Information card for entry 7107146

Structure parameters

• Formula: C26 H26 Cl N4 O3 Rh
• Calculated formula: C26 H26 Cl N4 O3 Rh
• SMILES: C1(N(c2ccccc2)N=C(N1c1ccccc1)Nc1ccccc1)=[Rh](C#[O])(C#[O])Cl.C(C)OCC
• 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: 16.4133 ± 0.0009 Å
• b: 24.4635 ± 0.0016 Å
• c: 6.4734 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2599.2 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No