Information card for entry 7016697

Structure parameters

• Formula: C84 H94 B Cl N2 O3 P2 Ru
• Calculated formula: C72 H70 B Cl N2 P2 Ru
• SMILES: [Ru]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C(=C1N1CCCCC1)N1CCCCC1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 14.3816 ± 0.0002 Å
• b: 26.5861 ± 0.0002 Å
• c: 18.6904 ± 0.0002 Å
• α: 90°
• β: 97.387 ± 0.002°
• γ: 90°
• Cell volume: 7086.98 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0344
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No