Bis[μ-bis(diphenylphosphanyl)methane-κ^2^<i>P</i>:<i>P</i>']bis[(isoquinoline-κ<i>N</i>)silver(I)] bis(trifluoromethanesulfonate)–isoquinoline (1/1)
Huang, Xu; Li, Jing; Qiu, Qi-Ming; Liu, Min; Jin, Qiong-Hua; Acta Crystallographica Section E 68 (2012) m1022–m1023; doi:10.1107/S1600536812029236

data_2235762
_publ_section_title
;
 Bis[\m-bis(diphenylphosphanyl)methane-\k^2^<i>P</i>:<i>P</i>']bis[(isoquinoline-\k<i>N</i>)silver(I)]
 bis(trifluoromethanesulfonate)--isoquinoline (1/1)
;
_journal_coeditor_code           BV2206
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1022
_journal_page_last               m1023
_journal_paper_doi               10.1107/S1600536812029236
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Ag2 (C25 H22 P2)2 (C9 H7 N)2] (C F3 O3 S)2, C9 H7 N'
_chemical_formula_moiety         'C68 H58 Ag2 N2 P4 2+, 2(C F3 O3 S -), C9 H7 N'
_chemical_formula_sum            'C79 H65 Ag2 F6 N3 O6 P4 S2'
_chemical_formula_weight         1670.08
_chemical_name_systematic
;
Bis[\m-bis(diphenylphosphanyl)methane-
\k^2^<i>P</i>:<i>P</i>']bis[(isoquinoline-\k<i>N</i>)silver(I)]
bis(trifluoromethanesulfonate)--isoquinoline (1/1)
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.6960(10)
_cell_angle_beta                 100.3820(10)
_cell_angle_gamma                110.289(2)
_cell_formula_units_Z            1
_cell_length_a                   11.7730(11)
_cell_length_b                   11.9269(12)
_cell_length_c                   15.4151(17)
_cell_measurement_reflns_used    4635
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.049
_cell_measurement_theta_min      2.471
_cell_volume                     1847.9(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'phi and omega 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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0523
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9230
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    0.743
_exptl_absorpt_correction_T_max  0.7809
_exptl_absorpt_correction_T_min  0.7167
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.39
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.632
_refine_diff_density_min         -0.570
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     497
_refine_ls_number_reflns         6407
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0377
_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^)+(0.0425P)^2^+1.3004P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.1030
_reflns_number_gt                4969
_reflns_number_total             6407
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            bv2206.cif
_cod_data_source_block           I
_cod_database_code               2235762
_cod_database_fobs_code          2235762