Information card for entry 7000619

Structure parameters

• Common name: (K-(2,2,2-crypt))3(Ge9Zn(C9H11))
• Chemical name: [K-(2,2,2-crypt)]3[Ge9Zn(C9H11)]
• Formula: C63 H119 Ge9 K3 N6 O18 Zn
• Calculated formula: C63 H119 Ge9 K3 N6 O18 Zn
• SMILES: [Ge]123[Ge]456[Ge]781[Ge]192[Ge]234[Ge]349[Ge]981[Ge]157[Ge]623[Zn]491c1c(cc(cc1C)C)C.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9
• Title of publication: Reductive cleavage of Zn‒C bonds by group 14 Zintl anions: synthesis and characterisation of [E9ZnR]3− (E = Ge, Sn, Pb; R = Mes, iPr)
• Authors of publication: Zhou, Binbin; Denning, Mark S.; Jones, Carl; Goicoechea, Jose M.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1571 - 1578
• a: 17.3897 ± 0.0001 Å
• b: 22.4685 ± 0.0002 Å
• c: 22.0943 ± 0.0002 Å
• α: 90°
• β: 98.0425 ± 0.0003°
• γ: 90°
• Cell volume: 8547.79 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No