Novel Silver-Containing Supramolecular Frameworks Constructed by Combination of Coordination Bonds and Supramolecular Interactions
Daofeng Sun; Rong Cao; Yanqiong Sun; Wenhua Bi; Xiaoju Li; Yanqin Wang; Qian Shi; Xing Li; Inorganic Chemistry 42 (2003) 7512–7518; doi:10.1021/ic034568v

data_4312490
_publ_section_title
;
 Novel Silver-Containing Supramolecular Frameworks Constructed by
 Combination of Coordination Bonds and Supramolecular Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7512
_journal_page_last               7518
_journal_paper_doi               10.1021/ic034568v
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C36 H28 Ag2 N4 O12 S'
_chemical_formula_weight         956.42
_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                 96.5010(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.8153(2)
_cell_length_b                   11.3098(2)
_cell_length_c                   20.5755(4)
_cell_measurement_reflns_used    106
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.24
_cell_measurement_theta_min      1.38
_cell_volume                     3425.42(10)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
_computing_structure_refinement  'Siemens SHELXTL'
_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0653
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            11095
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         1.38
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.279
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .7154
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1912
_exptl_crystal_size_max          .70
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .14
_refine_diff_density_max         0.567
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         6172
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_gt           0.0724
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+21.2427P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1297
_refine_ls_wR_factor_ref         0.1582
_reflns_number_gt                3812
_reflns_number_total             6172
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034568vsi20030526_095845_3.cif
_cod_data_source_block           '[Ag(bipy)]2(H2dpstc)2H2O'
_cod_database_code               4312490
_refine_ls_r_factor_ref          0.1310