Information card for entry 7016698

Structure parameters

• Formula: C100.99 H97.49 B2 N4.49 P2 Ru
• Calculated formula: C100.99 H97.485 B2 N4.495 P2 Ru
• 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: 11.666 ± 0.0002 Å
• b: 26.9068 ± 0.0006 Å
• c: 26.0151 ± 0.0006 Å
• α: 90°
• β: 97.058 ± 0.002°
• γ: 90°
• Cell volume: 8104.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No