Information card for entry 7000200

Structure parameters

• Formula: C43 H42 N2 O P2 Ru
• Calculated formula: C43 H42 N2 O P2 Ru
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(C#CC(=C(C#N)C#N)OC)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Tricyanovinylalkynyl‒metal complexes: synthesis and some reactions
• Authors of publication: Bruce, Michael I.; Burgun, Aléxandre; Kramarczuk, Kathy A.; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; White, Allan H.; Zaitseva, Natasha N.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 33 - 36
• a: 23.8872 ± 0.0008 Å
• b: 15.8051 ± 0.0004 Å
• c: 21.3047 ± 0.0006 Å
• α: 90°
• β: 113.464 ± 0.004°
• γ: 90°
• Cell volume: 7378.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1103
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No