Silver(i) complexes with oxazoline-containing tripodal ligands: structure variation via counter anions and reaction conditions
Huang, Yong-Qing; Shen, Zhong-Liang; Okamura, Taka-aki; Wang, Yan; Wang, Xiao-Feng; Sun, Wei-Yin; Yu, Jin-Quan; Ueyama, Norikazu; Dalton Transactions  (2008) 204–213; doi:10.1039/b714502k

data_7003225
_publ_section_title
;
 Silver(i) complexes with oxazoline-containing tripodal ligands:
 structure variation via counter anions and reaction conditions
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              204
_journal_page_last               213
_journal_paper_doi               10.1039/b714502k
_journal_year                    2008
_chemical_formula_moiety         'C30 H30 Ag2 Cl2 N6 O14 '
_chemical_formula_sum            'C30 H30 Ag2 Cl2 N6 O14'
_chemical_formula_weight         985.24
_chemical_name_common            (Ag2(L)2)(ClO4)2
_chemical_name_systematic
;
[Ag2(L)2](ClO4)2
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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_date             'Sat Apr 30 09:11:18 2005'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 109.670(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.177(3)
_cell_length_b                   17.872(4)
_cell_length_c                   14.392(4)
_cell_measurement_reflns_used    21365
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     3433.7(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR 92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0505
_diffrn_reflns_av_sigmaI/netI    0.0389
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            33294
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    1.376
_exptl_absorpt_correction_T_max  0.814
_exptl_absorpt_correction_T_min  0.748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.170
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.037
_refine_diff_density_min         -0.796
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         7848
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0196P)^2^+5.8777P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0737
_reflns_number_gt                6497
_reflns_number_total             7848
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b714502k.txt
_cod_data_source_block           6
_cod_original_cell_volume        3433.9(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7003225