Information card for entry 7013761

Structure parameters

• Formula: C33 H47 Ce N2
• Calculated formula: C33 H47 Ce N2
• SMILES: [Ce]123456789%10%11%12([n]%13cc(nc(c%13)C)C)([c]%13([cH]1[cH]2[cH]3[cH]4%13)C(C)(C)C)([c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)C)[c]1([cH]9[cH]%10[cH]%11[cH]%121)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: 19.9794 ± 0.001 Å
• b: 20.331 ± 0.0011 Å
• c: 15.4327 ± 0.0006 Å
• α: 90°
• β: 102.978 ± 0.003°
• γ: 90°
• Cell volume: 6108.7 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No