Information card for entry 4074302

Structure parameters

• Common name: 01308
• Formula: C20 H18 Cr
• Calculated formula: C20 H18 Cr
• SMILES: [Cr]12345678([c]9([cH]1[cH]2[c]13[c]49cccc1)C)[c]1([cH]5[cH]6[c]27[c]81cccc2)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: 12.3215 ± 0.0012 Å
• b: 9.7409 ± 0.0009 Å
• c: 12.5025 ± 0.0012 Å
• α: 90°
• β: 97.049 ± 0.002°
• γ: 90°
• Cell volume: 1489.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No