Information card for entry 4072264

Structure parameters

• Formula: C29 H37 Cl2 P2 Si V
• Calculated formula: C29 H37 Cl2 P2 Si V
• SMILES: [V]12345([cH]6[cH]3[cH]5[cH]2[cH]46)([Si](c2ccccc2)(Cl)c2ccccc2)([P](C)(CC[P]1(C)C)C)Cl.c1ccccc1
• 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: 17.424 ± 0.0013 Å
• b: 9.493 ± 0.0007 Å
• c: 17.8481 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2952.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.632
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No