[Ag2(C33H26N2O2)(H2O)2(SO3CF3)2].0.5C6H6: A Luminescent Supramolecular Silver(I) Complex Based on Metal-Carbon and Metal-Heteroatom Interactions
Yu-Bin Dong; Guo-Xia Jin; Mark D. Smith; Ru-Qi Huang; Bo Tang; Hans-Conrad zur Loye; Inorganic Chemistry 41 (2002) 4909–4914; doi:10.1021/ic020228i

data_4318516
_publ_section_title
;
 [Ag2(C33H26N2O2)(H2O)2(SO3CF3)2].0.5C6H6: A Luminescent Supramolecular
 Silver(I) Complex Based on Metal-Carbon and Metal-Heteroatom Interactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4909
_journal_page_last               4914
_journal_paper_doi               10.1021/ic020228i
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C38 H33 Ag2 F6 N2 O10 S2'
_chemical_formula_weight         1071.52
_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                73.5150(10)
_cell_angle_beta                 89.0410(10)
_cell_angle_gamma                89.0970(10)
_cell_formula_units_Z            2
_cell_length_a                   7.1654(5)
_cell_length_b                   15.7277(11)
_cell_length_c                   18.8157(13)
_cell_measurement_reflns_used    5621
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.988
_cell_measurement_theta_min      2.278
_cell_volume                     2032.9(2)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.624 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0418
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16786
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    1.153
_exptl_absorpt_correction_T_max  0.8309
_exptl_absorpt_correction_T_min  0.5736
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1070
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.48
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.748
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         7170
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0560
_refine_ls_R_factor_gt           0.0433
_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^)+(0.0601P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1062
_refine_ls_wR_factor_ref         0.1097
_reflns_number_gt                5042
_reflns_number_total             7170
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020228i_2.cif
_cod_data_source_block           compound-2
_cod_database_code               4318516