Information card for entry 7224264

Structure parameters

• Formula: C11 H16 B16 Cu2 O11.4
• Calculated formula: C11 H16 B16 Cu2 O11.4
• Title of publication: 10-Vertex closo-carborane: a unique ligand platform for porous coordination polymers
• Authors of publication: Boldog, Ishtvan; Bereciartua, Pablo J.; Bulánek, Roman; Kučeráková, Monika; Tomandlová, Markéta; Dušek, Michal; Macháček, Jan; De Vos, Dirk; Baše, Tomáš
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2036
• a: 31.1622 ± 0.0012 Å
• b: 31.1622 ± 0.0012 Å
• c: 11.1615 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10838.7 ± 0.8 ų
• Cell temperature: 299 ± 1 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 5
• Space group number: 109
• Hermann-Mauguin space group symbol: I 41 m d
• Hall space group symbol: I 4bw -2
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.1924
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for significantly intense reflections: 4.53
• Goodness-of-fit parameter for all reflections included in the refinement: 4.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No