Dinuclear zinc(II) complex of a new acyclic phenol-based dinucleating ligand with four methoxyethyl chelating arms: first dizinc model with aminopeptidase function
Sakiyama, Hiroshi; Mochizuki, Rieko; Sugawara, Akihiko; Sakamoto, Masatomi; Nishida, Yuzo; Yamasaki, Mikio; Journal of the Chemical Society, Dalton Transactions  (1999) 997–; doi:10.1039/a808055k

data_7027142
_publ_section_title
;
 Dinuclear zinc(II) complex of a new acyclic phenol-based dinucleating
 ligand with four methoxyethyl chelating arms: first dizinc model with
 aminopeptidase function
;
_journal_issue                   6
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              997
_journal_paper_doi               10.1039/a808055k
_journal_year                    1999
_chemical_formula_sum            'C50 H64 B Cl3 N2 O9 Zn2'
_chemical_formula_weight         1084.99
_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'
_cell_angle_alpha                99.200(2)
_cell_angle_beta                 114.834(1)
_cell_angle_gamma                69.368(4)
_cell_formula_units_Z            2
_cell_length_a                   14.626(1)
_cell_length_b                   16.343(2)
_cell_length_c                   13.398(1)
_cell_measurement_reflns_used    10214
_cell_measurement_temperature    297.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.55
_cell_volume                     2719.7(4)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_detector_area_resol_mean 12.195
_diffrn_measured_fraction_theta_full 0.9261
_diffrn_measured_fraction_theta_max 0.9261
_diffrn_measurement_device_type  'Rigaku RASA-7 QUANTUM'
_diffrn_measurement_method       \f
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            24447
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_exptl_absorpt_coefficient_mu    1.081
_exptl_absorpt_correction_T_max  1.1329
_exptl_absorpt_correction_T_min  0.6461
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.325
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_size_max          0.560
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.44
_refine_diff_density_min         -0.45
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.439
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     582
_refine_ls_number_reflns         6909
_refine_ls_R_factor_gt           0.0564
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00302|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0859
_reflns_number_gt                6909
_reflns_number_total             11564
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            808055ksup1.cif
_cod_data_source_block           Yamagata_Univ._Dr._Sakiyama
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C50 H64 B Cl3 N2 O9 Zn2 '
_cod_database_code               7027142