Silver(I)−Organic Networks Assembled with the Flexible Prop-2-ynyloxybenzene Ligand:In SituRecrystallization and Unusual Silver−Aromatic Interaction
Zang, Shuang-Quan; Han, Jie; Mak, Thomas C. W.; Organometallics 28 (2009) 2677–; doi:10.1021/om801143q

data_4068889
_publ_section_title
;
 Silver(I)&#x2212;Organic Networks Assembled with the Flexible
 Prop-2-ynyloxybenzene Ligand:In SituRecrystallization and Unusual
 Silver&#x2212;Aromatic Interaction
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2677
_journal_paper_doi               10.1021/om801143q
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety
'C27 H13 Ag7 F30 O16,  0.25(H4 O2), 0.5(H2 O)'
_chemical_formula_sum            'C27 H15 Ag7 F30 O17'
_chemical_formula_weight         1936.48
_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                95.1200(10)
_cell_angle_beta                 98.9940(10)
_cell_angle_gamma                90.8920(10)
_cell_formula_units_Z            2
_cell_length_a                   12.3782(5)
_cell_length_b                   14.3569(6)
_cell_length_c                   14.7152(6)
_cell_measurement_reflns_used    954
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.35
_cell_volume                     2571.46(18)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0195
_diffrn_reflns_av_sigmaI/netI    0.0088
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            94948
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    2.780
_exptl_absorpt_correction_T_max  0.756
_exptl_absorpt_correction_T_min  0.722
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.477
_refine_diff_density_min         -1.436
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     731
_refine_ls_number_reflns         9030
_refine_ls_number_restraints     39
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0501
_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^)+(0.0980P)^2^+8.8117P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1500
_refine_ls_wR_factor_ref         0.1567
_reflns_number_gt                8018
_reflns_number_total             9030
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801143q_si_001.cif
_cod_data_source_block           4
_cod_database_code               4068889