Information card for entry 4071652

Structure parameters

• Formula: C40 H61 Cl2 N O P2 Ru
• Calculated formula: C40 H61 Cl2 N O P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](Cc3[n]2c(ccc3)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1c2ccccc2c2ccccc12.C(C)OCC
• Title of publication: Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes
• Authors of publication: Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3526
• a: 12.274 ± 0.003 Å
• b: 12.697 ± 0.003 Å
• c: 13.241 ± 0.004 Å
• α: 85.74 ± 0.05°
• β: 81.89 ± 0.03°
• γ: 83.86 ± 0.05°
• Cell volume: 2027.5 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0979
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No