Information card for entry 4125617

Structure parameters

• Formula: C24 H16 Co N10 Se2
• Calculated formula: C24 H16 Co N10 Se2
• SMILES: c12ccccn1n[n]1[Co]3([n]4ccccc4c21)([n]1ccccc1c1c2ccccn2n[n]31)(N=C=[Se])N=C=[Se]
• Title of publication: Metal-Controlled Magnetoresistance at Room Temperature in Single-Molecule Devices.
• Authors of publication: Aragones, Albert C.; Aravena, Daniel; Valverde-Muñoz, Francisco J; Real, Jose Antonio; Sanz, Fausto; Díez-Pérez, Ismael; Ruiz, Eliseo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 8.0891 ± 0.0005 Å
• b: 8.6468 ± 0.0008 Å
• c: 9.3489 ± 0.0006 Å
• α: 81.292 ± 0.007°
• β: 72.583 ± 0.006°
• γ: 76.509 ± 0.007°
• Cell volume: 604.36 ± 0.08 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0578
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No