Information card for entry 7214531

Structure parameters

• Formula: C26.5 H27.75 Co N2 O7.38
• Calculated formula: C26.5 H16 Co N2 O7.38
• Title of publication: Methanol mediated crystal transformations in a solvatochromic metal organic framework constructed from Co(ii) and 4-(4-pyridyl) benzoate
• Authors of publication: Mehlana, Gift; Ramon, Gaëlle; Bourne, Susan A.
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9521
• a: 22.6591 ± 0.0011 Å
• b: 22.6591 ± 0.0011 Å
• c: 12.7035 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6522.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 90
• Hermann-Mauguin space group symbol: P 4 21 2
• Hall space group symbol: P 4ab 2ab
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No