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_7209792
_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            'C60 H44 Ag6 N2 O10'
_chemical_formula_weight         1600.19
_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                94.781(2)
_cell_angle_beta                 92.459(2)
_cell_angle_gamma                90.367(2)
_cell_formula_units_Z            2
_cell_length_a                   7.6485(2)
_cell_length_b                   11.1943(3)
_cell_length_c                   30.1822(7)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.2541
_cell_measurement_theta_min      3.0370
_cell_volume                     2572.70(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            17096
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    2.304
_exptl_absorpt_correction_T_max  0.6686
_exptl_absorpt_correction_T_min  0.6433
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS(2009)
_exptl_crystal_density_diffrn    2.066
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1560
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.191
_refine_diff_density_min         -1.142
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     716
_refine_ls_number_reflns         9016
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.010
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0511P)^2^+10.0785P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1253
_refine_ls_wR_factor_ref         0.1351
_reflns_number_gt                7145
_reflns_number_total             9016
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40230d.txt
_cod_data_source_block           3
_cod_database_code               7209792