Information card for entry 1508061

Structure parameters

• Formula: C21 H20 Cl Mn2 N4 O8
• Calculated formula: C20 H6 Cl2 Mn2 N4 O8
• Title of publication: Photoreactivity examined through incorporation in metal-organic frameworks.
• Authors of publication: Blake, Alexander J.; Champness, Neil R.; Easun, Timothy L.; Allan, David R.; Nowell, Harriott; George, Michael W.; Jia, Junhua; Sun, Xue-Zhong
• Journal of publication: Nature chemistry
• Year of publication: 2010
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 688 - 694
• a: 9.062 ± 0.0018 Å
• b: 25.6 ± 0.005 Å
• c: 9.618 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2231.3 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.227
• Residual factor for significantly intense reflections: 0.209
• Weighted residual factors for significantly intense reflections: 0.485
• Weighted residual factors for all reflections included in the refinement: 0.505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.96
• Diffraction radiation wavelength: 0.72 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No