Information card for entry 7223972

Structure parameters

• Formula: C18 H38 Mn3 N8 O24
• Calculated formula: C18 H30 Mn3 N8 O24
• Title of publication: Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties
• Authors of publication: Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 9
• Pages of publication: 1523
• a: 7.3088 ± 0.0008 Å
• b: 10.1375 ± 0.001 Å
• c: 12.0815 ± 0.0014 Å
• α: 78.884 ± 0.004°
• β: 77.512 ± 0.003°
• γ: 78.615 ± 0.004°
• Cell volume: 846.18 ± 0.16 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: 0.0753
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1956
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No