Information card for entry 4114352

Structure parameters

• Chemical name: (K-crypt)2[[Ph-(Ge9)-SbPh2].tol
• Formula: C61 H95 Ge9 K2 N4 O12 Sb
• Calculated formula: C61 H95 Ge9 K2 N4 O12 Sb
• SMILES: [Sb](c1ccccc1)(c1ccccc1)[Ge]123[Ge]456[Ge]78[Ge]9%104[Ge]4%118[Ge]157[Ge]24[Ge]%10%11([Ge]369)c1ccccc1.[K]1234567[O]8CC[N]96CC[O]1CC[O]3CC[N]7(CC[O]2CC8)CC[O]4CC[O]5CC9.[K]1234567[O]8CC[O]1CC[N]16CC[O]3CC[O]4CC[N]7(CC8)CC[O]5CC[O]2CC1.Cc1ccccc1
• 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: 23.584 ± 0.004 Å
• b: 24.664 ± 0.004 Å
• c: 12.91 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7509 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No