Information card for entry 7110942

Structure parameters

• Formula: C22 H30 Cr N2
• Calculated formula: C22 H30 Cr N2
• SMILES: [Cr]1(=NC(C)(C)CCC(N=1)(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Polymerisation of acrylonitrile with di(organoimido)chromium(vi) complexes
• Authors of publication: Siemeling, Ulrich; Kölling, Lars; Stammler, Anja; Stammler, Hans-Georg; Kaminski, Eric; Fink, Gerhard
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 1177
• a: 8.471 ± 0.004 Å
• b: 16.716 ± 0.01 Å
• c: 14.781 ± 0.006 Å
• α: 90°
• β: 100.21 ± 0.03°
• γ: 90°
• Cell volume: 2059.9 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1084
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No