Information card for entry 7246804

Structure parameters

• Formula: C18 H12 Co N2 O4
• Calculated formula: C18.002 H12.002 Co N2 O4
• Title of publication: Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation
• Authors of publication: Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 3356 - 3360
• a: 20.57 ± 0.002 Å
• b: 10.2665 ± 0.0012 Å
• c: 16.5997 ± 0.0018 Å
• α: 90°
• β: 105.387 ± 0.004°
• γ: 90°
• Cell volume: 3379.9 ± 0.6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No