Information card for entry 1507948

Structure parameters

• Common name: Gandelman-99(Yuri)
• Formula: C37 H38 Cl F6 N4 O P3 Rh
• Calculated formula: C37 H38 Cl F6 N4 O P3 Rh
• SMILES: [Rh]12(Cl)[P](CCN3N2N(CC[P]1(c1ccccc1)c1ccccc1)c1c3cccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=CN(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: 9.586 ± 0.002 Å
• b: 12.425 ± 0.002 Å
• c: 17.906 ± 0.004 Å
• α: 104.92 ± 0.03°
• β: 91.5 ± 0.02°
• γ: 107.28 ± 0.03°
• Cell volume: 1955.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No