Information card for entry 7112230

Structure parameters

• Formula: C44 H80 Ge8 K4 Mo2 N2 O24
• Calculated formula: C44 H72 Ge8 K4 Mo2 N2 O24
• SMILES: [Mo]12([Ge]345[Mo]67([Ge]893[Ge]37[Ge]16[Ge]1[Ge]625[Ge]48[Ge]9316)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[K+].[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.C(CN)N
• Title of publication: [Ge8(Mo(CO)3)2]^4-^: an unprecedented 20-electron empty ten-vertex Zintl cluster
• Authors of publication: Yi Wang; Qian Qin; Jinyun Wang; Ruili Sang; Li Xu
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4181
• a: 13.497 ± 0.004 Å
• b: 30.191 ± 0.009 Å
• c: 18.4 ± 0.006 Å
• α: 90°
• β: 109.848 ± 0.006°
• γ: 90°
• Cell volume: 7052 ± 4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0628
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1165
• 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: No
• Has Fobs: No