Information card for entry 2207757

Structure parameters

• Common name: none
• Chemical name: Hexaaquadodeca-μ-chloro-hexaniobium(II,III) dichloride 2,2'-bipyridine trisolvate
• Formula: C30 H36 Cl14 N6 Nb6 O6
• Calculated formula: C30 H36 Cl14 N6 Nb6 O6
• SMILES: c1(ccccn1)c1ccccn1.c1(ccccn1)c1ncccc1.[OH2][Nb]123[Cl][Nb]45([OH2])[Cl][Nb]67([OH2])[Cl][Nb]([OH2])([Cl]1)([Cl][Nb]([OH2])([Cl]2)([Cl]6)[Cl]4)[Cl][Nb]([OH2])([Cl]7)([Cl]5)[Cl]3.[Cl-].c1(ccccn1)c1ncccc1.[Cl-]
• Title of publication: Hexaaquadodeca-μ-chloro-hexaniobium(II,III) dichloride 2,2'-bipyridine trisolvate
• Authors of publication: Maria S. Tarasenko; Alexander V. Virovets; Nikolai G. Naumov; Vladimir E. Fedorov
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m175 - m178
• a: 10.1546 ± 0.0012 Å
• b: 11.2503 ± 0.0015 Å
• c: 12.2583 ± 0.0011 Å
• α: 74.822 ± 0.004°
• β: 74.551 ± 0.004°
• γ: 70.901 ± 0.004°
• Cell volume: 1251.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes