Information card for entry 4321223

Structure parameters

• Common name: Compound 4
• Formula: C6 H16 N3 S3 V
• Calculated formula: C5.932 H9.84 N3.012 S3.012 V1.004
• Title of publication: Vanadium Complexes of the N(CH2CH2S)33- and O(CH2CH2S)22- Ligands with Coligands Relevant to Nitrogen Fixation Processes
• Authors of publication: Sian C. Davies; David L. Hughes; Zofia Janas; Lucjan B. Jerzykiewicz; Raymond L. Richards; J. Roger Sanders; James E. Silverston; Piotr Sobota
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3485 - 3498
• a: 8.1566 ± 0.0008 Å
• b: 13.584 ± 0.002 Å
• c: 21.264 ± 0.017 Å
• α: 90°
• β: 100.32 ± 0.04°
• γ: 90°
• Cell volume: 2317.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1248
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections: 0.3784
• Weighted residual factors for significantly intense reflections: 0.2371
• Goodness-of-fit parameter for all reflections: 1.846
• Goodness-of-fit parameter for significantly intense reflections: 1.846
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No