Information card for entry 4332888

Structure parameters

• Formula: C10 H40 Cl14 Nb6 O10
• Calculated formula: C10 H40 Cl14 Nb6 O10
• SMILES: C[OH][Nb]123[Cl][Nb]45([OH]C)[Cl][Nb]6([Cl]2)(Cl)[Cl][Nb]2([Cl][Nb](Cl)([Cl]3)([Cl]4)[Cl][Nb]([Cl]1)([OH]C)([Cl]2)[Cl]6)([OH]C)[Cl]5.CO.CO.OC.CO.CO.CO
• Title of publication: Straightforward Synthesis and Structure of a New Starting Material for Niobium Cluster Phases: [Nb6Cli12(CH3OH)a4Cla2]·6CH3OH
• Authors of publication: Piedra-Garza, Luis Fernando; Köckerling, Martin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8829 - 8831
• a: 9.9648 ± 0.0008 Å
• b: 10.0443 ± 0.0009 Å
• c: 12.032 ± 0.0011 Å
• α: 67.53 ± 0.007°
• β: 89.104 ± 0.007°
• γ: 65.392 ± 0.006°
• Cell volume: 996.91 ± 0.17 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: 0.0654
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No