Information card for entry 7006825

Structure parameters

• Formula: C32 H36 Gd2 N6
• Calculated formula: C32 H36 Gd2 N6
• SMILES: [Gd]123456789%10([NH]([Gd]%11%12%13%14%15%16%17%18%19([NH]1c1[n]%18c(cc(n1)C)C)([cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[cH]1[cH]%15[cH]%16[cH]%19[cH]%171)c1[n]2c(cc(n1)C)C)([cH]1[cH]3[cH]4[cH]%10[cH]51)[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: 12.0619 ± 0.0002 Å
• b: 16.6647 ± 0.0003 Å
• c: 16.0128 ± 0.0003 Å
• α: 90°
• β: 108.596 ± 0.001°
• γ: 90°
• Cell volume: 3050.65 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No