Information card for entry 4071923

Structure parameters

• Common name: 00342
• Formula: C28 H34 Cr
• Calculated formula: C28 H34 Cr
• SMILES: [c]123[c]4([cH]5[c]6([cH]1[Cr]17893456[c]34c(c(c(c([c]94[cH]8[c]7([cH]13)C)C)C)C)C)C)c(c(c(c2C)C)C)C
• Title of publication: Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution
• Authors of publication: Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5464
• a: 11.101 ± 0.002 Å
• b: 13.664 ± 0.002 Å
• c: 14.302 ± 0.002 Å
• α: 90°
• β: 93.237 ± 0.002°
• γ: 90°
• Cell volume: 2165.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No