Information card for entry 1545185

Structure parameters

• Formula: C24 H39 Np Si3
• Calculated formula: C24 H39 Np Si3
• SMILES: [Np]123456789%10%11%12([cH]%13[cH]%10[c]%11([cH]2[cH]1%13)[Si](C)(C)C)([c]1([cH]6[cH]5[cH]4[cH]31)[Si](C)(C)C)[cH]1[c]%12([Si](C)(C)C)[cH]9[cH]8[cH]71
• Title of publication: Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding
• Authors of publication: Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 4
• Pages of publication: 2553
• a: 8.298 ± 0.0006 Å
• b: 22.1664 ± 0.0017 Å
• c: 28.917 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5318.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0866
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No