Information card for entry 4114354

Structure parameters

• Chemical name: (K-crypt)2K4[Ge9-Ge9].8en
• Formula: C26 H61 Ge9 K3 N10 O6
• Calculated formula: C26 H61 Ge9 K3 N10 O6
• SMILES: [Ge]1234[Ge]56[Ge]781[Ge]19%10[Ge]%113([Ge]25[Ge]1%11[Ge]679)[Ge]48%10.[K+].[K]1234567[O]8CC[O]2CC[N]27CC[O]4CC[O]1CC[N]6(CC8)CC[O]3CC[O]5CC2.[K+].C(CN)N.C(CN)N.C(N)CN.NCCN
• Title of publication: Derivatization of Deltahedral Zintl Ions by Nucleophilic Addition: [Ph-Ge9-SbPh2]2-and [Ph2Sb-Ge9-Ge9-SbPh2]4-
• Authors of publication: Angel Ugrinov; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14059 - 14064
• a: 9.3854 ± 0.0005 Å
• b: 13.5391 ± 0.0007 Å
• c: 19.456 ± 0.001 Å
• α: 84.522 ± 0.001°
• β: 81.39 ± 0.001°
• γ: 80.176 ± 0.001°
• Cell volume: 2402.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No