A Homochiral Porous Metal-Organic Framework for Highly Enantioselective Heterogeneous Asymmetric Catalysis
Chuan-De Wu; Aiguo Hu; Lin Zhang; Wenbin Lin; Journal of the American Chemical Society 127 (2005) 8940–8941; doi:10.1021/ja052431t

data_4111795
_publ_section_title
;
 A Homochiral Porous Metal-Organic Framework for Highly Enantioselective
 Heterogeneous Asymmetric Catalysis
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8940
_journal_page_last               8941
_journal_paper_doi               10.1021/ja052431t
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C97 H105 Cd3 Cl12 N9 O21'
_chemical_formula_weight         2495.50
_chemical_name_systematic
;
 ?
;
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_cell_angle_beta                 86.753(3)
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_cell_length_b                   19.1180(10)
_cell_length_c                   20.9287(10)
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.29
_cell_measurement_theta_min      2.11
_cell_volume                     3760.8(3)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPREP'
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_computing_structure_solution    'Siemens SHELXTL'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_theta_full        24.29
_diffrn_reflns_theta_max         24.29
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        none
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_exptl_absorpt_correction_T_min  0.8041
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Bloc
_exptl_crystal_F_000             1266
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_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.602
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.1200
_refine_ls_R_factor_gt           0.0827
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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_refine_ls_wR_factor_ref         0.2582
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_reflns_threshold_expression     >2sigma(I)
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