Information card for entry 7238857

Structure parameters

• Common name: HHU-3
• Formula: C36 H20 Co4 N6 O7
• Calculated formula: C36 H20 Co4 N6 O7
• Title of publication: Bifunctional pyrazolate‒carboxylate ligands for isoreticular cobalt and zinc MOF-5 analogs with magnetic analysis of the {Co4(μ4-O)} node
• Authors of publication: Heering, Christian; Boldog, Ishtvan; Vasylyeva, Vera; Sanchiz, Joaquín; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 9757
• a: 14.242 ± 0.003 Å
• b: 14.278 ± 0.003 Å
• c: 14.332 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2914.4 ± 1.2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 5
• Space group number: 16
• Hermann-Mauguin space group symbol: P 2 2 2
• Hall space group symbol: P 2 2
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No