Chiral template induced homochiral MOFs built from achiral components: SHG enhancement and enantioselective sensing of chiral alkamines by ion-exchange
Yun-Hu Han; Yue-Cheng Liu; Xiu-Shuang Xing; Chong-Bin Tian; Ping Lin; Shao-Wu Du; Chem.Commun. 51 (2015) 14481–; doi:10.1039/C5cc05566K

data_7117808
_publ_section_title
;
 Chiral template induced homochiral MOFs built from achiral components:
 SHG enhancement and enantioselective sensing of chiral alkamines by
 ion-exchange
;
_journal_name_full               Chem.Commun.
_journal_page_first              14481
_journal_paper_doi               10.1039/C5cc05566K
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C152 H120 Cd8 N4 O54'
_chemical_formula_weight         3765.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-07-05 deposited with the CCDC.
2015-08-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.775(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.745(5)
_cell_length_b                   16.263(4)
_cell_length_c                   26.250(7)
_cell_measurement_reflns_used    18239
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4855
_cell_measurement_theta_min      2.2904
_cell_volume                     7575(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.1077
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            80878
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    1.191
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6831
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3752
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.2000
_refine_diff_density_max         3.436
_refine_diff_density_min         -2.082
_refine_diff_density_rms         0.242
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.14(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1958
_refine_ls_number_reflns         32308
_refine_ls_number_restraints     94
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0857
_refine_ls_R_factor_gt           0.0712
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1287P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2074
_refine_ls_wR_factor_ref         0.2339
_reflns_number_gt                24967
_reflns_number_total             32308
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc05566k2.cif
_cod_data_source_block           a1
_cod_original_cell_volume        7575(4)
_cod_original_sg_symbol_H-M      'P 2 1'
_cod_database_code               7117808