Information card for entry 8100614

Structure parameters

• Formula: C31 H39 Co2 O5 Ti
• Calculated formula: C31 H39 Co2 O5 Ti
• SMILES: [Co]1234(C([Co]1(C#[O])(C#[O])C#[O])=[O][Ti]156789%10%112([c]2([c]7([c]6([c]5([c]12C)C)C)C)C)([c]1(C)[c]8([c]9(C)[c]%10(C)[c]%111C)C)C3=C4C(C)(C)C)C#[O]
• Title of publication: Crystal structure of bis(η^5^-pentamethylcyclopentadienyl)(μ~3~- (oxymethylidin)-cyclo-(tricarbonylcobalt)(monocarbonylcobalt)-(μ~2~- η^2^-3-trimethylpropinyl)titan, C~31~H~39~Co~2~O~5~Ti
• Authors of publication: Spannenberg, Anke; Dallmann, Kai; Burlakov, Vladimir V.; Rosenthal, Uwe
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 2
• Pages of publication: 241 - 243
• a: 12.714 ± 0.003 Å
• b: 15.495 ± 0.003 Å
• c: 15.596 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3072.5 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No