Information card for entry 7004581

Structure parameters

• Formula: C44 H39 F5 P2 Ru
• Calculated formula: C44 H39 F5 P2 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#Cc1c(F)c(F)c(F)c(F)c1F)[c]1([c]2(C)[c]3([c]4(C)[c]51C)C)C
• 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: 8.605 ± 0.001 Å
• b: 25.438 ± 0.003 Å
• c: 17.212 ± 0.002 Å
• α: 90°
• β: 100.864 ± 0.002°
• γ: 90°
• Cell volume: 3700.1 ± 0.7 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for significantly intense reflections: 0.962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No