Pi-pi stacking assisted binding of aromatic amino acids by copper(II)-aromatic diimine complexes. Effects of ring substituents on ternary complex stability.
Yajima, Tatsuo; Takamido, Reiko; Shimazaki, Yuichi; Odani, Akira; Nakabayashi, Yasuo; Yamauchi, Osamu; Dalton transactions (Cambridge, England : 2003)  (2007) 299–307; doi:10.1039/b612394e

data_7004881
_publ_section_title
;
 Pi-pi stacking assisted binding of aromatic amino acids by
 copper(II)-aromatic diimine complexes. Effects of ring substituents on
 ternary complex stability.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              299
_journal_page_last               307
_journal_paper_doi               10.1039/b612394e
_journal_year                    2007
_chemical_formula_moiety         '[Cu(dpa)(trp)]ClO4.2H2O(1)'
_chemical_formula_sum            'C21 H24 Cl Cu N5 O8'
_chemical_formula_weight         571.43
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   6.7769(10)
_cell_length_b                   10.96900(10)
_cell_length_c                   31.0900(3)
_cell_measurement_temperature    273.1
_cell_volume                     2311.1(3)
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  AFC-5R
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       0
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_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_exptl_absorpt_coefficient_mu    1.120
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'deep blue'
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_description       needle
_exptl_crystal_F_000             1172.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.94
_refine_diff_density_min         -1.29
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    refall
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_refine_ls_number_reflns         3011
_refine_ls_R_factor_gt           0.0629
_refine_ls_shift/su_max          0.0098
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0103Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2048
_reflns_number_gt                2915
_reflns_number_total             3011
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b612394e.txt
_cod_data_source_block           '_[Cu(dpa)(trp)]ClO4.2H2O(1)'
_cod_original_formula_sum        'C21 H24 Cl Cu N5 O8 '
_cod_database_code               7004881