Information card for entry 4333667

Structure parameters

• Formula: C30 H36 B3 Cr F12 N6 O6
• Calculated formula: C30 H36 B3 Cr F12 N6 O6
• Title of publication: Syntheses and Photophysical Investigations of Cr(III) Hexadentate Iminopyridine Complexes and Their Tris(Bidentate) Analogues
• Authors of publication: Ashley M. McDaniel; Huan-Wei Tseng; Ethan A. Hill; Niels H. Damrauer; Anthony K. Rappé; Matthew P. Shores
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1368 - 1378
• a: 13.3694 ± 0.0008 Å
• b: 16.6678 ± 0.0009 Å
• c: 20.3617 ± 0.0011 Å
• α: 90°
• β: 99.601 ± 0.004°
• γ: 90°
• Cell volume: 4473.8 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• 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: 0.0982
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No