Information card for entry 7006719

Structure parameters

• Formula: C55 H48 Mn2 N2 O6
• Calculated formula: C55 H48 Mn2 N2 O6
• Title of publication: New manganese-scaffolded organic triple-deckers based on quinoxaline, pyrazine and pyrimidine cores.
• Authors of publication: Djukic, Jean-Pierre; Michon, Christophe; Ratkovic, Zoran; Kyritsakas-Gruber, Nathalie; de Cian, André; Pfeffer, Michel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 12
• Pages of publication: 1564 - 1573
• a: 10.4636 ± 0.0001 Å
• b: 28.2835 ± 0.0003 Å
• c: 15.5722 ± 0.0002 Å
• α: 90°
• β: 100.253 ± 0.005°
• γ: 90°
• Cell volume: 4534.96 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.243
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections: 1.364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No