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_1100780
_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_formula_moiety         'C56 H78 N4 '
_chemical_formula_sum            'C56 H78 N4'
_chemical_formula_weight         807.26
_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'
_cell_angle_alpha                90
_cell_angle_beta                 108.296(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.824(2)
_cell_length_b                   10.358(2)
_cell_length_c                   21.483(4)
_cell_measurement_reflns_used    8394
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.1
_cell_volume                     2498.1(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 0.9820
_diffrn_measured_fraction_theta_max 0.9820
_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  0.038
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            24350
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.062
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.986
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;

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

    Rigaku Corporation, Tokyo, Japan.

;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.073
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             884.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.61
_refine_ls_extinction_coef       715.3(16)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     311
_refine_ls_number_reflns         9427
_refine_ls_R_factor_gt           0.0530
_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         0.0540
_reflns_number_gt                9427
_reflns_number_total             20636
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0501014si20050122_011347_1.cif
_cod_data_source_block           '__(L2)2'
_cod_original_formula_sum        'C56 H78 N4 '
_cod_database_code               1100780