Information card for entry 7022774

Structure parameters

• Formula: C9 H8.92 Co N3 O4.38
• Calculated formula: C9 H8.92 Co N3 O4.38333
• Title of publication: Novel Co-based metal-organic frameworks and their magnetic properties using asymmetrically binding 4-(4'-carboxyphenyl)-1,2,4-triazole.
• Authors of publication: Aharen, Tomoko; Habib, Fatemah; Korobkov, Ilia; Burchell, Tara J.; Guillet-Nicolas, Rémy; Kleiz, Fredy; Murugesu, Muralee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7795 - 7802
• a: 15.9295 ± 0.0005 Å
• b: 15.9295 ± 0.0005 Å
• c: 19.72 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4333.5 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No