Information card for entry 4079682

Structure parameters

• Formula: C68 H82 Cr2
• Calculated formula: C68 H82 Cr2
• Title of publication: Structural and Magnetic Studies of a Quasi-Inverse Sandwich Cyclooctatetraene Complex with Two High-Spin Chromium(II) Ions Bound Anti-Facially
• Authors of publication: Boynton, Jessica N.; Summerscales, Owen T.; Grandjean, Fernande; Long, Gary J.; Fettinger, James C.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8556
• a: 17.0108 ± 0.0017 Å
• b: 19.7941 ± 0.0019 Å
• c: 16.8614 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5677.5 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No