Information card for entry 4074303

Structure parameters

• Common name: 03012a
• Formula: C20 H18 Cr
• Calculated formula: C20 H18 Cr
• SMILES: [Cr]12345678([c]9([cH]1[cH]2[c]13cccc[c]491)C)[c]1([cH]5[cH]6[c]27cccc[c]812)C
• Title of publication: High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes
• Authors of publication: Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 4945
• a: 12.438 ± 0.004 Å
• b: 9.792 ± 0.003 Å
• c: 12.739 ± 0.004 Å
• α: 90°
• β: 96.179 ± 0.005°
• γ: 90°
• Cell volume: 1542.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No