Information card for entry 7006826

Structure parameters

• Formula: C32 H36 N6 Nd2
• Calculated formula: C32 H36 N6 Nd2
• SMILES: [Nd]123456789%10([NH]([Nd]%11%12%13%14%15%16%17%18%19([NH]2c2[n]%18c(cc(n2)C)C)([cH]2[cH]%13[cH]%19[cH]%12[cH]%112)[cH]2[cH]%17[cH]%16[cH]%15[cH]%142)c2[n]1c(cc(n2)C)C)([cH]1[cH]5[cH]4[cH]%10[cH]31)[cH]1[cH]6[cH]7[cH]8[cH]91
• 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: 12.155 ± 0.003 Å
• b: 16.87 ± 0.005 Å
• c: 16.225 ± 0.003 Å
• α: 90°
• β: 108.3 ± 0.02°
• γ: 90°
• Cell volume: 3158.8 ± 1.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No