Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters
Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera; Inorganic Chemistry 44 (2005) 691–702; doi:10.1021/ic049240w

data_4308504
_publ_section_title
;
Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a
1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of
Phosphate Esters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              691
_journal_page_last               702
_journal_paper_doi               10.1021/ic049240w
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C18 H26 Cl2 Cu N4 O4 '
_chemical_formula_sum            'C18 H26 Cl2 Cu N4 O4'
_chemical_formula_weight         496.88
_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                 100.108(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.588(2)
_cell_length_b                   14.246(2)
_cell_length_c                   13.297(2)
_cell_measurement_reflns_used    8835
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2161.0(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9893
_diffrn_measured_fraction_theta_max 0.9893
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10214
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    1.289
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         8.24
_refine_diff_density_min         -6.61
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     288
_refine_ls_number_reflns         3596
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0100
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0011Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0480
_reflns_number_gt                3596
_reflns_number_total             4899
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic049240wsi20040611_013029_1.cif
_cod_data_source_block           '__Cu(LMe,Me)ClO4'
_cod_original_cell_volume        2161.2(6)
_cod_original_formula_sum        'C18 H26 Cl2 Cu N4 O4 '
_cod_database_code               4308504