Information card for entry 2211749

Structure parameters

• Chemical name: Bis{6-methoxy-2-[(4-methylphenylimino)methyl]phenol-κ^2^O,O'}tri(nitrato- κ^2^O,O')terbium(III) monohydrate
• Formula: C30 H32 N5 O14 Tb
• Calculated formula: C30 H32 N5 O14 Tb
• SMILES: [Tb]12345(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)([O](c1cccc(/C=[NH+]\c2ccc(C)cc2)c1O4)C)[O](c1cccc(\C=[NH+]/c2ccc(C)cc2)c1O5)C.O
• Title of publication: Bis{6-methoxy-2-[(4-methylphenylimino)methyl]phenol-κ^2^<i>O</i>,<i>O</i>'}tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III) monohydrate
• Authors of publication: Zhao, Guo-Liang; Shi, Xia; Seik Weng Ng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m267 - m268
• a: 9.811 ± 0.002 Å
• b: 9.976 ± 0.002 Å
• c: 18.482 ± 0.004 Å
• α: 98.42 ± 0.03°
• β: 101.54 ± 0.03°
• γ: 105.9 ± 0.03°
• Cell volume: 1665.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes