Information card for entry 7024385

Structure parameters

• Common name: 1,2-bis(methylthiomethyl)benzenebis(pentachloroniobium(V))
• Chemical name: 1,2-bis(methylthiomethyl)benzenebis(pentachloroniobium(V))
• Formula: C10 H14 Cl10 Nb2 S2
• Calculated formula: C10 H14 Cl10 Nb2 S2
• 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: 10.3087 ± 0.0005 Å
• b: 22.4368 ± 0.0015 Å
• c: 10.3102 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2384.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No