Information card for entry 1517852

Structure parameters

• Formula: C111 H92 Co4 N16 O16
• Calculated formula: C111 H92 Co4 N16 O16
• Title of publication: New coordination features; a bridging pyridine and the forced shortest non-covalent distance between two CO32−species
• Authors of publication: Velasco, V.; Aguilà, D.; Barrios, L. A.; Borilovic, I.; Roubeau, O.; Ribas-Ariño, J.; Fumanal, M.; Teat, S. J.; Aromí, G.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 123
• a: 16.833 ± 0.002 Å
• b: 19.112 ± 0.002 Å
• c: 30.84 ± 0.004 Å
• α: 90°
• β: 101.398 ± 0.001°
• γ: 90°
• Cell volume: 9726 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No