Information card for entry 7027517

Structure parameters

• Formula: C27 H29 N4 S6 V
• Calculated formula: C27 H29 N4 S6 V
• SMILES: [V]123([S]=C(S3)n3cccc3)([S]=C(S2)n2cccc2)(SC(=[S]1)n1cccc1)=Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and characterization of d0 imido complexes of vanadium. Crystal structure of [V(2,6-iPr2C6H3N)(S2CNC4H4)3]
• Authors of publication: Montilla, Francisco; Pastor, Antonio; Monge, Angeles; Gutiérrez-Puebla, Enrique; Galindo, Agustín
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 2893
• a: 25.913 ± 0.003 Å
• b: 10.0434 ± 0.0012 Å
• c: 27.989 ± 0.003 Å
• α: 90°
• β: 106.69 ± 0.002°
• γ: 90°
• Cell volume: 6977.4 ± 1.4 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1396
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections: 0.2374
• Weighted residual factors for significantly intense reflections: 0.2087
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No