Information card for entry 7013752

Structure parameters

• Formula: C33 H46 N U
• Calculated formula: C33 H46 N U
• SMILES: [U]123456789%10%11%12([n]%13cccc(c%13)C)([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]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: 10.8282 ± 0.0013 Å
• b: 10.8431 ± 0.0012 Å
• c: 14.0262 ± 0.0011 Å
• α: 109.09 ± 0.007°
• β: 98.889 ± 0.008°
• γ: 98.832 ± 0.005°
• Cell volume: 1500.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No