Information card for entry 4321233

Structure parameters

• Common name: Compound 16
• Formula: C19 H34 N O2 S2 Si V
• Calculated formula: C19 H34 N O2 S2 Si V
• SMILES: [V]12(SCC[O]2CCS1)(Oc1c(cccc1C(C)C)C(C)C)=N[Si](C)(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: 9.646 ± 0.002 Å
• b: 10.103 ± 0.002 Å
• c: 15.001 ± 0.003 Å
• α: 91.06 ± 0.03°
• β: 102.12 ± 0.03°
• γ: 118.16 ± 0.03°
• Cell volume: 1248.4 ± 0.6 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections: 0.1719
• Weighted residual factors for significantly intense reflections: 0.1653
• Goodness-of-fit parameter for all reflections: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No