Information card for entry 4341203

Structure parameters

• Formula: C29 H57 N5 Si3 V
• Calculated formula: C29 H57 N5 Si3 V
• SMILES: [V]123(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C)C#[N]C12CC3CC(C1)CC(C2)C3.c1ccccc1
• Title of publication: Role of Axial Base Coordination in Isonitrile Binding and Chalcogen Atom Transfer to Vanadium(III) Complexes.
• Authors of publication: Majumdar, Subhojit; Stauber, Julia M.; Palluccio, Taryn D.; Cai, Xiaochen; Velian, Alexandra; Rybak-Akimova, Elena V; Temprado, Manuel; Captain, Burjor; Cummins, Christopher C.; Hoff, Carl D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141003140335004
• a: 11.7724 ± 0.0006 Å
• b: 14.6694 ± 0.0008 Å
• c: 40.006 ± 0.002 Å
• α: 90°
• β: 91.01 ± 0.001°
• γ: 90°
• Cell volume: 6907.7 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1147
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2735
• Weighted residual factors for all reflections included in the refinement: 0.2847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No