Information card for entry 4133274

Structure parameters

• Formula: C52 H64 Co N4 O5
• Calculated formula: C52 H64 Co N4 O5
• SMILES: c1ccc2C(=O)C(=N\C=C3/C4C[C@H]5CC(C[C@@H](C4)C5)N3C)/c3ccc[n]4c3c2[n]1[Co]124(Oc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)Oc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2.c1ccc2C(=O)C(=N\C=C3/C4C[C@@H]5CC(C[C@H](C4)C5)N3C)/c3ccc[n]4c3c2[n]1[Co]124(Oc3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)Oc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O2
• Title of publication: Opto-Spintronics: Photoisomerization-Induced Spin State Switching at 300 K in Photochrome Cobalt-Dioxolene Thin Films.
• Authors of publication: Paquette, Michelle M.; Plaul, Daniel; Kurimoto, Aiko; Patrick, Brian O.; Frank, Natia L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 44
• Pages of publication: 14990 - 15000
• a: 10.5827 ± 0.0007 Å
• b: 13.954 ± 0.001 Å
• c: 17.8701 ± 0.001 Å
• α: 104.664 ± 0.005°
• β: 105.533 ± 0.005°
• γ: 104.296 ± 0.006°
• Cell volume: 2315.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1732
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No