Information card for entry 2223858

Structure parameters

• Chemical name: Diacetonitrile[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)ethane-1,2-\ diimine]dichloridochromium(II) acetonitrile solvate
• Formula: C32 H45 Cl2 Cr N5
• Calculated formula: C32 H45 Cl2 Cr N5
• SMILES: N#CC.C1C=[N](c2c(cccc2C(C)C)C(C)C)[Cr](Cl)(Cl)([N]=1c1c(cccc1C(C)C)C(C)C)([N]#CC)[N]#CC
• Title of publication: Diacetonitrile[<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)ethane-1,2-diimine]dichloridochromium(II) acetonitrile solvate
• Authors of publication: Peitz, Stephan; Peulecke, Normen; Müller, Bernd H.; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1336
• a: 18.7305 ± 0.0006 Å
• b: 13.2462 ± 0.0005 Å
• c: 13.9582 ± 0.0004 Å
• α: 90°
• β: 97.838 ± 0.002°
• γ: 90°
• Cell volume: 3430.8 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes