A Zinc(II)-Included Hemicryptophane: Facile Synthesis, Characterization, and Catalytic Activity
Yoshimasa Makita; Kazuya Sugimoto; Kenta Furuyoshi; Keisuke Ikeda; Shin-ichi Fujiwara; Tsutomu Shin-ike; Akiya Ogawa; Inorganic Chemistry 49 (2010) 7220–7222; doi:10.1021/ic100725j

data_4316234
_publ_contact_author_email       makita@cc.osaka-dent.ac.jp
_publ_contact_author_fax         +81-72-864-3162
_publ_contact_author_name        'Yoshimasa Makita'
_publ_section_title
;
 A Zinc(II)-Included Hemicryptophane: Facile Synthesis, Characterization,
 and Catalytic Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7220
_journal_page_last               7222
_journal_paper_doi               10.1021/ic100725j
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C53 H57 N4 O8 Zn, C2 H3 O2, 3(H2 O) '
_chemical_formula_sum            'C55 H66 N4 O13 Zn'
_chemical_formula_weight         1056.53
_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             2010-05-19
_audit_creation_method           'by CrystalStructure 3.8'
_cell_angle_alpha                64.3547(10)
_cell_angle_beta                 78.9111(12)
_cell_angle_gamma                81.7640(12)
_cell_formula_units_Z            2
_cell_length_a                   11.1164(5)
_cell_length_b                   15.0225(6)
_cell_length_c                   17.5824(8)
_cell_measurement_reflns_used    14682
_cell_measurement_temperature    133.1
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     2591.5(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      133.1
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21429
_diffrn_reflns_theta_full        25.31
_diffrn_reflns_theta_max         25.31
_exptl_absorpt_coefficient_mu    0.543
_exptl_absorpt_correction_T_max  0.932
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.354
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1116.00
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         3.47
_refine_diff_density_min         -0.94
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.128
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     659
_refine_ls_number_reflns         9402
_refine_ls_R_factor_gt           0.0681
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1337P)^2^+6.2803P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2441
_reflns_number_gt                6899
_reflns_number_total             9402
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic100725j_si_002.cif
_cod_data_source_block           '_No2'
_cod_original_cell_volume        2591.55(20)
_cod_original_formula_sum        'C55 H66 N4 O13 Zn '
_cod_database_code               4316234