Silver supramolecule catalyzed multicomponent reactions under mild conditions
Zhao, Yue; Zhou, Xin; Okamura, Taka-aki; Chen, Min; Lu, Yi; Sun, Wei-Yin; Yu, Jin-Quan; Dalton Transactions 41 (2012) 5889–; doi:10.1039/c2dt30134b

data_7018966
_publ_section_title
;
 Silver supramolecule catalyzed multicomponent reactions under mild
 conditions
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              5889
_journal_paper_doi               10.1039/c2dt30134b
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C12 H12 Ag N3 O5 '
_chemical_formula_sum            'C12 H12 Ag N3 O5'
_chemical_formula_weight         386.12
_chemical_name_systematic
;
[Ag(OX3)(ONO2)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_date             2010-04-13
_audit_creation_method           SHELXL-97
_cell_angle_alpha                71.12(2)
_cell_angle_beta                 88.459(17)
_cell_angle_gamma                75.42(2)
_cell_formula_units_Z            2
_cell_length_a                   7.100(4)
_cell_length_b                   8.900(5)
_cell_length_c                   11.174(5)
_cell_measurement_reflns_used    5588
_cell_measurement_temperature    200
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.4
_cell_volume                     645.4(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    ' SIR92 (Altomare et al., 1990)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID II'
_diffrn_measurement_method       \w
_diffrn_radiation_source
;
MicroMax-007HF microfocus rotating anode X-ray generator
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0450
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            6145
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.36
_exptl_absorpt_coefficient_mu    1.589
_exptl_absorpt_correction_T_max  0.9689
_exptl_absorpt_correction_T_min  0.8322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.987
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             384
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.656
_refine_diff_density_min         -0.398
_refine_diff_density_rms         0.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2936
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0280
_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^)+(0.0361P)^2^+0.0589P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0664
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                2659
_reflns_number_total             2936
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            c2dt30134b.txt
_cod_data_source_block           '[Ag(L)(ONO2)]'
_cod_database_code               7018966