Information card for entry 7024383

Structure parameters

• Common name: Pentabromo(dimethylsulfide-S)niobium(V)
• Chemical name: Pentabromo(dimethylsulfide-S)niobium(V)
• Formula: C2 H6 Br5 Nb S
• Calculated formula: C2 H6 Br5 Nb S
• 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: 7.2922 ± 0.0005 Å
• b: 23.641 ± 0.003 Å
• c: 12.9072 ± 0.001 Å
• α: 90°
• β: 92.267 ± 0.005°
• γ: 90°
• Cell volume: 2223.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No