Information card for entry 7037843

Structure parameters

• Formula: C50 H56 Cl2 N2 O P2 Ru Si
• Calculated formula: C50 H56 Cl2 N2 O P2 Ru Si
• SMILES: [RuH]1([P](N2C=1N(C=C2)C)(C(C)(C)C)C(C)(C)C)([Si](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].ClCCl
• Title of publication: Preparation and reactivity of a Ru(0) phosphino-carbene complex.
• Authors of publication: Mosaferi, Eliar; Pan, Li; Wang, Tongen; Sun, Yunshan; Pranckevicius, Conor; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1354 - 1358
• a: 10.1203 ± 0.0004 Å
• b: 11.7277 ± 0.0005 Å
• c: 20.6158 ± 0.0009 Å
• α: 102.745 ± 0.002°
• β: 99.465 ± 0.002°
• γ: 92.991 ± 0.002°
• Cell volume: 2344.1 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No