Information card for entry 4135515

Structure parameters

• Formula: C79 H88 B4 Co2 F12 N24 P2
• Calculated formula: C79 H88 B4 Co2 F12.008 N24 P2
• Title of publication: Microsecond Photoluminescence and Photoreactivity of a Metal-Centered Excited State in a Hexacarbene-Co(III) Complex.
• Authors of publication: Kaufhold, Simon; Rosemann, Nils W.; Chábera, Pavel; Lindh, Linnea; Bolaño Losada, Iria; Uhlig, Jens; Pascher, Torbjörn; Strand, Daniel; Wärnmark, Kenneth; Yartsev, Arkady; Persson, Petter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 3
• Pages of publication: 1307 - 1312
• a: 9.8868 ± 0.0003 Å
• b: 11.3094 ± 0.0005 Å
• c: 19.5352 ± 0.0007 Å
• α: 91.166 ± 0.003°
• β: 94.315 ± 0.003°
• γ: 90.523 ± 0.003°
• Cell volume: 2177.54 ± 0.14 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No