Information card for entry 7107520

Structure parameters

• Common name: (Zn3(BTEB)2(DMF)2) (TCM-1)
• Formula: C72 H44 N2 O14 Zn3
• Calculated formula: C72 H32 N2 O14 Zn3
• Title of publication: Extending the family of Zn-based MOFs: Synthetic approaches to chiral framework structures and MOFs with large pores and channels
• Authors of publication: Nianyong Zhu; Gerard Tobin; Wolfgang Schmitt
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3638
• a: 20.269 ± 0.002 Å
• b: 20.269 ± 0.002 Å
• c: 39.645 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16287 ± 3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.126
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No