Information card for entry 1548078

Structure parameters

• Formula: C56 H116 As4.79 Ge8 K3 N8 O18 Ta
• Calculated formula: C47 H98.0001 As4.79065 Ge8.0004 K3 N7 O15 Ta
• Title of publication: Understanding of multimetallic cluster growth
• Authors of publication: Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen
• Journal of publication: Nature Communications
• Year of publication: 2016
• Journal volume: 7
• Pages of publication: 10480
• a: 16.6082 ± 0.0005 Å
• b: 22.696 ± 0.0008 Å
• c: 23.9068 ± 0.0008 Å
• α: 94.96 ± 0.003°
• β: 94.036 ± 0.003°
• γ: 91.402 ± 0.003°
• Cell volume: 8951.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.1973
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No