Information card for entry 4071920

Structure parameters

• Common name: 03296a
• Formula: C24 H26 Cr
• Calculated formula: C24 H26 Cr
• SMILES: [c]12([c]3([c]4([c]56cccc[c]15[Cr]15782346[c]2([c]1([c]5([c]17[c]82cccc1)C)C)C)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: 7.372 ± 0.004 Å
• b: 8.565 ± 0.005 Å
• c: 8.586 ± 0.005 Å
• α: 69.977 ± 0.008°
• β: 74.027 ± 0.008°
• γ: 73.589 ± 0.009°
• Cell volume: 478.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No