Bis(cyanido-κ<i>C</i>)(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')silver(II)
Ahmad, Saeed; Monim-ul-Mehboob, Muhammad; Hanif, Muhammad; Altaf, Muhammad; Stoeckli-Evans, Helen; Acta Crystallographica Section E 63 (2007) m2548–m2548; doi:10.1107/S1600536807044431

data_2215584
_publ_section_title
Bis(cyanido-\k<i>C</i>)(ethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')silver(II)
_journal_coeditor_code           LH2497
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2548
_journal_page_last               m2548
_journal_paper_doi               10.1107/S1600536807044431
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C N)2 (C2 H8 N2)]'
_chemical_formula_moiety         'C4 H8 Ag N4'
_chemical_formula_sum            'C4 H8 Ag N4'
_chemical_formula_weight         220.01
_chemical_name_systematic
;
Bis(cyanido-\kC)(ethane-1,2-diamine-\k^2^N,N')silver(II)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9140(8)
_cell_length_b                   9.3481(11)
_cell_length_c                   11.0289(11)
_cell_measurement_reflns_used    6960
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.66
_cell_measurement_theta_min      1.80
_cell_volume                     712.83(14)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2005)'
_computing_molecular_graphics    'PLATON  (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe IPDS II'
_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  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0142
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6842
_diffrn_reflns_theta_full        29.14
_diffrn_reflns_theta_max         29.14
_diffrn_reflns_theta_min         2.86
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.744
_exptl_absorpt_correction_T_max  0.760
_exptl_absorpt_correction_T_min  0.539
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULABS in PLATON; Spek, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.050
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.507
_refine_ls_abs_structure_details
'Flack (1983), with 784 Friedel pairs (99.7%)'
_refine_ls_abs_structure_Flack   0.28(4)
_refine_ls_extinction_coef       0.0269(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL 97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     84
_refine_ls_number_reflns         1913
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0166
_refine_ls_R_factor_gt           0.0163
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0247P)^2^+0.4752P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0419
_refine_ls_wR_factor_ref         0.0420
_reflns_number_gt                1889
_reflns_number_total             1913
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2497.cif
_cod_data_source_block           I
_cod_database_code               2215584
_cod_database_fobs_code          2215584