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_4323247
_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            'C31 H45 Cl2 N7 O13 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 21:57:23 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                109.04(5)
_cell_angle_beta                 96.24(5)
_cell_angle_gamma                102.56(3)
_cell_formula_units_Z            2.00
_cell_length_a                   14.457(4)
_cell_length_b                   14.795(6)
_cell_length_c                   10.307(9)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      29.98
_cell_measurement_theta_min      28.82
_cell_volume                     1995(2)
_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      -0.06678
_diffrn_orient_matrix_UB_12      0.00785
_diffrn_orient_matrix_UB_13      0.00330
_diffrn_orient_matrix_UB_21      0.02736
_diffrn_orient_matrix_UB_22      0.07318
_diffrn_orient_matrix_UB_23      0.05012
_diffrn_orient_matrix_UB_31      -0.00349
_diffrn_orient_matrix_UB_32      0.00973
_diffrn_orient_matrix_UB_33      -0.09180
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  7.31
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            5058
_diffrn_reflns_theta_max         22.5478
_diffrn_standards_decay_%        -13.84
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 50.255
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.790
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.776
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1060.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_min          0.100
_refine_diff_density_max         -1.73720
_refine_diff_density_min         1.74270
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   2.380
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         3532
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0580
_refine_ls_shift/esd_max         5.6460
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0600
_cod_data_source_file            ic9804869_1.cif
_cod_data_source_block           ZnPbClO4
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C31 H45 O13 N7 Cl2 Zn Pb'
_cod_database_code               4323247