Information card for entry 4343285

Structure parameters

• Formula: C28 H36 N4 O2 S4 V
• Calculated formula: C28 H36 N4 O2 S4 V
• SMILES: [V]1234(SC(SC)=N[N]3=Cc3c(c(cc(c3)C)C(C)(C)C)O2)SC(=N[N]4=Cc2c(c(cc(c2)C)C(C)(C)C)O1)SC
• Title of publication: Nonoxido Vanadium(IV) Compounds Involving Dithiocarbazate-Based Tridentate ONS Ligands: Synthesis, Electronic and Molecular Structure, Spectroscopic and Redox Properties.
• Authors of publication: Kundu, Sanchita; Mondal, Dhrubajyoti; Bhattacharya, Kisholoy; Endo, Akira; Sanna, Daniele; Garribba, Eugenio; Chaudhury, Muktimoy
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 6203 - 6215
• a: 10.0076 ± 0.0017 Å
• b: 13.069 ± 0.002 Å
• c: 13.828 ± 0.002 Å
• α: 66.593 ± 0.003°
• β: 81.005 ± 0.003°
• γ: 69.513 ± 0.003°
• Cell volume: 1554.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No