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_4071430
_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         'C38 H23 Ag9 F21 N3 O17'
_chemical_formula_sum            'C38 H23 Ag9 F21 N3 O17'
_chemical_formula_weight         2163.42
_chemical_name_common            '[Ag2(L)(AgCF3COO)7(CH3CN)3(?-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                70.960(5)
_cell_angle_beta                 73.919(6)
_cell_angle_gamma                72.171(5)
_cell_formula_units_Z            2
_cell_length_a                   11.789(3)
_cell_length_b                   15.211(4)
_cell_length_c                   18.017(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2850.6(13)
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0314
_diffrn_reflns_av_sigmaI/netI    0.0606
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15616
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    3.156
_exptl_absorpt_correction_T_max  0.728
_exptl_absorpt_correction_T_min  0.406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            plate
_exptl_crystal_density_diffrn    2.521
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       colorless
_exptl_crystal_F_000             2040
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.323
_refine_diff_density_min         -1.242
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     803
_refine_ls_number_reflns         9991
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0883
_refine_ls_R_factor_gt           0.0538
_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^)+(0.0750P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1310
_refine_ls_wR_factor_ref         0.1445
_reflns_number_gt                6723
_reflns_number_total             9991
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800165x-file003.cif
_cod_data_source_block           complex_3
_cod_original_cell_volume        2850.5(13)
_cod_database_code               4071430