Information card for entry 2230578

Structure parameters

• Chemical name: Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidomolybdate(V)
• Formula: C48 H40 Mo N16 O12 Tb
• Calculated formula: C48 H40 Mo N16 O12 Tb
• SMILES: C(#N)[Mo](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.n1(=[O][Tb]([OH2])([O]=n2ccc(cc2)c2ccn(=O)cc2)([O]=n2ccc(cc2)c2ccn(=O)cc2)([O]=n2ccc(cc2)c2ccn(=O)cc2)([OH2])([OH2])[OH2])ccc(cc1)c1ccn(=O)cc1
• Title of publication: Tetraaquatetrakis(4,4'-bipyridine dioxide-κ<i>O</i>)terbium(III) octacyanidomolybdate(V)
• Authors of publication: Qian, Su-Yan; Yuan, Ai-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m845
• a: 17.9226 ± 0.0007 Å
• b: 17.9226 ± 0.0007 Å
• c: 7.8877 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2533.7 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0176
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes