Information card for entry 7025391

Structure parameters

• Formula: C52 H136 Co6 N14 O69 Y4
• Calculated formula: C52 H106 Co6 N14 O69 Y4
• Title of publication: Novel mixed-valent CoII2CoIII4LnIII4 aggregates with ligands derived from tris-(hydroxymethyl)aminomethane (Tris)
• Authors of publication: Xiang, Hua; Lan, Yanhua; Li, Huan-Yong; Jiang, Long; Lu, Tong-Bu; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4737
• a: 12.7727 ± 0.0014 Å
• b: 13.6246 ± 0.0015 Å
• c: 16.6712 ± 0.0018 Å
• α: 72.353 ± 0.002°
• β: 70.913 ± 0.002°
• γ: 72.982 ± 0.002°
• Cell volume: 2551.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0805
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No