Information card for entry 4317936

Structure parameters

• Formula: C18 H21 Cl N O S2 V
• Calculated formula: C18 H21 Cl N O S2 V
• 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: 13.5994 ± 0.0004 Å
• b: 9.6053 ± 0.0003 Å
• c: 16.3449 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2135.07 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2382
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No