Information card for entry 7113307

Structure parameters

• Chemical name: catena-(dodecakis(μ~3~-4,5-diamide-2-olato-imidazolato)-(μ-~6~oxo)-tetra- aqua-dihydroxo-tetradeca-zinc(II)) dimethylformamide solvate
• Formula: C14.5 H22.25 Co1.75 N8.5 O7.375
• Calculated formula: C8.5 H8.25 Co1.75 N6.5 O5.375
• Title of publication: A supramolecular Co(II)14-metal-organic cube in a hydrogen-bonded network and a Co(II)-organic framework with a flexible methoxy substituent
• Authors of publication: Suvendu Sekhar Mondal; Asamanjoy Bhunia; Alexandra Kelling; Uwe Schilde; Christoph Janiak; Hans-Jurgen Holdt
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5441
• a: 17.8029 ± 0.0003 Å
• b: 17.8029 ± 0.0003 Å
• c: 29.2271 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9263.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7112265
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No