Information card for entry 4115014

Structure parameters

• Common name: 00390
• Formula: C34 H46 Cr
• Calculated formula: C34 H46 Cr
• SMILES: [Cr]12345678([c]9%10[c]4([c]3([cH]2[c]19C(C)(C)C)C(C)(C)C)cccc%10)[c]12[c]8([c]7([cH]6[c]51C(C)(C)C)C(C)(C)C)cccc2
• 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: 18.26 ± 0.007 Å
• b: 9.694 ± 0.004 Å
• c: 17.921 ± 0.007 Å
• α: 90°
• β: 115.893 ± 0.006°
• γ: 90°
• Cell volume: 2854 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No