Information card for entry 4072439

Structure parameters

• Formula: C35 H52 Cl N2 Rh
• Calculated formula: C35 H52 Cl N2 Rh
• SMILES: [Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)(Cl)=C(N(C)c1c(cccc1C(C)C)C(C)C)N(C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Study of the First N-Aryl Acyclic Diaminocarbene and Its Transition-Metal Complexes
• Authors of publication: Rosen, Evelyn L.; Sanderson, Matthew D.; Saravanakumar, Shanmuganathan; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5774
• a: 9.672 ± 0.0002 Å
• b: 17.937 ± 0.0005 Å
• c: 10.592 ± 0.0003 Å
• α: 90°
• β: 116.492 ± 0.0012°
• γ: 90°
• Cell volume: 1644.62 ± 0.08 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No