Information card for entry 7004580

Structure parameters

• Formula: C39 H29 F5 P2 Ru
• Calculated formula: C39 H29 F5 P2 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#Cc1c(F)c(F)c(F)c(F)c1F)[cH]1[cH]5[cH]2[cH]3[cH]41
• 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: 8.988 ± 0.001 Å
• b: 15.065 ± 0.002 Å
• c: 23.42 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3171.2 ± 0.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for significantly intense reflections: 1.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No