Information card for entry 7242310

Structure parameters

• Formula: C12 H8 Mn N6 O5
• Calculated formula: C12 H8 Mn N6 O5
• Title of publication: Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties
• Authors of publication: Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 2396 - 2403
• a: 17.71 ± 0.001 Å
• b: 10.746 ± 0.0006 Å
• c: 14.6712 ± 0.0009 Å
• α: 90°
• β: 106.321 ± 0.006°
• γ: 90°
• Cell volume: 2679.6 ± 0.3 ų
• Cell temperature: 114.6 ± 0.4 K
• Ambient diffraction temperature: 114.6 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No