Information card for entry 8100613

Structure parameters

• Formula: C33 H39 Co2 O8 Ti
• Calculated formula: C33 H39 Co2 O8 Ti
• SMILES: [Co]12([Co]3([C]1(C1=[O][Ti]456789%10%11([c]%12([c]4(C)[c]5(C)[c]6(C)[c]7%12C)C)([c]4(C)[c]8(C)[c]9(C)[c]%11([c]%104C)C)O1)=[C]23C(C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Crystal structure of bis(η^5^-pentamethylcyclopentadienyl)[μ~3~- (η^2^-3-trimethyl-propinylcarboxylato)-bis(tricarbonylcobalt)- titan], C~33~H~39~Co~2~O~8~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: 239 - 240
• a: 8.651 ± 0.002 Å
• b: 19.184 ± 0.004 Å
• c: 20.632 ± 0.004 Å
• α: 90°
• β: 90.5 ± 0.03°
• γ: 90°
• Cell volume: 3424 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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