Information card for entry 1558056

Structure parameters

• Formula: C82 H65 Co4 N16 O12
• Calculated formula: C82 H65 Co4 N16 O12
• Title of publication: Cubes on a string: a series of linear coordination polymers with cubane-like nodes and dicarboxylate linkers.
• Authors of publication: Deville, Claire; Folkjær, Mads; Reinholdt, Peter; Hvid, Mathias S.; Lamagni, Paolo; Borup, Kasper; Sun, Zhaozong; Lauritsen, Jeppe Vang; McKee, Vickie; Jensen, Kirsten M Ø; Lock, Nina
• Journal of publication: Nanoscale
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 11601 - 11611
• a: 15.6211 ± 0.0008 Å
• b: 21.1135 ± 0.0012 Å
• c: 32.721 ± 0.003 Å
• α: 90°
• β: 93.605 ± 0.005°
• γ: 90°
• Cell volume: 10770.6 ± 1.3 ų
• Cell temperature: 100 ± 0.16 K
• Ambient diffraction temperature: 100 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.1772
• Residual factor for significantly intense reflections: 0.1143
• Weighted residual factors for significantly intense reflections: 0.2778
• Weighted residual factors for all reflections included in the refinement: 0.3252
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No