Syntheses, structures and properties of silver(I) complexes with flexible 1,3,5-tris(pyridylmethoxyl)benzene ligands
Wu, Gang; Wang, Xiao-Feng; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin; Ueyama, Norikazu; Journal of Solid State Chemistry 183 (2010) 2174–2182; doi:10.1016/j.jssc.2010.07.036

data_1563525
_publ_section_title
;
 Syntheses, structures and properties of silver(I) complexes with flexible
 1,3,5-tris(pyridylmethoxyl)benzene ligands
;
_journal_issue                   9
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              2174
_journal_page_last               2182
_journal_paper_doi               10.1016/j.jssc.2010.07.036
_journal_volume                  183
_journal_year                    2010
_chemical_formula_moiety         'C26.50 H25.50 Ag F3 N3.50 O7 S '
_chemical_formula_sum            'C26.5 H25.5 Ag F3 N3.5 O7 S'
_chemical_formula_weight         701.93
_chemical_name_systematic
; 
[Ag(L3)](CF3SO3)-1/2(CH3CN)-1/2(MeOH)-1/2(H2O) 
;
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 115.391(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.999(3)
_cell_length_b                   15.9739(14)
_cell_length_c                   14.4213(16)
_cell_measurement_reflns_used    19567
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.0
_cell_volume                     5826.9(11)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_sigmaI/netI    0.1154
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            28369
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    0.832
_exptl_absorpt_correction_T_max  0.944
_exptl_absorpt_correction_T_min  0.905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            light-brown
_exptl_crystal_density_diffrn    1.600
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             2840
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_refine_diff_density_max         0.820
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.085
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         11835
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0753
_refine_ls_R_factor_gt           0.0450
_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^)+(0.0263P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0829
_refine_ls_wR_factor_ref         0.0867
_reflns_number_gt                6787
_reflns_number_total             11835
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            JSSC-2010-183-2174.cif
_cod_data_source_block           4
_cod_original_cell_volume        5826.9(10)
_cod_original_sg_symbol_H-M      'C c'
_cod_original_formula_sum        'C26.50 H25.50 Ag F3 N3.50 O7 S'
_cod_database_code               1563525