Information card for entry 7018477

Structure parameters

• Formula: C106.25 H96.75 Co4 N11.25 O23.75
• Calculated formula: C106.25 H88 Co4 N11.25 O23.75
• Title of publication: A new class of thermo- and solvatochromic metal-organic frameworks based on 4-(pyridin-4-yl)benzoic acid.
• Authors of publication: Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4224 - 4231
• a: 31.9819 ± 0.0012 Å
• b: 31.9819 ± 0.0012 Å
• c: 25.3323 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25910.9 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.2142
• Weighted residual factors for all reflections included in the refinement: 0.2718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No