Information card for entry 7214533

Structure parameters

• Formula: C26.4 H24.2 Co N2 O7.1
• Calculated formula: C26.4 H22 Co N2 O7.1
• 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: 10.7022 ± 0.0004 Å
• b: 10.7022 ± 0.0004 Å
• c: 22.8742 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2268.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.2944
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No