Information card for entry 4344102

Structure parameters

• Formula: C93 H125 B Fe N7 O6 V
• Calculated formula: C92.94 H124.95 B Fe N7 O6 V
• Title of publication: Partial Nitrogen Atom Transfer: A New Synthetic Tool to Design Single-Molecule Magnets.
• Authors of publication: Ding, Mei; Rouzières, Mathieu; Losovyj, Yaroslav; Pink, Maren; Clérac, Rodolphe; Smith, Jeremy M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9075 - 9080
• a: 19.5861 ± 0.0009 Å
• b: 19.5861 ± 0.0009 Å
• c: 76.34 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 25362 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1907
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.2986
• Weighted residual factors for all reflections included in the refinement: 0.3681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No