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_4308507
_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         'C108 H132 Cl4 Cu6 N18 O40 P4 '
_chemical_formula_sum            'C108 H132 Cl4 Cu6 N18 O40 P4'
_chemical_formula_weight         2969.31
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.844(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.221(4)
_cell_length_b                   39.832(10)
_cell_length_c                   22.519(6)
_cell_measurement_reflns_used    13966
_cell_measurement_temperature    223.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     16227(7)
_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 0.9945
_diffrn_measured_fraction_theta_max 0.9945
_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  0.055
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            134604
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.947
_exptl_absorpt_correction_T_max  0.910
_exptl_absorpt_correction_T_min  0.708
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             6112.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.47
_refine_diff_density_min         -2.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.699
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     830
_refine_ls_number_reflns         11009
_refine_ls_R_factor_gt           0.1080
_refine_ls_shift/su_max          0.3930
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 5.0000\s(Fo^2^) + 1.0000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1260
_reflns_number_gt                11009
_reflns_number_total             18535
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic049240wsi20040611_013029_4.cif
_cod_data_source_block           '__CuLPyMePhPO'
_cod_original_cell_volume        16226.8(69)
_cod_original_formula_sum        'C108 H132 Cl4 Cu6 N18 O40 P4 '
_cod_database_code               4308507