Macrocyclic Heterodinuclear ZnIIPbII Complexes: Synthesis, Structures, and Hydrolytic Function toward Tris(p-nitrophenyl) Phosphate
Masako Yamami; Hideki Furutachi; Takushi Yokoyama; Hisashi Ōkawa; Inorganic Chemistry 37 (1998) 6832–6838; doi:10.1021/ic9804869

data_4323249
_publ_section_title
;
 Macrocyclic Heterodinuclear ZnIIPbII Complexes: Synthesis, Structures,
 and Hydrolytic Function toward Tris(p-nitrophenyl) Phosphate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6832
_journal_page_last               6838
_journal_paper_doi               10.1021/ic9804869
_journal_volume                  37
_journal_year                    1998
_chemical_formula_sum            'C36 H35 Cl N7 O14 P Pb Zn'
_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'
_audit_creation_date             'Thu Jan  8 21:59:31 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                94.71(6)
_cell_angle_beta                 97.02(6)
_cell_angle_gamma                61.68(5)
_cell_formula_units_Z            2.00
_cell_length_a                   13.494(9)
_cell_length_b                   13.88(1)
_cell_length_c                   12.765(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      30.04
_cell_measurement_theta_min      29.83
_cell_volume                     2088(3)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_publication_material  'teXsan: FINISH (MSC)'
_computing_structure_refinement  'teXsan: LS (MSC)'
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      23.0
_diffrn_measurement_device       AFC7R
_diffrn_measurement_method       'omega/2-theta scans'
_diffrn_orient_matrix_UB_11      -0.08049
_diffrn_orient_matrix_UB_12      0.04952
_diffrn_orient_matrix_UB_13      0.01351
_diffrn_orient_matrix_UB_21      -0.00169
_diffrn_orient_matrix_UB_22      -0.06042
_diffrn_orient_matrix_UB_23      0.03607
_diffrn_orient_matrix_UB_31      0.02586
_diffrn_orient_matrix_UB_32      0.02451
_diffrn_orient_matrix_UB_33      0.06893
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.34
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -2
_diffrn_reflns_limit_l_max       1
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7566
_diffrn_reflns_theta_max         25.0138
_diffrn_standards_decay_%        -1.80
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 47.839
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1112.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_min          0.150
_refine_diff_density_max         -1.29130
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_refine_ls_extinction_coef       2.77831
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   6.150
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         6070
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0440
_refine_ls_shift/esd_max         0.0080
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0560
_cod_data_source_file            ic9804869_3.cif
_cod_data_source_block           ZnPb(BNP)
_cod_original_cell_volume        2088(2)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C36 H35 O14 N7 P Cl Zn Pb'
_cod_database_code               4323249