Information card for entry 4076852

Structure parameters

• Formula: C8 H34 B18 Cl2 Co N O3
• Calculated formula: C8 H34 B18 Cl2 Co N O3
• SMILES: [Co]123(C#[O])(C#[O])(C#[O])[BH]456[BH]789[BH]%1014[BH]147[BH]7%118[BH]859[BH]265[H][BH]785[B]2516%11[B]173%104[BH]342[BH]289[BH]%1013[BH]132[BH]29([BH]548[H]6)[BH]34([H]2)[H][BH]7%1014.[N+](C)(C)(C)C.C(Cl)Cl
• Title of publication: Preparation and Characterization of Macropolyhedral Metallaborane Clusters from theanti-B18H22Borane Cluster: Crystal Structure of [(CH3)4N][anti-B18H20Co(CO)3]
• Authors of publication: Taylor, Jesse W.; Englich, Ulrich; Ruhlandt-Senge, Karin; Spencer, James T.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 14
• Pages of publication: 3054
• a: 13.9472 ± 0.0001 Å
• b: 10.1795 ± 0.0001 Å
• c: 19.5337 ± 0.0001 Å
• α: 90°
• β: 107.02°
• γ: 90°
• Cell volume: 2651.84 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0766
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections: 0.1716
• Weighted residual factors for significantly intense reflections: 0.1562
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for significantly intense reflections: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No