Highly selective acetone fluorescent sensors based on microporous Cd(ii) metal‒organic frameworks
Yi, Fei-Yan; Yang, Weiting; Sun, Zhong-Ming; Journal of Materials Chemistry 22 (2012) 23201–; doi:10.1039/c2jm35273g

data_7215112
_publ_section_title
;
 Highly selective acetone fluorescent sensors based on microporous Cd(ii)
 metal--organic frameworks
;
_journal_issue                   43
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              23201
_journal_paper_doi               10.1039/c2jm35273g
_journal_volume                  22
_journal_year                    2012
_chemical_formula_sum            'C71 H79 Cd3 N5 O26'
_chemical_formula_weight         1755.59
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.685(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.373(6)
_cell_length_b                   11.367(3)
_cell_length_c                   36.596(10)
_cell_measurement_temperature    273(2)
_cell_volume                     10048(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0483
_diffrn_reflns_av_sigmaI/netI    0.0611
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            53896
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.5551
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.161
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       brick
_exptl_crystal_F_000             3568
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.375
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     860
_refine_ls_number_reflns         19841
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0775
_refine_ls_shift/su_max          0.069
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1343P)^2^+31.8335P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2250
_refine_ls_wR_factor_ref         0.2469
_reflns_number_gt                14244
_reflns_number_total             19841
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2jm35273g.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7215112