Information card for entry 4512452

Structure parameters

• Formula: C132.5 H90 Co3 N18 O
• Calculated formula: C132.5 H90 Co3 N18 O
• Title of publication: Thermally Robust 3-D Co-DpyDtolP-MOF with Hexagonally Oriented Micropores: Formation of Polyiodine Chains in a MOF Single Crystal
• Authors of publication: Chae, Seung Hyun; Kim, Hyun-Chul; Lee, Young Sun; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee; Lee, Suk Joong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Pages of publication: 141201145535002
• a: 32.721 ± 0.005 Å
• b: 32.721 ± 0.005 Å
• c: 9.316 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8638 ± 3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No