Bis[2-(cycloheptyliminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>']silver(I) tetraphenylborate
Massa, Werner; Dehghanpour, Saeed; Tashakori, Gilda; Aoki, Katsuyuki; Acta Crystallographica Section E 63 (2007) m1872–m1872; doi:10.1107/S1600536807027079

data_2214470
_publ_section_title
;
 Bis[2-(cycloheptyliminomethyl)pyridine-\k^2^<i>N</i>,<i>N</i>']silver(I)
 tetraphenylborate
;
_journal_coeditor_code           ZL2033
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1872
_journal_page_last               m1872
_journal_paper_doi               10.1107/S1600536807027079
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C26 H36 N4)2] C24 H20 B'
_chemical_formula_moiety         'C26 H36 Ag N4 +, C24 H20 B -'
_chemical_formula_sum            'C50 H56 Ag B N4'
_chemical_formula_weight         831.67
_chemical_name_systematic
;
Bis[2-(cycloheptyliminomethyl)pyridine-k^2^N,N']silver(I) tetraphenylborate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.462(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2093(3)
_cell_length_b                   15.2132(2)
_cell_length_c                   21.6851(6)
_cell_measurement_reflns_used    49514
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.82
_cell_measurement_theta_min      1.60
_cell_volume                     4200.03(17)
_computing_cell_refinement       XAREA
_computing_data_collection       'XAREA (Stoe & Cie, 2006)'
_computing_data_reduction        XAREA
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 6.7
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Stoe IPDS II'
_diffrn_measurement_method       \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  0.0171
_diffrn_reflns_av_sigmaI/netI    0.0136
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            32871
_diffrn_reflns_theta_full        29.42
_diffrn_reflns_theta_max         29.42
_diffrn_reflns_theta_min         1.60
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.520
_exptl_absorpt_correction_T_max  0.8855
_exptl_absorpt_correction_T_min  0.7812
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1744
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.527
_refine_diff_density_min         -0.577
_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     524
_refine_ls_number_reflns         11472
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0419P)^2^+1.6408P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0775
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                10372
_reflns_number_total             11472
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zl2033.cif
_cod_data_source_block           I
_cod_original_cell_volume        4200.03(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214470
_cod_database_fobs_code          2214470