Information card for entry 7242311

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: 8.7592 ± 0.0007 Å
• b: 9.3448 ± 0.0006 Å
• c: 9.8941 ± 0.0007 Å
• α: 110.237 ± 0.006°
• β: 110.252 ± 0.007°
• γ: 103.825 ± 0.006°
• Cell volume: 651.02 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0355
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No