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_4064282
_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            'C48 H34 Ag15 B F34 N2 O30'
_chemical_formula_weight         3393.63
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 98.459(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.0752(13)
_cell_length_b                   30.335(3)
_cell_length_c                   24.098(3)
_cell_measurement_reflns_used    1024
_cell_measurement_temperature    296
_cell_measurement_theta_max      38.946
_cell_measurement_theta_min      5.637
_cell_volume                     8731.1(17)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0635
_diffrn_reflns_av_sigmaI/netI    0.0718
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            23755
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    3.424
_exptl_absorpt_correction_T_max  0.5777
_exptl_absorpt_correction_T_min  0.5475
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2009)
_exptl_crystal_density_diffrn    2.582
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             6368
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.648
_refine_diff_density_min         -2.216
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     674
_refine_ls_number_reflns         7698
_refine_ls_number_restraints     574
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0738
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1595P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2130
_refine_ls_wR_factor_ref         0.2436
_reflns_number_gt                4686
_reflns_number_total             7698
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om2000162_si_002.cif
_cod_data_source_block           1
_cod_original_cell_volume        8731.3(16)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_database_code               4064282