Diverse Intermolecular Interactions in Metal−Organic Frameworks Constructed with the New Supramolecular Synthon Agn−L−Agn(n= 4, 5) (H2L = 2,2′-Bis(prop-2-ynyloxy)biphenyl)
Zang, Shuang-Quan; Zhao, Liang; Mak, Thomas C. W.; Organometallics 27 (2008) 2396–; doi:10.1021/om800165x

data_4071428
_publ_section_title
;
 Diverse Intermolecular Interactions in Metal&#x2212;Organic Frameworks
 Constructed with the New Supramolecular Synthon
 Agn&#x2212;L&#x2212;Agn(n= 4, 5) (H2L =
 2,2&#x2032;-Bis(prop-2-ynyloxy)biphenyl)
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2396
_journal_paper_doi               10.1021/om800165x
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         'C18 H14 Ag8 N6 O21'
_chemical_formula_sum            'C18 H14 Ag8 N6 O21'
_chemical_formula_weight         1513.31
_chemical_name_common            '[Ag2L(AgNO3)6(H2O)]'
_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                89.231(3)
_cell_angle_beta                 79.744(3)
_cell_angle_gamma                88.209(2)
_cell_formula_units_Z            2
_cell_length_a                   7.6273(9)
_cell_length_b                   10.2369(13)
_cell_length_c                   20.343(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1562.2(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0658
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            8482
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    5.005
_exptl_absorpt_correction_T_max  0.371
_exptl_absorpt_correction_T_min  0.246
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.217
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.168
_refine_diff_density_min         -1.480
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         5451
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0730
_refine_ls_R_factor_gt           0.0475
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0555P)^2^+0.1233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1097
_refine_ls_wR_factor_ref         0.1197
_reflns_number_gt                3966
_reflns_number_total             5451
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800165x-file003.cif
_cod_data_source_block           complex_1
_cod_database_code               4071428