Information card for entry 1548076

Structure parameters

• Formula: C36 H72 As2 Ge7 K2 N4 O12
• Calculated formula: C36 H72 As2.0007 Ge6.9984 K2 N4 O12
• 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: 11.8653 ± 0.0003 Å
• b: 11.8653 ± 0.0003 Å
• c: 22.3848 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2729.24 ± 0.15 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.109
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No