Information card for entry 4323413

Structure parameters

• Chemical name: trans-[bis(*-O){trans-tetrachloro-tetrahydrofuran-niobium(V)}]- tris(tetrahydrofuran)chloroaluminium]
• Formula: C20 H40 Al Cl9 Nb2 O7
• Calculated formula: C20 H40 Al Cl9 Nb2 O7
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)(O[Al](Cl)(O[Nb](Cl)(Cl)(Cl)(Cl)[O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Molecular Structures of the Magnesium and Aluminum Adducts of a Niobium-Oxo Complex. X-ray Crystal Structures of [{NbOCl4(THF)}2Mg(THF)4] and [{NbOCl4(THF)}2AlCl(THF)3]
• Authors of publication: Piotr Sobota; Józef Utko; Sławomir Szafert
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2227 - 2229
• a: 12.051 ± 0.003 Å
• b: 13.794 ± 0.004 Å
• c: 14.948 ± 0.004 Å
• α: 67.17 ± 0.03°
• β: 78.7 ± 0.02°
• γ: 65.03 ± 0.03°
• Cell volume: 2074.6 ± 1.2 ų
• Cell temperature: 300 ± 1 K
• Ambient diffraction temperature: 300 ± 1 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: 0.0377
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.1009
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No