Information card for entry 4064190

Structure parameters

• Formula: C30 H60 N2 Os P2
• Calculated formula: C30 H60 N2 Os P2
• SMILES: [OsH4]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)[n]1cn(cc1)c1c(cc(cc1C)C)C
• Title of publication: Osmium NHC Complexes from Alcohol-Functionalized Imidazoles and Imidazolium Salts
• Authors of publication: Eguillor, Beatriz; Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat; Oñate, Enrique; Pastor, Isidro M.; Peñafiel, Itziar; Yus, Miguel
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1658
• a: 12.222 ± 0.0016 Å
• b: 15.4235 ± 0.0019 Å
• c: 17.219 ± 0.002 Å
• α: 90°
• β: 98.9 ± 0.002°
• γ: 90°
• Cell volume: 3206.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0785
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No