Silver(I)−Organic Networks Assembled with Propargyl-Functionalized Di- and Trihydroxybenzenes
Li, Bo; Zang, Shuang-Quan; Liang, Ran; Wu, Yang-Jie; Mak, Thomas C. W.; Organometallics 30 (2011) 1710–; doi:10.1021/om2000162

data_4064285
_publ_section_title
;
 Silver(I)&#x2212;Organic Networks Assembled with Propargyl-Functionalized
 Di- and Trihydroxybenzenes
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1710
_journal_paper_doi               10.1021/om2000162
_journal_volume                  30
_journal_year                    2011
_chemical_formula_sum            'C66 H35 Ag19 F39 N5 O33'
_chemical_formula_weight         4216.52
_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                89.850(2)
_cell_angle_beta                 79.799(2)
_cell_angle_gamma                88.085(2)
_cell_formula_units_Z            2
_cell_length_a                   17.0118(16)
_cell_length_b                   17.1524(17)
_cell_length_c                   17.9913(16)
_cell_measurement_reflns_used    5785
_cell_measurement_temperature    296
_cell_measurement_theta_max      27.332
_cell_measurement_theta_min      2.376
_cell_volume                     5163.8(8)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0431
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28388
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    3.656
_exptl_absorpt_correction_T_max  0.5353
_exptl_absorpt_correction_T_min  0.4884
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (2009)'
_exptl_crystal_density_diffrn    2.712
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3948
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.610
_refine_diff_density_min         -0.937
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1548
_refine_ls_number_reflns         18110
_refine_ls_number_restraints     229
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.1258
_refine_ls_R_factor_gt           0.0804
_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^)+(0.0877P)^2^+15.9242P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1720
_refine_ls_wR_factor_ref         0.1931
_reflns_number_gt                12032
_reflns_number_total             18110
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2000162_si_002.cif
_cod_data_source_block           4
_cod_database_code               4064285