Information card for entry 7022775

Structure parameters

• Formula: C9 H6 Co N6 O2
• Calculated formula: C9 H6 Co N6 O2
• 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: 14.5002 ± 0.0003 Å
• b: 7.1357 ± 0.0002 Å
• c: 11.309 ± 0.0003 Å
• α: 90°
• β: 116.939 ± 0.001°
• γ: 90°
• Cell volume: 1043.16 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No