Information card for entry 4346356

Structure parameters

• Formula: C40 H42 B3 Cr F12 N8 O6
• Calculated formula: C38 H39 B3 Cr F12 N7 O6
• Title of publication: Evaluation of Tris-Bipyridine Chromium Complexes for Flow Battery Applications: Impact of Bipyridine Ligand Structure on Solubility and Electrochemistry.
• Authors of publication: Cabrera, Pablo J.; Yang, Xingyi; Suttil, James A.; Brooner, Rachel E. M.; Thompson, Levi T.; Sanford, Melanie S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 10214 - 10223
• a: 9.6934 ± 0.0007 Å
• b: 13.4504 ± 0.001 Å
• c: 18.2111 ± 0.0014 Å
• α: 80.846 ± 0.001°
• β: 77.999 ± 0.001°
• γ: 78.6 ± 0.001°
• Cell volume: 2259.3 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2321
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No