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_4323248
_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            'C24 H28 Cl N5 O7 Pb Zn'
_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'
_audit_creation_date             'Thu Jan  8 21:56:27 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 106.31(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8.00
_cell_length_a                   25.835(4)
_cell_length_b                   13.190(6)
_cell_length_c                   16.553(6)
_cell_measurement_reflns_used    19
_cell_measurement_temperature    23.0
_cell_measurement_theta_max      29.98
_cell_measurement_theta_min      29.70
_cell_volume                     5414(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      -0.01620
_diffrn_orient_matrix_UB_12      0.06942
_diffrn_orient_matrix_UB_13      -0.00785
_diffrn_orient_matrix_UB_21      0.03638
_diffrn_orient_matrix_UB_22      0.03018
_diffrn_orient_matrix_UB_23      0.02604
_diffrn_orient_matrix_UB_31      0.00637
_diffrn_orient_matrix_UB_32      0.00424
_diffrn_orient_matrix_UB_33      -0.05676
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  4.55
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
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_diffrn_reflns_limit_l_min       -2
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_diffrn_reflns_theta_max         27.4965
_diffrn_standards_decay_%        -7.04
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu_cm 72.600
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.752
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3136.00
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_refine_diff_density_max         -1.04740
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_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
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_refine_ls_number_reflns         3944
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0380
_refine_ls_shift/esd_max         7.9520
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0290
_cod_data_source_file            ic9804869_2.cif
_cod_data_source_block           ZnPbOH
_cod_original_cell_volume        5413(2)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C24 H28 O7 N5 Cl Zn Pb'
_cod_database_code               4323248