Information card for entry 7107147

Structure parameters

• Formula: C29 H29 Cl4 N4 Rh
• Calculated formula: C29 H29 Cl4 N4 Rh
• SMILES: C1(N(c2ccccc2)N=C(N1c1ccccc1)Nc1ccccc1)=[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)Cl.C(Cl)(Cl)Cl
• Title of publication: Nitron: a stable N-heterocyclic carbene that has been commercially available for more than a century
• Authors of publication: Christian Farber; Michael Leibold; Clemens Bruhn; Martin Maurer; Ulrich Siemeling
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 227 - 229
• a: 11.2724 ± 0.0009 Å
• b: 16.7158 ± 0.001 Å
• c: 15.8324 ± 0.0012 Å
• α: 90°
• β: 101.116 ± 0.006°
• γ: 90°
• Cell volume: 2927.3 ± 0.4 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: 0.063
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No