Information card for entry 7006828

Structure parameters

• Formula: C37 H41 N6 O3 Yb3
• Calculated formula: C37 H41 N6 O3 Yb3
• SMILES: [Yb]12345678([O]([Yb]9%10%11%12%13%14%15%16([NH]3c3nc(cc([n]43)C)OC)([cH]3[cH]9[cH]%10[cH]%11[cH]%123)[cH]3[cH]%13[cH]%14[cH]%15[cH]%163)[Yb]349%10%11%12%13%14([NH]1c1nc(cc([n]21)C)OC)([cH]1[cH]3[cH]4[cH]9[cH]%101)[cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[cH]1[cH]5[cH]6[cH]7[cH]81
• 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: 11.383 ± 0.005 Å
• b: 17.295 ± 0.008 Å
• c: 18.602 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3662 ± 3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• 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: 0.0996
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No