Information card for entry 7110434

Structure parameters

• Common name: compound 2a
• Formula: C29 H51 B Co N6
• Calculated formula: C29 H51 B Co N6
• SMILES: [Co]12([n]3n(c(cc3C(C)C)C(C)C)[BH](n3[n]1c(cc3C(C)C)C(C)C)n1[n]2c(cc1C(C)C)C(C)C)CC
• Title of publication: Thermally stable coordinatively unsaturated alkyl complexes resistant to β-hydride elimination: TpiPrM‒CH2CH3 (M = Co, Fe)
• Authors of publication: Shirasawa, Nobuhiko; Akita, Munetaka; Hikichi, Shiro; Moro-oka, Yoshihiko
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 5
• Pages of publication: 417
• a: 10.309 ± 0.003 Å
• b: 16.206 ± 0.017 Å
• c: 19.207 ± 0.005 Å
• α: 90°
• β: 100.02 ± 0.02°
• γ: 90°
• Cell volume: 3160 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• 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: 0.0962
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections: 0.2235
• Weighted residual factors for significantly intense reflections: 0.2003
• Goodness-of-fit parameter for all reflections: 1.662
• Goodness-of-fit parameter for significantly intense reflections: 1.793
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK?Ga
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No