Information card for entry 7025392

Structure parameters

• Formula: C50 H124 Co6 Gd4 N14 O65
• Calculated formula: C50 H95 Co6 Gd4 N14 O65
• 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: 12.8831 ± 0.0006 Å
• b: 13.6555 ± 0.0005 Å
• c: 16.0874 ± 0.0006 Å
• α: 72.486 ± 0.003°
• β: 71.881 ± 0.004°
• γ: 73.986 ± 0.004°
• Cell volume: 2512.73 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1166
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No