Synthesis, Characterization, and Catalytic Application of a Cationic Metal−Organic Framework: Ag2(4,4′-bipy)2(O3SCH2CH2SO3)
Fei, Honghan; Paw U, Latisha; Rogow, David L.; Bresler, Marc R.; Abdollahian, Yashar A.; Oliver, Scott R. J.; Chemistry of Materials 22 (2010) 2027–; doi:10.1021/cm9032308

data_4000952
_publ_section_title
;
 Synthesis, Characterization, and Catalytic Application of a Cationic
 Metal&#x2212;Organic Framework: Ag2(4,4&#x2032;-bipy)2(O3SCH2CH2SO3)
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2027
_journal_paper_doi               10.1021/cm9032308
_journal_volume                  22
_journal_year                    2010
_chemical_formula_sum            'C22 H28 Ag2 N4 O10 S2'
_chemical_formula_weight         788.36
_chemical_name_systematic
; 
 ? 
;
_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                71.589(2)
_cell_angle_beta                 75.392(2)
_cell_angle_gamma                71.286(2)
_cell_formula_units_Z            1
_cell_length_a                   8.1174(17)
_cell_length_b                   9.2860(19)
_cell_length_c                   10.297(2)
_cell_measurement_reflns_used    5121
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      58.865
_cell_measurement_theta_min      4.792
_cell_volume                     687.6(2)
_computing_cell_refinement       'Bruker SAINT v7.34'
_computing_data_collection       'Bruker APEX-II v2.1-4'
_computing_data_reduction        'Bruker SAINT v7.34'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 83.33
_diffrn_measured_fraction_theta_full 0.908
_diffrn_measured_fraction_theta_max 59.30
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       \w/2\q-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  0.0137
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8020
_diffrn_reflns_theta_full        0.908
_diffrn_reflns_theta_max         59.30
_diffrn_reflns_theta_min         4.22
_exptl_absorpt_coefficient_mu    1.637
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6577
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.904
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             394
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.723
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.870
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         3528
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.870
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0262
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0100P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0559
_refine_ls_wR_factor_ref         0.0569
_reflns_number_gt                17868
_reflns_number_total             19425
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm9032308_si_002.cif
_cod_data_source_block           xsc09012
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4000952