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_4313771
_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            'C22 H18 Ag F3 N2 O3 S3'
_chemical_formula_weight         619.43
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.705(5)
_cell_length_b                   18.277(10)
_cell_length_c                   25.653(15)
_cell_measurement_temperature    293(2)
_cell_volume                     4550(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0291
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26913
_diffrn_reflns_theta_full        27.18
_diffrn_reflns_theta_max         27.18
_diffrn_reflns_theta_min         2.23
_exptl_absorpt_coefficient_mu    1.215
_exptl_absorpt_correction_T_max  0.7119
_exptl_absorpt_correction_T_min  0.6688
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2480
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.087
_refine_diff_density_min         -0.801
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4999
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0934
_refine_ls_R_factor_gt           0.0635
_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^)+(0.1102P)^2^+11.8755P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1809
_refine_ls_wR_factor_ref         0.2168
_reflns_number_gt                3367
_reflns_number_total             4999
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0341035si20030130_053547_2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4313771