Information card for entry 4115012

Structure parameters

• Common name: 00021a
• Formula: C26 H30 Cr
• Calculated formula: C26 H30 Cr
• SMILES: [c]12([cH]3[cH]([c]45[c]16cccc4)[Cr]14782356[c]2([cH]1[cH]4[c]17[c]28cccc1)C(C)(C)C)C(C)(C)C
• Title of publication: Spin-State Alteration from Sterically Enforced Ligand Rotation in Bis(indenyl)chromium(II) Complexes1
• Authors of publication: Erik D. Brady; Jason S. Overby; M. Brett Meredith; Adam B. Mussman; Michael A. Cohn; Timothy P. Hanusa; Gordon T. Yee; Maren Pink
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9556 - 9566
• a: 9.7902 ± 0.0011 Å
• b: 10.9413 ± 0.0013 Å
• c: 10.6855 ± 0.0012 Å
• α: 90°
• β: 113.714 ± 0.002°
• γ: 90°
• Cell volume: 1048 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.0833
• Goodness-of-fit parameter for all reflections: 0.985
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No