Information card for entry 4062412

Structure parameters

• Formula: C32 H44 Mo O4 Ti
• Calculated formula: C32 H44 Mo O4 Ti
• SMILES: [Mo]1234([C]=[O][Ti]56789%10%11%12(OC(C)(C)C)([c]%13([c]5([c]6([c]7([c]8%13C)C)C)C)C)[c]5([c]%12([c]%11([c]%10([c]95C)C)C)C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 11.8594 ± 0.0008 Å
• b: 18.2041 ± 0.0009 Å
• c: 14.2014 ± 0.0011 Å
• α: 90°
• β: 91.831 ± 0.001°
• γ: 90°
• Cell volume: 3064.4 ± 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