Information card for entry 7112816

Structure parameters

• Formula: C8 H4 N2 O
• Calculated formula: C8 H4 N2 O
• Title of publication: High-spin supramolecular pair of Mn(II)/thiazyl radical complexes.
• Authors of publication: Fatila, Elisabeth M.; Goodreid, Jordan; Clérac, Rodolphe; Jennings, Michael; Assoud, Jalil; Preuss, Kathryn E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6569 - 6571
• a: 7.0278 ± 0.0003 Å
• b: 7.2916 ± 0.0004 Å
• c: 7.6914 ± 0.0004 Å
• α: 117.269 ± 0.004°
• β: 90.138 ± 0.004°
• γ: 106.131 ± 0.004°
• Cell volume: 332.64 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No