Information card for entry 2224000

Structure parameters

• Chemical name: Bis[6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate- κ<i>O</i>^1^]tris(nitrato-κ^2^<i>O</i>,<i>O</i>')ytterbium(III) monohydrate
• Formula: C30 H32 N5 O14 Yb
• Calculated formula: C30 H32 N5 O14 Yb
• SMILES: [Yb]12345(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=[O]5)=O)([O]=c3c(cccc3[O]1C)=CNc1ccc(cc1)C)[O]=c1c(cccc1[O]2C)=CNc1ccc(cc1)C.O
• Title of publication: Bis[6-methoxy-2-[(4-methylphenyl)iminiomethyl]phenolate-κ<i>O</i>^1^]tris(nitrato-κ^2^<i>O</i>,<i>O</i>')ytterbium(III) monohydrate
• Authors of publication: Liu, Jian-Feng; Liu, Jia-Lu; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1385 - m1386
• a: 9.6878 ± 0.0001 Å
• b: 9.921 ± 0.0002 Å
• c: 18.5998 ± 0.0003 Å
• α: 97.341 ± 0.001°
• β: 101.929 ± 0.001°
• γ: 106.593 ± 0.001°
• Cell volume: 1642.63 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes