Information card for entry 4076337

Structure parameters

• Formula: C58.5 H87.5 B18 Cl10.5 Co Cs N2 O5
• Calculated formula: C57.75 H86.75 B18 Cl8.25 Co Cs N2 O5
• Title of publication: The Zwitterion [8,8′-μ-CH2O(CH3)-(1,2-C2B9H10)2-3,3′-Co]0as a Versatile Building Block To Introduce Cobalt Bis(Dicarbollide) Ion into Organic Molecules
• Authors of publication: Plešek, Jaromír; Grüner, Bohumír; Šícha, Václav; Bőhmer, Volker; Císařová, Ivana
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1703
• a: 14.5021 ± 0.0002 Å
• b: 18.3083 ± 0.0003 Å
• c: 31.5734 ± 0.0005 Å
• α: 94.4656 ± 0.0011°
• β: 99.342 ± 0.001°
• γ: 107.188 ± 0.0007°
• Cell volume: 7831.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2236
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No