Information card for entry 4066938

Structure parameters

• Formula: C20 H26 Cl N2 Rh
• Calculated formula: C20 H26 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(N=Cc5ccccc45)C(C)(C)C)[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: 8.4515 ± 0.0005 Å
• b: 14.4911 ± 0.0009 Å
• c: 14.7224 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1803.07 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0272
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No