Information card for entry 7129587

Structure parameters

• Formula: C10 H36 B18 Co N O2
• Calculated formula: C10 H36 B18 Co N O2
• Title of publication: Structurally rigidified cobalt bis(dicarbollide) derivatives, a chiral platform for labelling of biomolecules and new materials
• Authors of publication: El Anwar, Suzan; Pazderová, Lucia; Bavol, Dmytro; Bakardjiev, Mario; Ruzickova, Zdenka; Horáček, Ondřej; Fojt, Lukáš; Kucera, Radim; Gruner, Bohumir
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 19.2195 ± 0.0012 Å
• b: 12.1823 ± 0.0009 Å
• c: 20.1517 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4718.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No