Information card for entry 1507949

Structure parameters

• Common name: Gandelman-91(Yuri)
• Formula: C24 H52.33 Br Cl2 N5 O2.33 P2 Ru
• Calculated formula: C24 H52.33 Br Cl2 N5 O2.33333 P2 Ru
• SMILES: [Ru]12(Cl)(Cl)([P](CCn3[n]2[n+](cc3)CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)[O]=CN(C)C.[Br-].O.N(C=O)(C)C
• Title of publication: Nitrenium ions as ligands for transition metals.
• Authors of publication: Tulchinsky, Yuri; Iron, Mark A.; Botoshansky, Mark; Gandelman, Mark
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 525 - 531
• a: 28.71 ± 0.006 Å
• b: 28.71 ± 0.006 Å
• c: 10.909 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7787 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No