Information card for entry 7115842

Structure parameters

• Formula: C58 H112 Cr N3 Si2
• Calculated formula: C58 H112 Cr N3 Si2
• SMILES: c1(c(cccc1C(C)C)C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)[Cr]N(c1c(cccc1C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states
• Authors of publication: Irene C. Cai; Michael I. Lipschutz; T. Don Tilley
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13062
• a: 14.7215 ± 0.0004 Å
• b: 28.4194 ± 0.0008 Å
• c: 14.8687 ± 0.0004 Å
• α: 90°
• β: 90.949 ± 0.002°
• γ: 90°
• Cell volume: 6219.9 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No