Information card for entry 1551988

Structure parameters

• Formula: C58 H74 Cl2 Cr2 N4 O2
• Calculated formula: C58 H74 Cl2 Cr2 N4 O2
• SMILES: c12cccc(c3c(cccc3C)C)[n]1[Cr]1(N2c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)[Cl][Cr]2([n]3c(cccc3c3c(cccc3C)C)N2c2c(cccc2C(C)C)C(C)C)([O]2CCCC2)[Cl]1
• Title of publication: Carboalumination of a chromium-chromium quintuple bond
• Authors of publication: Awal Noor; Germund Glatz; Robert Muller; Martin Kaupp; Serhiy Demeshko; Rhett Kempe
• Journal of publication: Nature Chemistry
• Year of publication: 2009
• Journal volume: 1
• Pages of publication: 322 - 325
• a: 14.503 ± 0.0011 Å
• b: 8.43 ± 0.0006 Å
• c: 22.025 ± 0.0013 Å
• α: 90°
• β: 96.049 ± 0.006°
• γ: 90°
• Cell volume: 2677.8 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No