Information card for entry 4070401

Structure parameters

• Formula: C23 H22 Cl2 I N4 O Rh
• Calculated formula: C23 H22 Cl2 I N4 O Rh
• SMILES: I[Rh](C#[O])(=C1N(C(Cl)=C(Cl)N1Cc1ccccc1)Cc1ccccc1)=C1N(C=CN1C)C
• Title of publication: Rhodium(I), a Carbene-Transfer Transition-Metal Ion and a Synthetic Route to Symmetrical and Asymmetrical Substitutedtrans-RhCl(CO)(NHC)(NHC) Complexes
• Authors of publication: Bittermann, Agnes; Herdtweck, Eberhardt; Härter, Peter; Herrmann, Wolfgang A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6963
• a: 21.2633 ± 0.0006 Å
• b: 12.0426 ± 0.0003 Å
• c: 21.5049 ± 0.0005 Å
• α: 90°
• β: 95.6203 ± 0.0013°
• γ: 90°
• Cell volume: 5480.2 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No