Information card for entry 7013760

Structure parameters

• Formula: C31 H43 Ce N2
• Calculated formula: C31 H43 Ce N2
• SMILES: [Ce]123456789%10%11%12([n]%13ccncc%13)([c]%13([cH]4[cH]3[cH]2[cH]1%13)C(C)(C)C)([c]1([cH]8[cH]7[cH]6[cH]51)C(C)(C)C)[c]1([cH]%12[cH]%11[cH]%10[cH]91)C(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: 10.9926 ± 0.0004 Å
• b: 8.4351 ± 0.0002 Å
• c: 30.1082 ± 0.0013 Å
• α: 90°
• β: 96.049 ± 0.002°
• γ: 90°
• Cell volume: 2776.2 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No