Information card for entry 7120398

Structure parameters

• Formula: C34 H63 Cl7 N16 Ni4 O8.5
• Calculated formula: C34 H63 Cl7 N16 Ni4 O8.5
• Title of publication: Strong ferromagnetic exchange coupling in a {NiII4} cluster mediated through an air-stable tetrazine-based radical anion
• Authors of publication: Lemes, Maykon; Brunet, Gabriel; Pialat, Amelie; Ungur, Liviu; Korobkov, Ilia; Murugesu, Muralee
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.7191 ± 0.0004 Å
• b: 23.4564 ± 0.0007 Å
• c: 21.6135 ± 0.0007 Å
• α: 90°
• β: 91.4944 ± 0.0014°
• γ: 90°
• Cell volume: 5939.3 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No