Information card for entry 4342597

Structure parameters

• Formula: C46 H64 Al N4 V
• Calculated formula: C46 H64 Al N4 V
• SMILES: [V]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(N(c1ccc(cc1)C)c1ccc(cc1)C)=N[Al](C)(C)C
• Title of publication: Addition of Si‒H and B‒H Bonds and Redox Reactivity Involving Low-Coordinate Nitrido‒Vanadium Complexes
• Authors of publication: Thompson, Rick; Tran, Ba L.; Ghosh, Soumya; Chen, Chun-Hsing; Pink, Maren; Gao, Xinfeng; Carroll, Patrick J.; Baik, Mu-Hyun; Mindiola, Daniel J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2015
• Pages of publication: 150302094058008
• a: 13.089 ± 0.0006 Å
• b: 17.6638 ± 0.0007 Å
• c: 19.2166 ± 0.0008 Å
• α: 90°
• β: 100.346 ± 0.001°
• γ: 90°
• Cell volume: 4370.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No