Information card for entry 4065213

Structure parameters

• Formula: C20 H40 Cr N4
• Calculated formula: C20 H40 Cr N4
• SMILES: [Cr]12([N](=CC=[N]1C(C)(C)C)C(C)(C)C)[N](=CC=[N]2C(C)(C)C)C(C)(C)C
• Title of publication: Volatility and High Thermal Stability in Mid- to Late-First-Row Transition-Metal Diazadienyl Complexes
• Authors of publication: Knisley, Thomas J.; Saly, Mark J.; Heeg, Mary Jane; Roberts, John L.; Winter, Charles H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 18
• Pages of publication: 5010
• a: 11.1969 ± 0.001 Å
• b: 14.0988 ± 0.0013 Å
• c: 14.4001 ± 0.0014 Å
• α: 86.857 ± 0.002°
• β: 82.672 ± 0.003°
• γ: 88.077 ± 0.003°
• Cell volume: 2250.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No