Information card for entry 4105065

Structure parameters

• Formula: C34 H54 Ga Si3 U
• Calculated formula: C34 H54 Ga Si3 U
• SMILES: [U]123456789%10%11%12([Ga]%13%14%15%16[c]%17([c]%16([c]%15([c]%14([c]%13%17C)C)C)C)C)([c]%13([cH]1[cH]2[cH]3[cH]4%13)[Si](C)(C)C)([c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81)[c]1([cH]%12[cH]%11[cH]%10[cH]91)[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: 16.4174 ± 0.001 Å
• b: 12.8384 ± 0.0008 Å
• c: 17.5249 ± 0.0011 Å
• α: 90°
• β: 90.174 ± 0.001°
• γ: 90°
• Cell volume: 3693.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No