Information card for entry 4062409

Structure parameters

• Formula: C24 H19 Co3 O11 Ti
• Calculated formula: C24 H19 Co3 O11 Ti
• SMILES: [Co]12([Co]3([Co]1([C]23=[O][Ti]12345678(OC(C)(C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 8.85 ± 0.0005 Å
• b: 27.732 ± 0.0017 Å
• c: 11.8344 ± 0.0006 Å
• α: 90°
• β: 108.879 ± 0.001°
• γ: 90°
• Cell volume: 2748.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No