Information card for entry 4321234

Structure parameters

• Common name: Compound 18
• Formula: C9 H23 N2 O2 S2 Si V
• Calculated formula: C9 H23 N2 O2 S2 Si V
• SMILES: [V]12(SCC[O]2CCS1)(O[Si](C)(C)C)=NN(C)C
• 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: 15.223 ± 0.005 Å
• b: 12.207 ± 0.004 Å
• c: 9.091 ± 0.004 Å
• α: 90°
• β: 93.53 ± 0.04°
• γ: 90°
• Cell volume: 1686.1 ± 1.1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.0832
• Goodness-of-fit parameter for all reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No