Information card for entry 7023752

Structure parameters

• Common name: [2.2.2]cryptand_rubidium_triphenylzincate_ammonia
• Formula: C36 H54 N3 O6 Rb Zn
• Calculated formula: C36 H54 N3 O6 Rb Zn
• SMILES: [Rb]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.[Zn](c1ccccc1)(c1ccccc1)c1ccccc1.N
• Title of publication: Reaction of Sn4(4-) in liquid ammonia: the formation of Rb6[(η(2)-Sn4)Zn(η(3)-Sn4)]·5NH3.
• Authors of publication: Fendt, Franziska; Koch, Carina; Gärtner, Stefanie; Korber, Nikolaus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15548 - 15550
• a: 15.1253 ± 0.0001 Å
• b: 13.6233 ± 0.0001 Å
• c: 18.767 ± 0.0001 Å
• α: 90°
• β: 99.359 ± 0.001°
• γ: 90°
• Cell volume: 3815.59 ± 0.04 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• 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: 0.0263
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No