Information card for entry 4072265

Structure parameters

• Formula: C13 H21 O2 P2 V
• Calculated formula: C13 H21 O2 P2 V
• SMILES: C(#[O])[V]12345([cH]6[cH]1[cH]2[cH]4[cH]36)([P](C)(C)CC[P]5(C)C)C#[O]
• Title of publication: Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity
• Authors of publication: Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5717
• a: 7.024 ± 0.002 Å
• b: 13.185 ± 0.004 Å
• c: 8.438 ± 0.002 Å
• α: 90°
• β: 101.602 ± 0.004°
• γ: 90°
• Cell volume: 765.5 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No