Information card for entry 4323412

Structure parameters

• Chemical name: trans-[bis(*-O){trans-tetrachloro-tetrahydrofuran-niobium(V)}]-tetrakis- (tetrahydrofuran)-magnesium tetrahydrofuran(1/4)
• Formula: C25 H50 Cl10 Mg Nb2 O8
• Calculated formula: C25 H50 Cl10 Mg Nb2 O8
• SMILES: [Nb](Cl)(Cl)(Cl)(Cl)([O][Mg]([O][Nb](Cl)(Cl)(Cl)(Cl)[O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1.ClCCl
• 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: 10.855 ± 0.003 Å
• b: 15.672 ± 0.005 Å
• c: 26.552 ± 0.008 Å
• α: 90°
• β: 101.73 ± 0.03°
• γ: 90°
• Cell volume: 4423 ± 2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No