Information card for entry 4075195

Structure parameters

• Formula: C12 H24 Cl6 Nb2 S3
• Calculated formula: C12 H24 Cl6 Nb2 S3
• Title of publication: Dinuclear Niobium(III) Complexes [{NbCl2(L)}2(μ-Cl)2(μ-L)] (L = tetrahydrothiophene, dimethyl sulfide): Preparation, Molecular Structures, and the Catalytic Activity for the Regioselective Cyclotrimerization of Alkynes
• Authors of publication: Kakeya, Masaki; Fujihara, Takashi; Kasaya, Takashi; Nagasawa, Akira
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4131
• a: 11.749 ± 0.002 Å
• b: 20.215 ± 0.004 Å
• c: 9.792 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2325.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No