Information card for entry 7201814

Structure parameters

• Formula: C14 H13 Mn N2 O5
• Calculated formula: C14 H13 Mn N2 O5
• Title of publication: Versatile frameworks constructed from divalent metals and 1,2,3,4-butanetetracarboxylate anion: syntheses, crystal structures, luminescence and magnetic properties
• Authors of publication: Liu, Ying-Ying; Ma, Jian-Fang; Yang, Jin; Ma, Ji-Cheng; Su, Zhong-Min
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 894
• a: 7.702 ± 0.001 Å
• b: 9.705 ± 0.002 Å
• c: 10.387 ± 0.005 Å
• α: 79.397 ± 0.003°
• β: 72.326 ± 0.006°
• γ: 68.933 ± 0.005°
• Cell volume: 687.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No