Information card for entry 4103993

Structure parameters

• Chemical name: [K-(2,2,2-crypt)]3[Fe@Ge10]*2en
• Formula: C58 H124 Fe Ge10 K3 N10 O18
• Calculated formula: C58 H124.04 Fe Ge10 K3 N10 O18
• Title of publication: Synthesis and Isolation of [Fe@Ge10]3-: A Pentagonal Prismatic Zintl Ion Cage Encapsulating an Interstitial Iron Atom
• Authors of publication: Binbin Zhou; Mark S. Denning; Deborah L. Kays; Jose M. Goicoechea
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2802 - 2803
• a: 14.4014 ± 0.0001 Å
• b: 15.7227 ± 0.0001 Å
• c: 21.6608 ± 0.0002 Å
• α: 93.2587 ± 0.0003°
• β: 100.404 ± 0.0003°
• γ: 107.279 ± 0.0004°
• Cell volume: 4574.28 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No