Information card for entry 4066937

Structure parameters

• Formula: C29 H28 Br N2 Rh
• Calculated formula: C29 H28 Br N2 Rh
• SMILES: [Rh]123(Br)(=C4N(N=Cc5ccccc45)C(c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Phthalazin-2-ylidenes As Cyclic Amino Aryl Carbene Ligands in Rhodium(I) and Iridium(I) Complexes
• Authors of publication: Magriz, Antonio; Gómez-Bujedo, Silvia; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5941
• a: 10.0945 ± 0.0003 Å
• b: 11.196 ± 0.0004 Å
• c: 12.099 ± 0.0004 Å
• α: 101.853 ± 0.001°
• β: 94.531 ± 0.001°
• γ: 116.28 ± 0.001°
• Cell volume: 1177.21 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No