Crystal structure of μ-cyanido-1:2κ^2^<i>N</i>:<i>C</i>-dicyanido-1κ<i>C</i>,2κ<i>C</i>-bis(quinolin-8-amine-1κ^2^<i>N</i>,<i>N</i>')-2-silver(I)-1-silver(II): rare occurrence of a mixed-valence Ag^I,II^ compound
Setifi, Zouaoui; Bernès, Sylvain; Pérez, Olivier; Setifi, Fatima; Rouag, Djamil-Azzeddine; Acta Crystallographica Section E 71 (2015) 698–701; doi:10.1107/S2056989015009664

data_2240759
_publ_section_title
;
 Crystal structure of
 \m-cyanido-1:2\k^2^<i>N</i>:<i>C</i>-dicyanido-1\k<i>C</i>,2\k<i>C</i>-bis(quinolin-8-amine-1\k^2^<i>N</i>,<i>N</i>')-2-silver(I)-1-silver(II):
 rare occurrence of a mixed-valence Ag^I,II^ compound
;
_journal_coeditor_code           LH5764
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              698
_journal_page_last               701
_journal_paper_doi               10.1107/S2056989015009664
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Ag2 (C N)3 (C9 H8 N2)2]'
_chemical_formula_moiety         'C21 H16 Ag2 N7'
_chemical_formula_sum            'C21 H16 Ag2 N7'
_chemical_formula_weight         582.15
_chemical_name_systematic
\m-Cyanido-1:2\k^2^<i>N</i>:<i>C</i>-dicyanido-1\k<i>C</i>,2\k<i>C</i>-bis(quinolin-8-amine-1\k^2^<i>N</i>,<i>N</i>')-2-silver(I)-1-silver(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   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 94.767(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.5449(7)
_cell_length_b                   6.9385(3)
_cell_length_c                   22.3824(11)
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.65
_cell_measurement_theta_min      3.07
_cell_volume                     2096.25(17)
_computing_cell_refinement
;
APEX2 and SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
SHELXL-2014/7 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL-2014/7 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS-2014/7 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f & \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            27103
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.226
_diffrn_reflns_theta_min         4.211
_exptl_absorpt_coefficient_mu    1.891
_exptl_absorpt_correction_T_max  0.754
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2003)
;
_exptl_crystal_colour            deep-red
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_description       prism
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.272
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.184
_refine_diff_density_max         1.696
_refine_diff_density_min         -0.560
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     283
_refine_ls_number_reflns         7113
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0344
_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^)+(0.0430P)^2^+0.5603P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0878
_reflns_number_gt                5226
_reflns_number_total             7113
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh5764sup1.cf
_cod_data_source_block           I
_cod_database_code               2240759
_shelx_estimated_absorpt_t_min   0.627
_shelx_estimated_absorpt_t_max   0.722
_shelx_hkl_checksum              34363
_shelx_res_checksum              12209
_cod_database_fobs_code 2240759