Information card for entry 7011601

Structure parameters

• Common name: complex 1
• Formula: C7 H17 N3 S3 V
• Calculated formula: C7 H16 N3 S3 V
• SMILES: [V]123(SCC[N]3(CCS1)CCS2)N(C)N
• Title of publication: Synthesis, structure and chemistry of vanadium(iv) and vanadium(v) compounds with substituted hydrazido(1‒) and hydrazido(2‒) ligands
• Authors of publication: Davies, Sian C.; Hughes, David L.; Konkol, Martin; Richards, Raymond L.; Sanders, J. Roger; Sobota, Piotr
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 14
• Pages of publication: 2811
• a: 7.7299 ± 0.0011 Å
• b: 9.736 ± 0.002 Å
• c: 16.638 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1252.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.1301
• Goodness-of-fit parameter for all reflections: 1.133
• Goodness-of-fit parameter for significantly intense reflections: 1.163
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No