Information card for entry 7212351

Structure parameters

• Formula: C2.5 H1.5 Mn0.75 N2 O2
• Calculated formula: C2.5 H1.5 Mn0.75 N2 O2
• Title of publication: Synthesis, structure and hydrogen adsorption of a novel porous metal‒organic framework, Mn9(btt)2(HCOO)12·0.7DMF·0.9H2O, where btt = 1,3,5-benzenetristetrazolate
• Authors of publication: Liao, Ju-Hsiou; Chen, Wan-Ting; Tsai, Cherng-Shiaw; Yang, Ching-Chun; Wang, Chih-Chieh
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3033
• a: 11.741 ± 0.0006 Å
• b: 11.741 ± 0.0006 Å
• c: 13.3199 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1590.16 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No