Information card for entry 7209001

Structure parameters

• Formula: C30 H42 Li N3 O13 V
• Calculated formula: C30 H42 Li N3 O13 V
• Title of publication: Expansion of sodalite-type metal‒organic frameworks with heterometallic metal‒oxo cluster and its cation exchange property
• Authors of publication: Zhang, Tian-Zhan; Zhang, Zhi-Ming; Lu, Ying; Fu, Hai; Wang, En-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 459
• a: 18.079 ± 0.004 Å
• b: 16.435 ± 0.003 Å
• c: 11.603 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3447.6 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No