Information card for entry 4102370

Structure parameters

• Formula: C38 H48 Br2 Co N2 O4
• Calculated formula: C38 H48 Br2 Co N2 O4
• SMILES: [Co]12([n]3ccc(Br)cc3)([n]3ccc(Br)cc3)(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: 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: 6.6135 ± 0.0002 Å
• b: 9.6729 ± 0.0003 Å
• c: 14.923 ± 0.0005 Å
• α: 85.1702 ± 0.0017°
• β: 82.1886 ± 0.0018°
• γ: 81.5996 ± 0.0017°
• Cell volume: 933.63 ± 0.05 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1283
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No