Information card for entry 4074300

Structure parameters

• Common name: 02125
• Formula: C20 H18 Cr
• Calculated formula: C20 H18 Cr
• SMILES: [c]12([cH]3[c]45cccc[c]46[cH]1[Cr]14782356[c]2([cH]1[c]17cccc[c]18[cH]42)C)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: 8.703 ± 0.003 Å
• b: 7.814 ± 0.002 Å
• c: 11.732 ± 0.004 Å
• α: 90°
• β: 99.357 ± 0.006°
• γ: 90°
• Cell volume: 787.2 ± 0.4 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: 0.0792
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No