The First β-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex
Chizu Shimokawa; Shinobu Itoh; Inorganic Chemistry 44 (2005) 3010–3012; doi:10.1021/ic0501014

data_1100783
_publ_section_title
;

The First \b-Diketiminate-Ag(I) Complexes. Macrocyclic Dinuclear and

Tetranuclear Ag(I)-Complexes and Linear Coordination Polymer Ag(I)-Complex

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3010
_journal_page_last               3012
_journal_paper_doi               10.1021/ic0501014
_journal_volume                  44
_journal_year                    2005
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C28 H38 Ag Cl2 N3 O2 '
_chemical_formula_sum            'C28 H38 Ag Cl2 N3 O2'
_chemical_formula_weight         627.40
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.025(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.432(2)
_cell_length_b                   16.167(2)
_cell_length_c                   15.208(3)
_cell_measurement_reflns_used    11477
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.0
_cell_volume                     2952.1(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9839
_diffrn_measured_fraction_theta_max 0.9839
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            29107
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.890
_exptl_absorpt_correction_T_max  0.915
_exptl_absorpt_correction_T_min  0.839
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;

    Higashi, T. (1999). Program for Absorption Correction.

    Rigaku Corporation, Tokyo, Japan.

;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.412
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1296.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.27
_refine_diff_density_min         -5.42
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.'
_refine_ls_abs_structure_Flack   0.43(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     726
_refine_ls_number_reflns         22778
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0005Fo^2^ + 2.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                22778
_reflns_number_total             29066
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0501014si20050122_011347_4.cif
_cod_data_source_block           '__(Ag(L5)(CH2Cl2))n'
_cod_original_cell_volume        2952.0(8)
_cod_original_formula_sum        'C28 H38 Ag Cl2 N3 O2 '
_cod_database_code               1100783