Information card for entry 2104968

Structure parameters

• Formula: C84 H106 B2 Co2 N4 O10
• Calculated formula: C84 H106 B2 Co2 N4 O10
• SMILES: c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.Cc1cc2C[N]3(C)CC[OH][Co]4563[O]3c2c(c1)C[N]1([Co]273([O]5c3c(C[N]7(C)CC[OH]2)cc(cc3C[N]6(C)CC[OH]4)C)[OH]CC1)C.CC(=O)C.CC(=O)C.O.O
• Title of publication: <i>d</i>-Orbital orientation in a dimer cobalt complex: link to magnetic properties?
• Authors of publication: Deutsch, Maxime; Claiser, Nicolas; Gillet, Jean-Michel; Lecomte, Claude; Sakiyama, Hiroshi; Tone, Katsuya; Souhassou, Mohamed
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: 324 - 332
• a: 22.8118 ± 0.0008 Å
• b: 19.2667 ± 0.0007 Å
• c: 17.3077 ± 0.0006 Å
• α: 90°
• β: 96.176 ± 0.003°
• γ: 90°
• Cell volume: 7562.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 significantly intense reflections: 0.0246
• Weighted residual factors for all reflections included in the refinement: 0.0346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.73
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No