Information card for entry 7101807

Structure parameters

• Formula: C28 H52 B Cr N10 O3
• Calculated formula: C28 H37 B Cr N10 O2.9
• Title of publication: Linkage isomerism in a face-centered cubic Cu6Cr8(CN)24 cluster with an S=15 ground state.
• Authors of publication: Harris, T David; Long, Jeffrey R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 13
• Pages of publication: 1360 - 1362
• a: 11.193 ± 0.002 Å
• b: 11.258 ± 0.002 Å
• c: 16.324 ± 0.003 Å
• α: 76.275 ± 0.003°
• β: 87.493 ± 0.003°
• γ: 60.506 ± 0.003°
• Cell volume: 1732.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0887
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No