Information card for entry 2006257

Structure parameters

• Formula: C15 H30 N3 S6 V
• Calculated formula: C15 H30 N3 S6 V
• SMILES: [V]123(SC(=[S]1)N(CC)CC)(SC(=[S]2)N(CC)CC)SC(=[S]3)N(CC)CC
• Title of publication: Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')vanadium(III)
• Authors of publication: Zhu, Hong-Ping; Deng, Yu-Heng; Huang, Xiao-Ying; Chen, Chang-Neng; Liu, Qiu-Tian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 692 - 693
• a: 13.731 ± 0.001 Å
• b: 10.294 ± 0.001 Å
• c: 17.23 ± 0.001 Å
• α: 90°
• β: 103.06 ± 0.01°
• γ: 90°
• Cell volume: 2372.4 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0456
• Goodness-of-fit parameter for significantly intense reflections: 1.27
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No