Information card for entry 7029187

Structure parameters

• Formula: C28 H34 Cl Fe N2 O2 Rh
• Calculated formula: C28 H34 Cl Fe N2 O2 Rh
• SMILES: C1(=[Rh](C#[O])(C#[O])Cl)N([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[c]3([cH]2[cH]7[cH]8[cH]93)N1C1C2CC3CC1CC(C2)C3)CC(C)(C)C
• Title of publication: Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone.
• Authors of publication: Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3508 - 3520
• a: 11.797 ± 0.003 Å
• b: 19.483 ± 0.003 Å
• c: 12.948 ± 0.002 Å
• α: 90°
• β: 115.25 ± 0.014°
• γ: 90°
• Cell volume: 2691.6 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0959
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No