Information card for entry 4326525

Structure parameters

• Common name: SUT-1b
• Formula: C12 H77.95 Ge22 N12 Ni O60.04
• Calculated formula: C12 H77.9514 Ge22 N12 Ni O60.04
• Title of publication: Two Open-Framework Germanates with Nickel Complexes Incorporated into the Framework
• Authors of publication: Shiliang Huang; Kirsten Christensen; Maxim V. Peskov; Sihai Yang; Kuo Li; Xiaodong Zou; Junliang Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9921 - 9923
• a: 10.8907 ± 0.0002 Å
• b: 30.9833 ± 0.0005 Å
• c: 20.789 ± 0.0005 Å
• α: 90°
• β: 98.228 ± 0.002°
• γ: 90°
• Cell volume: 6942.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No