Information card for entry 4076900

Structure parameters

• Common name: TpiPr2Co-OSiMe3
• Formula: C30 H55 B Co N6 O Si
• Calculated formula: C30 H55 B Co N6 O Si
• SMILES: [Co]12(O[Si](C)(C)C)[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
• Title of publication: Synthesis and Characterization of Coordinatively Unsaturated Alkynyl- and Aryl-Cobalt Complexes with 15 Valence Electrons, TpiPr2Co−R, Bearing the Hydrotris(3,5-diisopropylpyrazolyl)borato Ligand (TpiPr2)
• Authors of publication: Yoshimitsu, Shin-ichi; Hikichi, Shiro; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 3762
• a: 35.1213 ± 0.0015 Å
• b: 9.5247 ± 0.0003 Å
• c: 24.0016 ± 0.0012 Å
• α: 90°
• β: 115.634 ± 0.001°
• γ: 90°
• Cell volume: 7238.8 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No