Information card for entry 7024380

Structure parameters

• Common name: tetrafluoro-tetrakis(dimethylsulfide-S)niobium(V) hexafluoroniobate(V)
• Chemical name: tetrafluoro-tetrakis(dimethylsulfide-S)niobium(V) hexafluoroniobate(V)
• Formula: C8 H24 F10 Nb2 S4
• Calculated formula: C8 H24 F10 Nb2 S4
• SMILES: C[S]([Nb](F)(F)(F)(F)([S](C)C)([S](C)C)[S](C)C)C.F[Nb](F)(F)(F)(F)[F-]
• Title of publication: Six- and eight-coordinate thio- and seleno-ether complexes of NbF5 and some comparisons with NbCl5 and NbBr5 adducts.
• Authors of publication: Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 883 - 891
• a: 12.283 ± 0.005 Å
• b: 12.283 ± 0.005 Å
• c: 13.86 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2091.1 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1033
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No