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_4071429
_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         'C17 H10 Ag5 F12 O11'
_chemical_formula_sum            'C17 H10 Ag5 F12 O11'
_chemical_formula_weight         1157.60
_chemical_name_common            '[Ag(L)0.5(AgCF3COO)4(H2O)2]'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 120.287(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6074(15)
_cell_length_b                   12.2988(15)
_cell_length_c                   22.4969(19)
_cell_measurement_temperature    293(2)
_cell_volume                     2773.2(6)
_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  0.0361
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            15387
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    3.603
_exptl_absorpt_correction_T_max  0.695
_exptl_absorpt_correction_T_min  0.431
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2172
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.616
_refine_diff_density_min         -1.686
_refine_diff_density_rms         0.164
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         5155
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0545P)^2^+8.1570P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
_refine_ls_wR_factor_ref         0.1072
_reflns_number_gt                4467
_reflns_number_total             5155
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800165x-file003.cif
_cod_data_source_block           complex_2
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               4071429