Information card for entry 7000356

Structure parameters

• Formula: C45 H46 P2 Ru
• Calculated formula: C45 H46 P2 Ru
• SMILES: [Ru]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Transition metal alkynyl complexes by transmetallation from Au(CCAr)(PPh3) (Ar = C6H5 or C6H4Me-4)
• Authors of publication: Khairul, Wan M.; Fox, Mark A.; Zaitseva, Natasha N.; Gaudio, Maryka; Yufit, Dmitry S.; Skelton, Brian W.; White, Allan H.; Howard, Judith A. K.; Bruce, Michael I.; Low, Paul J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 4
• Pages of publication: 610
• a: 15.4106 ± 0.0003 Å
• b: 11.2059 ± 0.0002 Å
• c: 22.185 ± 0.0004 Å
• α: 90°
• β: 108.33 ± 0.01°
• γ: 90°
• Cell volume: 3636.7 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No