Synthesis and crystal structure of bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-κ^2^<i>N</i>,<i>N</i>')silver(I) trifluoromethanesulfonate
Pinto, Miguel; Chakraborty, Indranil; Mascharak, Pradip; Acta Crystallographica Section E 72 (2016) 1495–1498; doi:10.1107/S205698901601519X

data_2241863
_publ_section_title
;
 Synthesis and crystal structure of
 bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-\k^2^<i>N</i>,<i>N</i>')silver(I)
 trifluoromethanesulfonate
;
_journal_coeditor_code           WM5314
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              1495
_journal_page_last               1498
_journal_paper_doi               10.1107/S205698901601519X
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          '[Ag (C26 H16 N2)2] C F3 S O3'
_chemical_formula_moiety         'C52 H32 Ag N4 +, C F3 O3 S -'
_chemical_formula_sum            'C53 H32 Ag F3 N4 O3 S'
_chemical_formula_weight         969.75
_chemical_name_systematic
;
Bis(1-{[(quinolin-8-yl)imino]methyl}pyrene-\k^2^<i>N</i>,<i>N</i>')silver(I)
trifluoromethanesulfonate
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.16 svn.r3265 for OlexSys, GUI svn.r5155)
;
_cell_angle_alpha                90
_cell_angle_beta                 110.8870(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.1320(10)
_cell_length_b                   13.6108(8)
_cell_length_c                   18.9712(11)
_cell_measurement_reflns_used    3637
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      18.259
_cell_measurement_theta_min      2.494
_cell_volume                     4133.0(4)
_computing_cell_refinement
;
SAINT (Bruker, 2012)
;
_computing_data_collection
;
APEX2 (Bruker, 2012)
;
_computing_data_reduction
;
SAINT (Bruker, 2012)
;
_computing_molecular_graphics
;
XP in SHELXTL (Sheldrick, 2008) and CrystalMaker (Palmer, 2014)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_structure_refinement
;
<i>SHELXL2014</i> (Sheldrick, 2015<i>b</i>)
;
_computing_structure_solution
;
<i>SHELXT2014</i> (Sheldrick, 2015<i>a</i>)
;
_diffrn_ambient_temperature      273.15
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0844
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            35302
_diffrn_reflns_theta_full        25.320
_diffrn_reflns_theta_max         25.320
_diffrn_reflns_theta_min         2.494
_exptl_absorpt_coefficient_mu    0.605
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2012)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.558
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.536
_refine_ls_extinction_coef       0.0017(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL-2014/7 (Sheldrick 2014
;
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     587
_refine_ls_number_reflns         7406
_refine_ls_number_restraints     598
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.1110
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0931P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1489
_refine_ls_wR_factor_ref         0.1813
_reflns_number_gt                4227
_reflns_number_total             7406
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm5314sup1.cif
_cod_data_source_block           I
_cod_database_code               2241863
_cod_database_fobs_code          2241863
_shelx_hkl_checksum              21911
_shelx_res_checksum              57990