Information card for entry 4339935

Structure parameters

• Formula: C37 H52 Cr N4 Na O
• Calculated formula: C37 H52 Cr N4 Na O
• SMILES: [Cr]12(=N)[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.[Na+].O1CCCC1
• 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: 12.024 ± 0.003 Å
• b: 16.623 ± 0.005 Å
• c: 18.556 ± 0.005 Å
• α: 90°
• β: 99.425 ± 0.005°
• γ: 90°
• Cell volume: 3658.8 ± 1.7 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No