Information card for entry 4323411

Structure parameters

• Chemical name: trans-[bis(*-O){trans-tetrachloro-tetrahydrofuran-niobium(V)}]-tetrakis(tetra- hydrofuran)-magnesium dichloromethane(1/1)
• Formula: C40 H80 Cl8 Mg Nb2 O12
• Calculated formula: C40 H80 Cl8 Mg Nb2 O12
• SMILES: C1CCC[O]1[Nb](=[O][Mg]([O]1CCCC1)([O]1CCCC1)([O]=[Nb]([O]1CCCC1)(Cl)(Cl)(Cl)Cl)([O]1CCCC1)[O]1CCCC1)(Cl)(Cl)(Cl)Cl.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 16.943 ± 0.004 Å
• b: 13.365 ± 0.003 Å
• c: 26.488 ± 0.006 Å
• α: 90°
• β: 102.97 ± 0.02°
• γ: 90°
• Cell volume: 5845 ± 2 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.1141
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No