Information card for entry 7004582

Structure parameters

• Formula: C82 H78 F4 P4 Ru2
• Calculated formula: C82 H78 F4 P4 Ru2
• SMILES: C(#Cc1c(F)c(c(C#C[Ru]23456([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[c]2([c]3([c]4([c]5([c]62C)C)C)C)C)c(c1F)F)F)[Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)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: 10.982 ± 0.001 Å
• b: 18.486 ± 0.002 Å
• c: 17.193 ± 0.002 Å
• α: 90°
• β: 93.839 ± 0.002°
• γ: 90°
• Cell volume: 3482.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for significantly intense reflections: 0.96
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No