Assembly of silver(i)‒organic frameworks from flexible supramolecular synthons with pendant ethynide arm attached to biphenyl and phenoxybenzene skeletons
Li, Bo; Huang, Ren-Wu; Zang, Shuang-Quan; Mak, Thomas C. W.; CrystEngComm 15 (2013) 4087–; doi:10.1039/c3ce40230d

data_7209793
_publ_section_title
;
 Assembly of silver(i)--organic frameworks from flexible supramolecular
 synthons with pendant ethynide arm attached to biphenyl and
 phenoxybenzene skeletons
;
_journal_issue                   20
_journal_name_full               CrystEngComm
_journal_page_first              4087
_journal_paper_doi               10.1039/c3ce40230d
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C23 H11 Ag5 F12 O10'
_chemical_formula_weight         1214.67
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 118.56(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0069(18)
_cell_length_b                   23.389(5)
_cell_length_c                   16.537(5)
_cell_measurement_reflns_used    6762
_cell_measurement_temperature    296
_cell_measurement_theta_max      29.1423
_cell_measurement_theta_min      2.2357
_cell_volume                     3059.8(14)
_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  0.0537
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            30361
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    3.270
_exptl_absorpt_correction_T_max  0.5906
_exptl_absorpt_correction_T_min  0.5608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2009)
_exptl_crystal_density_diffrn    2.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.361
_refine_diff_density_min         -1.101
_refine_diff_density_rms         0.135
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         5381
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0854
_refine_ls_R_factor_gt           0.0727
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0853P)^2^+21.4686P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.1855
_reflns_number_gt                4691
_reflns_number_total             5381
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40230d.txt
_cod_data_source_block           4
_cod_original_cell_volume        3059.8(13)
_cod_original_sg_symbol_Hall     ' -P 2ybc'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7209793