Information card for entry 2006387

Structure parameters

• Chemical name: Tetrachlorotetrakis(tetrahydrofuran)di-μ-thioxodiniobium(IV)
• Formula: C16 H32 Cl4 Nb2 O4 S2
• Calculated formula: C16 H32 Cl4 Nb2 O4 S2
• SMILES: S1[Nb]2(Cl)([O]3CCCC3)([O]3CCCC3)(S[Nb]12(Cl)(Cl)([O]1CCCC1)[O]1CCCC1)Cl
• Title of publication: A Bioctahedral Nb^IV^ Cluster with Bridging Sulfides: [Nb~2~(μ-S)~2~Cl~4~(thf)~4~]
• Authors of publication: Myungok Yoon; Victor Young Jr; Gordon J. Miller; .
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1041 - 1043
• a: 16.54 ± 0.001 Å
• b: 15.605 ± 0.002 Å
• c: 10.445 ± 0.001 Å
• α: 90°
• β: 104.9 ± 0.01°
• γ: 90°
• Cell volume: 2605.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0779
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.0972
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No