Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced Transformation of Supramolecular Structure in the Crystalline State
Kil Sik Min; Myunghyun Paik Suh; Journal of the American Chemical Society 122 (2000) 6834–6840; doi:10.1021/ja000642m

data_4116092
_publ_section_title
;
 Silver(I)-Polynitrile Network Solids for Anion Exchange: Anion-Induced
 Transformation of Supramolecular Structure in the Crystalline State
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              6834
_journal_page_last               6840
_journal_paper_doi               10.1021/ja000642m
_journal_volume                  122
_journal_year                    2000
_chemical_formula_sum            'C14 H20 Ag N7 O3'
_chemical_formula_weight         442.24
_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                 91.534(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.7846(10)
_cell_length_b                   17.781(3)
_cell_length_c                   13.173(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1822.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3431
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         1.92
_exptl_absorpt_coefficient_mu    1.134
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_F_000             896
_refine_diff_density_max         1.116
_refine_diff_density_min         -0.762
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.977
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         3142
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.0562
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0645P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0925
_refine_ls_wR_factor_ref         0.0982
_reflns_number_gt                2378
_reflns_number_total             3142
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja000642m_1.cif
_cod_data_source_block           agno3
_cod_original_cell_volume        1822.7(5)
_cod_database_code               4116092