Information card for entry 4102373

Structure parameters

• Formula: C40 H54 Co N2 O6
• Calculated formula: C40 H54 Co N2 O6
• SMILES: [n]1(ccc(OC)cc1)[Co]12([n]3ccc(OC)cc3)(Oc3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)Oc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C
• Title of publication: Goldilocks Effect in Magnetic Bistability: Remote Substituent Modulation and Lattice Control of Photoinduced Valence Tautomerism and Light-Induced Thermal Hysteresis
• Authors of publication: R. D. Schmidt; D. A. Shultz; J. D. Martin; P. D. Boyle
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6261 - 6273
• a: 11.6823 ± 0.0016 Å
• b: 21.061 ± 0.003 Å
• c: 7.4348 ± 0.0011 Å
• α: 90°
• β: 93.54 ± 0.003°
• γ: 90°
• Cell volume: 1825.8 ± 0.5 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No