Information card for entry 7016699

Structure parameters

• Formula: C48 H62 Cl4 N11 P Pd Ru
• Calculated formula: C42 H53 Cl4 N8 P Pd Ru
• SMILES: [Ru]1([Cl][Pd](=C(N2CCCCC2)C=1N1CCCCC1)(Cl)Cl)(Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: The use of 1,2-dipiperidinoacetylene for the preparation of monometallic diaminoacetylene and homo- or heterobimetallic diaminodicarbene ruthenium(ii) complexes.
• Authors of publication: Petrov, Alex R.; Bannenberg, Thomas; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10503 - 10512
• a: 9.5899 ± 0.0008 Å
• b: 15.9641 ± 0.0018 Å
• c: 17.39 ± 0.002 Å
• α: 80.429 ± 0.009°
• β: 76.303 ± 0.008°
• γ: 86.48 ± 0.008°
• Cell volume: 2549.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No