Information card for entry 7012301

Structure parameters

• Formula: C9 H13 Cl2 Nb S3
• Calculated formula: C9 H13 Cl2 Nb S3
• SMILES: [Nb]123456(Cl)(Cl)(SCC[S]1CCS2)[cH]1[cH]3[cH]4[cH]5[cH]61
• 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: 7.907 ± 0.001 Å
• b: 12.459 ± 0.001 Å
• c: 13.146 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295.1 ± 0.2 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No