Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon
Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.; CrystEngComm 11 (2009) 1061–; doi:10.1039/b900308h

data_7200886
_publ_section_title
;
 Silver&#x22EF;X--aryl (X = I and Br) interaction in a network assembly
 with a flexible polynuclear silver--ethynide supramolecular synthon
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1061
_journal_paper_doi               10.1039/b900308h
_journal_volume                  11
_journal_year                    2009
_chemical_formula_moiety
'C21 H12 Ag7 Br F18 O16, 0.25(H4 O2), 0.25(H4 O2)'
_chemical_formula_sum            'C21 H14 Ag7 Br F18 O17'
_chemical_formula_weight         1715.32
_chemical_name_common            ((AgL2)(AgCF3CO2)6(H2O)3)H2O
_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                112.816(3)
_cell_angle_beta                 98.832(3)
_cell_angle_gamma                113.477(3)
_cell_formula_units_Z            2
_cell_length_a                   13.240(2)
_cell_length_b                   13.503(2)
_cell_length_c                   14.691(2)
_cell_measurement_reflns_used    911
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.881
_cell_measurement_theta_min      2.63
_cell_volume                     2067.9(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0392
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11362
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    4.357
_exptl_absorpt_correction_T_max  0.596
_exptl_absorpt_correction_T_min  0.397
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.651
_refine_diff_density_min         -1.801
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     578
_refine_ls_number_reflns         7273
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0579
_refine_ls_R_factor_gt           0.0497
_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^)+(0.0786P)^2^+8.6039P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1361
_refine_ls_wR_factor_ref         0.1415
_reflns_number_gt                6161
_reflns_number_total             7273
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900308h.txt
_cod_data_source_block           3
_cod_database_code               7200886