Information card for entry 4105066

Structure parameters

• Formula: C24 H39 Nd Si3
• Calculated formula: C24 H39 Nd Si3
• SMILES: [Nd]123456789%10%11%12([cH]%13[cH]4[cH]3[cH]2[c]1%13[Si](C)(C)C)([c]1([cH]8[cH]7[cH]6[cH]51)[Si](C)(C)C)[cH]1[cH]9[cH]%10[cH]%11[c]%121[Si](C)(C)C
• Title of publication: A Comparison of 4f vs 5f Metal-Metal Bonds in (CpSiMe3)3M-ECp* (M = Nd, U; E = Al, Ga; Cp* = C5Me5): Synthesis, Thermodynamics, Magnetism, and Electronic Structure
• Authors of publication: Stefan G. Minasian; Jamin L. Krinsky; Jeffrey D. Rinehart; Roy Copping; Tolek Tyliszczak; Markus Janousch; David K. Shuh; John Arnold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13767 - 13783
• a: 8.3245 ± 0.0005 Å
• b: 22.2396 ± 0.0012 Å
• c: 28.9822 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5365.6 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No