Information card for entry 7018669

Structure parameters

• Formula: C72 H60 Cl4 Cu4 P4
• Calculated formula: C72 H60 Cl4 Cu4 P4
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Cu]12[Cl]3[Cu]4([P](c5ccccc5)(c5ccccc5)c5ccccc5)[Cl]1[Cu]1([P](c5ccccc5)(c5ccccc5)c5ccccc5)[Cl]4[Cu]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)[Cl]21
• Title of publication: New ruthenium metathesis catalysts with chelating indenylidene ligands: synthesis, characterization and reactivity.
• Authors of publication: Kabro, Anzhelika; Ghattas, Ghazi; Roisnel, Thierry; Fischmeister, Cédric; Bruneau, Christian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 3695 - 3700
• a: 17.3658 ± 0.0005 Å
• b: 18.0515 ± 0.0006 Å
• c: 20.3269 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6372.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P c n b
• Hall space group symbol: -P 2b 2ac
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No