Information card for entry 7002107

Structure parameters

• Formula: C15 H21 Cl2 N2 O2 Rh
• Calculated formula: C15 H21 Cl2 N2 O2 Rh
• SMILES: [Rh]12345(Cl)(=C6N(C)C=CN6CC[c]64[c]3([c]2([c]1([c]56C)C)C)C)Cl.O.O
• Title of publication: Easy preparation of Cp*-functionalized N-heterocyclic carbenes and their coordination to rhodium and iridium
• Authors of publication: da Costa, André Pontes; Sanaú, Mercedes; Peris, Eduardo; Royo, Beatriz
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 6960
• a: 9.128 ± 0.001 Å
• b: 10.8995 ± 0.0012 Å
• c: 18.2374 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.5 ± 0.3 ų
• Cell temperature: 273 ± 8 K
• Ambient diffraction temperature: 273 ± 8 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No