Selective CO2 adsorption in a metal-organic framework constructed from an organic ligand with flexible joints
Dae Ho Hong; Myunghyun Paik Suh; Chem.Commun. 48 (2012) 9168–; doi:10.1039/c2cc34482c

data_7108273
_publ_section_title
;
 Selective CO2 adsorption in a metal-organic framework constructed from an
 organic ligand with flexible joints
;
_journal_name_full               Chem.Commun.
_journal_page_first              9168
_journal_paper_doi               10.1039/c2cc34482c
_journal_volume                  48
_journal_year                    2012
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C25 H16 N O6 Zn, C3 H7 N O'
_chemical_formula_sum            'C56 H46 N4 O14 Zn2'
_chemical_formula_weight         1129.71
_chemical_name_systematic
;
?
;
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_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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_date             2012-06-04T19:54:09-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
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_cell_measurement_temperature    95(2)
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_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.65
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_computing_cell_refinement       HKL3000
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_computing_data_reduction        HKL3000
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      95(2)
_diffrn_measured_fraction_theta_full 0.937
_diffrn_measured_fraction_theta_max 0.778
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_monochromator  'Si(111) double crystal monochromator'
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_diffrn_radiation_source         'PLSII 2D bending magnet'
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_diffrn_reflns_limit_h_min       -22
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_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            39643
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_diffrn_reflns_theta_max         33.39
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    0.967
_exptl_absorpt_process_details   'HKL3000 Scalepack'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_platon_squeeze_details
;
?
;
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0978P)^2^+1.4973P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_database_code               7108273