Information card for entry 7012300

Structure parameters

• Formula: C11 H17 Nb S4
• Calculated formula: C11 H17 Nb S4
• SMILES: [Nb]123456(SCCCS1)(SCCCS2)[cH]1[cH]6[cH]5[cH]4[cH]31
• Title of publication: Synthesis and structures of monocyclopentadienylniobium complexes with bi- and tri-dentate dithiolate ligandsElectronic supplementary information (ESI) available: NMR data for compounds 1 and 2 in d8-toluene; cyclic voltammogram of compound 1; ESR spectrum of reduced compound 1. See http://www.rsc.org/suppdata/dt/b2/b209823g/
• Authors of publication: Dersch, Roland K.; Jungclas, Henrik; Lindsell, W. Edward; Rosair, Georgina M.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 126
• a: 10.101 ± 0.003 Å
• b: 12.739 ± 0.004 Å
• c: 11.188 ± 0.004 Å
• α: 90°
• β: 95.37 ± 0.03°
• γ: 90°
• Cell volume: 1433.3 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2239
• Residual factor for significantly intense reflections: 0.1275
• Weighted residual factors for significantly intense reflections: 0.306
• Weighted residual factors for all reflections included in the refinement: 0.4358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No