Information card for entry 4111729

Structure parameters

• Chemical name: (K-crypt)4(Pd2@Ge18)*2tol
• Formula: C86 H160 Ge18 K4 N8 O24 Pd2
• Calculated formula: C86 H160 Ge18 K4 N8 O24 Pd2
• SMILES: [Ge]123[Ge]45[Ge]67[Ge]8[Pd]9%10%11%12%13146[Ge]14[Ge]259[Ge]3%10[Ge]2[Ge]3([Ge]56[Ge]9%10[Ge]%145[Ge]58[Ge]4[Pd]4%13236%10%145[Ge]9([Ge]74)[Ge]%12)[Ge]%111.[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.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC8)CC[O]7CC[O]6CC9.Cc1ccccc1.Cc1ccccc1
• Title of publication: [(Pd-Pd)@Ge18]4-: A Palladium Dimer Inside the Largest Single-Cage Deltahedron
• Authors of publication: Jose M. Goicoechea; Slavi C. Sevov
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7676 - 7677
• a: 15.324 ± 0.003 Å
• b: 27.519 ± 0.005 Å
• c: 15.849 ± 0.003 Å
• α: 90°
• β: 115.333 ± 0.003°
• γ: 90°
• Cell volume: 6041 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0779
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No