Information card for entry 1542494

Structure parameters

• Common name: (η4-NBD)Ru(η2-3,5-tBu2dp)2
• Chemical name: (η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium
• Formula: C27 H44 N4 P2 Ru
• Calculated formula: C27 H44 N4 P2 Ru
• SMILES: [Ru]12345(n6[n]1c(pc6C(C)(C)C)C(C)(C)C)([n]1c(pc(n21)C(C)(C)C)C(C)(C)C)[CH]1=[CH]3C2CC1[CH]4=[CH]52
• Title of publication: (η^4^-Bicyclo[2.2.1]hepta-2,5-diene)bis(η^2^-3,5-di-<i>tert</i>-butyl-1,2,4-diazaphospholido)ruthenium
• Authors of publication: Ren, Lili; Zheng, Wenjun
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x160110
• a: 10.922 ± 0.005 Å
• b: 11.661 ± 0.005 Å
• c: 13.641 ± 0.006 Å
• α: 86.619 ± 0.005°
• β: 79.75 ± 0.005°
• γ: 62.441 ± 0.005°
• Cell volume: 1515.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes