Information card for entry 4062411

Structure parameters

• Formula: C22 H27 Co O6 Ti
• Calculated formula: C22 H27 Co O6 Ti
• SMILES: [Co](C#[O])(C#[O])(C#[O])C#[O].[Ti]12345678(OC(C)(C)C)([O]9CCCC9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Novel Titanium-Cobalt Complexes Formed by Reductive Cleavage of a Co-Co Bond in Co~2~(CO)~8~ by Titanocene tert-Butoxides: Synthesis, Characterization, and Mechanistic Aspects for Metal-Metal Bond Recombination
• Authors of publication: Niibayashi, Shota; Mitsui, Kaoru; Matsubara, Kouki; Nagashima, Hideo
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 24
• Pages of publication: 4885 - 4892
• a: 7.628 ± 0.002 Å
• b: 9.686 ± 0.003 Å
• c: 10.081 ± 0.003 Å
• α: 58.36 ± 0.02°
• β: 72.66 ± 0.02°
• γ: 64.84 ± 0.02°
• Cell volume: 571.2 ± 0.3 ų
• Cell temperature: 123.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No