Metal‒organic frameworks constructed from flexible ditopic ligands: conformational diversity of an aliphatic ligand
Kim, Tae Kyung; Lee, Kyung Joo; Choi, Min; Park, Noejung; Moon, Dohyun; Moon, Hoi Ri; New Journal of Chemistry 37 (2013) 4130–; doi:10.1039/c3nj00812f

data_7054073
_publ_section_title
;
 Metal--organic frameworks constructed from flexible ditopic ligands:
 conformational diversity of an aliphatic ligand
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              4130
_journal_paper_doi               10.1039/c3nj00812f
_journal_volume                  37
_journal_year                    2013
_chemical_formula_moiety         'C33 H50 N2 O20 Tb3'
_chemical_formula_sum            'C33 H50 N2 O20 Tb3'
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_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_cell_formula_units_Z            4
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_cell_measurement_theta_min      2.26
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_computing_cell_refinement       DENZO
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_computing_molecular_graphics    'ORTEP 3'
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_computing_structure_solution    'SHELXL-2013-XS (Sheldrick, 2013)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Enraf-Nonius Kappa CCD'
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_theta_full        25.242
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_diffrn_reflns_theta_min         2.258
_diffrn_source                   'fine-focus sealed tube'
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_exptl_absorpt_correction_T_min  0.434
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'DENZO Scalepack'
_exptl_crystal_colour            colorless
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_exptl_crystal_description       'parallel piped'
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_refine_ls_R_factor_all          0.0638
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0301P)^2^+14.5087P] where P=(Fo^2^+2Fc^2^)/3'
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