Information card for entry 7013754

Structure parameters

• Formula: C31 H48 Ce N Si3
• Calculated formula: C31 H48 Ce N Si3
• SMILES: [Ce]123456789%10%11%12([n]%13cc(cc(c%13)C)C)([c]%13([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4%13)([c]1([cH]8[cH]7[cH]6[cH]51)[Si](C)(C)C)[c]1([cH]%12[cH]%11[cH]%10[cH]91)[Si](C)(C)C
• Title of publication: Lanthanide(III)/actinide(III) differentiation in coordination of azine molecules to tris(cyclopentadienyl) complexes of cerium and uranium.
• Authors of publication: Mehdoui, Thouraya; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 579 - 590
• a: 10.4967 ± 0.0003 Å
• b: 20.201 ± 0.0008 Å
• c: 15.8279 ± 0.0005 Å
• α: 90°
• β: 98.302 ± 0.002°
• γ: 90°
• Cell volume: 3321.04 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No