Information card for entry 7117924

Structure parameters

• Formula: C28 H46 B Cr N6
• Calculated formula: C28 H46 B Cr N6
• SMILES: [Cr]123([n]4n([BH](n5[n]1c(cc5C)C(C)(C)C)n1[n]2c(cc1C)C(C)(C)C)c(cc4C(C)(C)C)C)[C](#[C]3C)C
• Title of publication: Mechanism-based design of labile precursors for chromium(I) chemistry
• Authors of publication: Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 15402
• a: 9.852 ± 0.005 Å
• b: 19.085 ± 0.009 Å
• c: 15.557 ± 0.007 Å
• α: 90°
• β: 90.209 ± 0.008°
• γ: 90°
• Cell volume: 2925 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1192
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No