Information card for entry 7131943

Structure parameters

• Formula: C20 H8 Co O6
• Calculated formula: C20 H8 Co O6
• Title of publication: Ideal trigonal prismatic coordination geometry of Co(II) in a honeycomb MOF with a triptycene-based ligand
• Authors of publication: Shuku, Yoshiaki; Suizu, Rie; Tsuchiizu, Masahisa; Awaga, Kunio
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 11.6718 ± 0.0002 Å
• b: 18.9425 ± 0.0003 Å
• c: 11.4351 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2528.22 ± 0.07 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No