Information card for entry 7006720

Structure parameters

• Formula: C45 H40 Cl2 Mn2 N2 O6
• Calculated formula: C45 H40 Cl2 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: 18.8855 ± 0.0003 Å
• b: 13.7903 ± 0.0004 Å
• c: 15.9732 ± 0.0005 Å
• α: 90°
• β: 101.257 ± 0.005°
• γ: 90°
• Cell volume: 4080 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for all reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections: 1.898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.59
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No