Information card for entry 4105067

Structure parameters

• Formula: C100 H162 Ga2 Nd4 O2 Si10
• Calculated formula: C100 H162 Ga2 Nd4 O2 Si10
• 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: 13.1352 ± 0.001 Å
• b: 13.1883 ± 0.001 Å
• c: 17.824 ± 0.0013 Å
• α: 90.58 ± 0.001°
• β: 103.009 ± 0.001°
• γ: 109.119 ± 0.001°
• Cell volume: 2830.7 ± 0.4 ų
• Cell temperature: 131 ± 2 K
• Ambient diffraction temperature: 131 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No