Information card for entry 4339932

Structure parameters

• Formula: C37 H50 Cr N3 O
• Calculated formula: C37 H50 Cr N3 O
• SMILES: [Cr]12(N(c3c(cccc3C(C)C)C(C)C)C(=C)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)[O]1CCCC1
• Title of publication: Dinitrogen activation, partial reduction, and formation of coordinated imide promoted by a chromium diiminepyridine complex.
• Authors of publication: Vidyaratne, Indu; Scott, Jennifer; Gambarotta, Sandro; Budzelaar, Peter H. M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7040 - 7049
• a: 20.73 ± 0.004 Å
• b: 8.6418 ± 0.0016 Å
• c: 19.063 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3415 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0499
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No