Information card for entry 7720869

Structure parameters

• Formula: C32 H64 Br2 N O8 Ru2
• Calculated formula: C32 H64.0016 Br2 N O8 Ru2
• Title of publication: The Electron and Spin Distributions and Magnetic Anisotropy in Mixed-Valent Diruthenium(V) Tetracarboxylates from Crystallography and Theory
• Authors of publication: Grenda, Sabrina; Yairi, Haruki; Fujimoto, Torao; Fabelo, Oscar; Kibalin, Iurii; Claiser, Nicolas; Maurice, Rémi; Gukasov, Arsen; Canadillas-Delgado, Laura; Rodriguez-Velamazan, J Alberto; Jacquot, Jean-François; Mitsuhashi, Ryoji; Mikuriya, Masahiro; Handa, Makoto; Luneau, Dominique
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 12.1649 ± 0.0018 Å
• b: 12.5424 ± 0.0019 Å
• c: 14.114 ± 0.002 Å
• α: 98.537 ± 0.016°
• β: 95.07 ± 0.014°
• γ: 109.36 ± 0.01°
• Cell volume: 1987.2 ± 0.5 ų
• Cell temperature: 2 K
• Ambient diffraction temperature: 2 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: 0.1174
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for significantly intense reflections: 3.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 3.0625
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 0.95 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No