Bis[μ-1,2-diphenyl-<i>N</i>,<i>N</i>'-bis(di-2-pyridylmethyleneamino)ethane-1,2-diimine]disilver(I) bis(hexafluoridophosphate) acetonitrile disolvate
Sun, Qiaozhen; Xiao, Tao; Chen, Ping; Gan, Xiaoqiang; Bao, Lin; Acta Crystallographica Section E 65 (2009) m1637–m1638; doi:10.1107/S160053680904882X

data_2224159
_publ_section_title
;Bis[\m-1,2-diphenyl-<i>N</i>,<i>N</i>'-bis(di-2-pyridylmethyleneamino)ethane-1,2-diimine]disilver(I)
 bis(hexafluoridophosphate) acetonitrile disolvate
;
_journal_coeditor_code           CS2124
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1637
_journal_page_last               m1638
_journal_paper_doi               10.1107/S160053680904882X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag2 (C36 H26 N8)2] (P F6)2, 2C2 H3 N'
_chemical_formula_moiety         'C72 H52 Ag2 N16 2+, 2(F6 P -), 2(C2 H3 N)'
_chemical_formula_sum            'C76 H58 Ag2 F12 N18 P2'
_chemical_formula_weight         1729.08
_chemical_name_systematic
;
Bis[\m-1,2-diphenyl-<i>N</i>,<i>N</i>'-bis(di-2-
pyridylmethyleneamino)ethane-1,2-diimine]disilver(I)
bis(hexafluoridophosphate) acetonitrile disolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                110.037(4)
_cell_angle_beta                 90.798(4)
_cell_angle_gamma                101.192(4)
_cell_formula_units_Z            1
_cell_length_a                   11.595(2)
_cell_length_b                   12.544(3)
_cell_length_c                   13.893(3)
_cell_measurement_reflns_used    1917
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      19.78
_cell_measurement_theta_min      2.28
_cell_volume                     1855.2(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 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  0.0584
_diffrn_reflns_av_sigmaI/netI    0.1017
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9153
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.659
_exptl_absorpt_correction_T_max  0.8130
_exptl_absorpt_correction_T_min  0.7664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.548
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.939
_refine_diff_density_min         -0.434
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6299
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.1037
_refine_ls_R_factor_gt           0.0616
_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^)+(0.0420P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1207
_refine_ls_wR_factor_ref         0.1320
_reflns_number_gt                3860
_reflns_number_total             6299
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cs2124.cif
_cod_data_source_block           I
_cod_original_cell_volume        1855.1(7)
_cod_database_code               2224159
_cod_database_fobs_code          2224159