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_7200884
_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         '2(C24 H12 Ag6 F25 I O14), 0.5(H4 O2)'
_chemical_formula_sum            'C48 H26 Ag12 F50 I2 O29'
_chemical_formula_weight         3564.93
_chemical_name_common            ((AgL1)(AgC2F5CO2)5(H2O)3)0.5H2O
_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                90.181(4)
_cell_angle_beta                 115.534(3)
_cell_angle_gamma                115.853(3)
_cell_formula_units_Z            2
_cell_length_a                   13.355(2)
_cell_length_b                   14.450(2)
_cell_length_c                   14.685(2)
_cell_measurement_reflns_used    826
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      24.395
_cell_measurement_theta_min      2.844
_cell_volume                     2236.5(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0467
_diffrn_reflns_av_sigmaI/netI    0.0778
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12272
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    3.428
_exptl_absorpt_correction_T_max  0.664
_exptl_absorpt_correction_T_min  0.440
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.647
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1666
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.932
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     640
_refine_ls_number_reflns         7871
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0616
_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^)+(0.0910P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1481
_refine_ls_wR_factor_ref         0.1620
_reflns_number_gt                5188
_reflns_number_total             7871
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b900308h.txt
_cod_data_source_block           1
_cod_database_code               7200884