Information card for entry 4102374

Structure parameters

• Formula: C41.5 H58 Co N2 O4
• Calculated formula: C38 H50 Co N2 O4
• SMILES: c12cc(cc(c1O[Co]1([n]3ccccc3)(O2)([n]2ccccc2)Oc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)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: 10.463 ± 0.002 Å
• b: 9.266 ± 0.002 Å
• c: 22.165 ± 0.005 Å
• α: 90°
• β: 94.838 ± 0.004°
• γ: 90°
• Cell volume: 2141.2 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• 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: 0.0655
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No