Multidimensional Frameworks Assembled from Silver(I) Coordination Polymers Containing Flexible Bis(thioquinolyl) Ligands: Role of the Intra- and Intermolecular Aromatic Stacking Interactions
Chun-Long Chen; Cheng-Yong Su; Yue-Peng Cai; Hua-Xin Zhang; An-Wu Xu; Bei-Sheng Kang; Hans-Conrad zur Loye; Inorganic Chemistry 42 (2003) 3738–3750; doi:10.1021/ic0341035

data_4313770
_publ_section_title
;
 Multidimensional Frameworks Assembled from Silver(I) Coordination
 Polymers Containing Flexible Bis(thioquinolyl) Ligands: Role of the
 Intra- and Intermolecular Aromatic Stacking Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3738
_journal_page_last               3750
_journal_paper_doi               10.1021/ic0341035
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C21 H18 Ag Cl N2 O4 S2'
_chemical_formula_weight         569.81
_chemical_name_systematic
; 
 ? 
;
_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                 107.378(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.243(7)
_cell_length_b                   8.080(4)
_cell_length_c                   21.019(11)
_cell_measurement_temperature    293(2)
_cell_volume                     2146.4(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            12278
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    1.290
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1144
_refine_diff_density_max         0.969
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4668
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0425
_refine_ls_shift/su_max          0.128
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0633P)^2^+4.0908P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1157
_refine_ls_wR_factor_ref         0.1289
_reflns_number_gt                3737
_reflns_number_total             4668
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0341035si20030130_053547_1.cif
_cod_data_source_block           1
_cod_original_cell_volume        2146(2)
_cod_original_sg_symbol_H-M      'P 1 21/n 1'
_cod_database_code               4313770