Information card for entry 7004578

Structure parameters

• Formula: C41 H22 Co3 F5 O7 P2
• Calculated formula: C41 H22 Co3 F5 O7 P2
• SMILES: [Co]123([Co]4([Co]1(C#[O])(C#[O])(C#[O])C24C#Cc1c(c(c(c(c1F)F)F)F)F)(C#[O])(C#[O])[P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• Title of publication: Some transition metal complexes derived from mono- and di-ethynyl perfluorobenzenes
• Authors of publication: Armitt, David J.; Bruce, Michael I.; Gaudio, Maryka; Zaitseva, Natasha N.; Skelton, Brian W.; White, Allan H.; Le Guennic, Boris; Halet, Jean-François; Fox, Mark A.; Roberts, Rachel L.; Hartl, František; Low, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6763 - 6775
• a: 11.617 ± 0.001 Å
• b: 17.643 ± 0.002 Å
• c: 19.108 ± 0.003 Å
• α: 97.855 ± 0.009°
• β: 91.445 ± 0.011°
• γ: 93.438 ± 0.007°
• Cell volume: 3870.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No