Information card for entry 7115839

Structure parameters

• Formula: C58 H116 Cr K N2 O8 Si2
• Calculated formula: C58 H116 Cr K N2 O8 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[O]1CC[O](C)[K]2341([O](C)CC[O]4C)([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 15.8187 ± 0.0007 Å
• b: 17.0756 ± 0.0008 Å
• c: 25.0015 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6753.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No