Information card for entry 4321230

Structure parameters

• Common name: Compound 13d
• Formula: C12 H16 Cl N2 S3 V
• Calculated formula: C12 H15.568 Cl N2 S3 V
• 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: 13.5753 ± 0.0011 Å
• b: 16.3 ± 0.002 Å
• c: 7.499 ± 0.0007 Å
• α: 90°
• β: 102.258 ± 0.007°
• γ: 90°
• Cell volume: 1621.5 ± 0.3 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for all reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.0698
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No