref         0.067
_reflns_number_gt                2988
_reflns_number_total             4462
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg1124.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2012978
_cod_database_fobs_code          2012978