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_4064284
_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            'C44 H34 Ag12 F30 N6 O27'
_chemical_formula_weight         2943.21
_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                62.249(11)
_cell_angle_beta                 69.626(11)
_cell_angle_gamma                73.765(12)
_cell_formula_units_Z            1
_cell_length_a                   11.504(7)
_cell_length_b                   14.494(8)
_cell_length_c                   15.198(9)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    296
_cell_measurement_theta_max      40.713
_cell_measurement_theta_min      5.322
_cell_volume                     2081(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0338
_diffrn_reflns_av_sigmaI/netI    0.0666
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11469
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    2.892
_exptl_absorpt_correction_T_max  0.6241
_exptl_absorpt_correction_T_min  0.5954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2009)
_exptl_crystal_density_diffrn    2.348
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1390
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.203
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     588
_refine_ls_number_reflns         7300
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.1106
_refine_ls_R_factor_gt           0.0656
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1164P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1755
_refine_ls_wR_factor_ref         0.1987
_reflns_number_gt                4385
_reflns_number_total             7300
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2000162_si_002.cif
_cod_data_source_block           3
_cod_original_sg_symbol_Hall     ' -P 1'
_cod_database_code               4064284