Information card for entry 7024381

Structure parameters

• Common name: Tetrafluorobis(1,2-bis(methylthio)ethane-S,S')niobium(V) hexafluoroniobate(V)
• Chemical name: Tetrafluorobis[1,2-bis(methylthio)ethane-S,S']niobium(V) hexafluoroniobate(V)
• Formula: C8 H20 F10 Nb2 S4
• Calculated formula: C8 H20 F10 Nb2 S4
• SMILES: [Nb]12([S](C)CC[S]1C)([S](C)CC[S]2C)(F)(F)(F)F.[Nb](F)(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: 14.0661 ± 0.001 Å
• b: 26.321 ± 0.002 Å
• c: 10.7327 ± 0.001 Å
• α: 90°
• β: 101.252 ± 0.005°
• γ: 90°
• Cell volume: 3897.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No