Information card for entry 4104796

Structure parameters

• Formula: C22 H20 Mn N4 O4
• Calculated formula: C22 H20 Mn N4 O4
• Title of publication: A Porous Coordination Polymer Exhibiting Reversible Single-Crystal to Single-Crystal Substitution Reactions at Mn(II) Centers by Nitrile Guest Molecules
• Authors of publication: Madhab C. Das; Parimal K. Bharadwaj
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 10942 - 10949
• a: 18.826 ± 0.007 Å
• b: 14.89 ± 0.002 Å
• c: 16.288 ± 0.004 Å
• α: 90°
• β: 112.937 ± 0.006°
• γ: 90°
• Cell volume: 4205 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.1072
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1849
• Weighted residual factors for all reflections included in the refinement: 0.2352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No