Information card for entry 7105175

Structure parameters

• Formula: C47 H40 N2 P2 Ru
• Calculated formula: C47 H40 N2 P2 Ru
• SMILES: [RuH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2cccc3Cc4ccc[n]1c4c23
• Title of publication: Reversible H(2) splitting between Ru(II) and a remote carbanion in a zwitterionic compound.
• Authors of publication: Stepowska, Elzbieta; Jiang, Huiling; Song, Datong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 556 - 558
• a: 13.8338 ± 0.0004 Å
• b: 17.7363 ± 0.0006 Å
• c: 15.9357 ± 0.0003 Å
• α: 90°
• β: 105.997 ± 0.0016°
• γ: 90°
• Cell volume: 3758.57 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No