Bis[μ-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-κ<i>O</i>)silver(I)] acetonitrile disolvate
Guo, Ying; Cai, Hua; Acta Crystallographica Section E 69 (2013) m525–; doi:10.1107/S1600536813024021

data_2238636
_publ_section_title
;
 Bis[\m-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-\k<i>O</i>)silver(I)]
 acetonitrile disolvate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m525
_journal_paper_doi               10.1107/S1600536813024021
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ag2 (N O3)2 (C11 H8 Cl2 N4)2], 2C2 H3 N'
_chemical_formula_moiety         'C22 H16 Ag2 Cl4 N10 O6, 2(C2 H3 N)'
_chemical_formula_sum            'C26 H22 Ag2 Cl4 N12 O6'
_chemical_formula_weight         956.10
_chemical_name_systematic
;Bis[\m-1-(3,5-dichloropyridin-2-yl)-2-(pyridin-3-ylmethylidene)hydrazine]bis[(nitrato-\k<i>O</i>)silver(I)] acetonitrile
disolvate
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.3862(19)
_cell_length_b                   8.2397(10)
_cell_length_c                   27.198(4)
_cell_measurement_reflns_used    6506
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.09
_cell_measurement_theta_min      2.65
_cell_volume                     3448.1(8)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'XP in SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg & Berndt, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            16325
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    1.505
_exptl_absorpt_correction_T_max  0.7330
_exptl_absorpt_correction_T_min  0.6445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.842
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1888
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.662
_refine_diff_density_min         -0.497
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     227
_refine_ls_number_reflns         3041
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0493
_refine_ls_R_factor_gt           0.0389
_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^)+(0.0380P)^2^+14.4907P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1129
_reflns_number_gt                2498
_reflns_number_total             3041
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2636.cif
_cod_data_source_block           I
_cod_database_code               2238636