Information card for entry 7002296

Structure parameters

• Common name: catena-(tetrafluorobis(mu-1,2-bis(methylthiomethyl)benzene- S,S')niobium(V)) undecafluoro-diniobate(V) dichloromethane solvate
• Chemical name: catena-(tetrafluorobis(μ-1,2-bis(methylthiomethyl)benzene-S,S')niobium(V)) undecafluoro-diniobate(V) dichloromethane solvate
• Formula: C21 H30 Cl2 F15 Nb3 S4
• Calculated formula: C21 H30 Cl2 F15 Nb3 S4
• Title of publication: Isolation and structures of sulfonium salts derived from thioethers: [{o-C6H4(CH2SMe)2}H][NbF6] and [{[9]aneS3}H][NbF6]
• Authors of publication: Jura, Marek; Levason, William; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7610 - 7612
• a: 12.5263 ± 0.001 Å
• b: 13.318 ± 0.0015 Å
• c: 14.3186 ± 0.0015 Å
• α: 114.254 ± 0.006°
• β: 109.892 ± 0.006°
• γ: 97.279 ± 0.006°
• Cell volume: 1946.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0962
• Residual factor for significantly intense reflections: 0.0857
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No