Information card for entry 4321243

Structure parameters

• Formula: C10 H12 Mn N2 O6
• Calculated formula: C10 H12 Mn N2 O6
• Title of publication: Solvothermal Construction of a Coordination Polymer around in Situ Generated Pyroglutamic Acid: Preparation, Crystal Structure, and Magnetic Behavior of [Mn(C5H6NO3)2]\ιnfty
• Authors of publication: Siegfried O. H. Gutschke; Daniel J. Price; Annie K. Powell; Paul T. Wood
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3705 - 3707
• a: 13.124 ± 0.003 Å
• b: 10.028 ± 0.002 Å
• c: 8.2366 ± 0.001 Å
• α: 90°
• β: 90.765 ± 0.015°
• γ: 90°
• Cell volume: 1083.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0397
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.0851
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.0807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No