Information card for entry 7206866

Structure parameters

• Formula: C144 H126 N18 O44 Zn8
• Calculated formula: C144 H126 N18 O44 Zn8
• Title of publication: An unprecedented twofold interpenetrated layered metal‒organic framework with a MoS2-H topology
• Authors of publication: Rajput, Lalit; Hong, Seunghee; Liu, Xinfang; Oh, Minhak; Kim, Dongwook; Lah, Myoung Soo
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6926
• a: 17.837 ± 0.005 Å
• b: 17.837 ± 0.005 Å
• c: 81.03 ± 0.05 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 22326 ± 16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.1257
• Weighted residual factors for significantly intense reflections: 0.2593
• Weighted residual factors for all reflections included in the refinement: 0.2772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No