Information card for entry 7006824

Structure parameters

• Formula: C46 H52 N6 Yb2
• Calculated formula: C46 H52 N6 Yb2
• SMILES: [Yb]123456789%10([NH]([Yb]%11%12%13%14%15%16%17%18%19([NH]1c1nc(cc([n]%181)C)C)([cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[cH]1[cH]%17[cH]%19[cH]%16[cH]%151)c1nc(cc([n]21)C)C)([cH]1[cH]3[cH]4[cH]%10[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91.c1ccccc1C.c1ccccc1C
• Title of publication: A structural and magnetic study of organolanthanide(III) amides.
• Authors of publication: Layfield, Richard A.; Bashall, Alan; McPartlin, Mary; Rawson, Jeremy M.; Wright, Dominic S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 13
• Pages of publication: 1660 - 1666
• a: 13.12 ± 0.0002 Å
• b: 13.6353 ± 0.0003 Å
• c: 23.2134 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4152.76 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No