Information card for entry 4125406

Structure parameters

• Formula: C112 H140 Cr N6 O
• Calculated formula: C112 H140 Cr N6 O
• Title of publication: A Tris(diisocyanide)chromium(0) Complex Is a Luminescent Analog of Fe(2,2'-Bipyridine)3(2).
• Authors of publication: Büldt, Laura A; Guo, Xingwei; Vogel, Raphael; Prescimone, Alessandro; Wenger, Oliver S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 2
• Pages of publication: 985 - 992
• a: 20.1406 ± 0.0012 Å
• b: 23.222 ± 0.0012 Å
• c: 23.1156 ± 0.0014 Å
• α: 90°
• β: 108.643 ± 0.004°
• γ: 90°
• Cell volume: 10244 ± 1 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.2181
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections: 0.3329
• Weighted residual factors for significantly intense reflections: 0.211
• Weighted residual factors for all reflections included in the refinement: 0.3327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0288
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No