Information card for entry 7108540

Structure parameters

• Common name: 2-amino-3-bromo-6,7-dimethylnapthalene-1,4-dione
• Chemical name: 2-amino-3-bromo-6,7-dimethylnapthalene-1,4-dione
• Formula: C12 H11 Br N O2.5
• Calculated formula: C12 H11 Br N O2.5
• Title of publication: Trinuclear Mn(II) complex with paramagnetic bridging 1,2,3-dithiazolyl ligands
• Authors of publication: David S. Sullivan; Rodolphe Clerac; Michael Jennings; Alan J. Lough; Kathryn E. Preuss
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 10963
• a: 7.7207 ± 0.00007 Å
• b: 13.73969 ± 0.00016 Å
• c: 21.14 ± 0.0002 Å
• α: 90°
• β: 94.088 ± 0.001°
• γ: 90°
• Cell volume: 2236.83 ± 0.04 ų
• Cell temperature: 149.9 K
• Ambient diffraction temperature: 149.9 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No