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_4308506
_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         'C52 H52 Cl2 Cu2 N6 O16 P2 '
_chemical_formula_sum            'C52 H52 Cl2 Cu2 N6 O16 P2'
_chemical_formula_weight         1276.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.357(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.277(4)
_cell_length_b                   18.549(4)
_cell_length_c                   17.418(4)
_cell_measurement_reflns_used    11431
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     5558(2)
_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    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.9858
_diffrn_measured_fraction_theta_max 0.9858
_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  0.093
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            114056
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.993
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_correction_T_min  0.726
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2624.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.24
_refine_diff_density_min         -0.84
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     749
_refine_ls_number_reflns         5874
_refine_ls_R_factor_gt           0.0760
_refine_ls_shift/su_max          0.0120
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0052Fo^2^ + 1.0000\s(Fo^2^)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                5721
_reflns_number_total             12582
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic049240wsi20040611_013029_3.cif
_cod_data_source_block           '__Cu(LPyMe)(Ph2PO4)'
_cod_original_cell_volume        5557.4(20)
_cod_original_formula_sum        'C52 H52 Cl2 Cu2 N6 O16 P2 '
_cod_database_code               4308506