Information card for entry 4317935

Structure parameters

• Chemical name: 2,6-bis(2'-mercaptophenylthio)dimethylpyridine-vanadiumbromid(III)
• Formula: C23 H23 Br N O S4 V
• Calculated formula: C23 H23 Br N O S4 V
• SMILES: Br[V]1234Sc5ccccc5[S]1Cc1[n]4c(ccc1)C[S]2c1ccccc1S3.C1CCCO1
• Title of publication: Thiofunctional Vanadium Complexes
• Authors of publication: Henning Nekola; Dongren Wang; Cerstin Grüning; Jessica Gätjens; Axel Behrens; Dieter Rehder
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2379 - 2384
• a: 10.5001 ± 0.0004 Å
• b: 13.9969 ± 0.0005 Å
• c: 16.4615 ± 0.0005 Å
• α: 90°
• β: 96.833 ± 0.001°
• γ: 90°
• Cell volume: 2402.14 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No