Information card for entry 4086679

Structure parameters

• Formula: C29 H47 Cl2 Ge Ir N2
• Calculated formula: C29 H47 Cl2 Ge Ir N2
• SMILES: CC(C)(C)[N]1=C(c2ccccc2)N(C(C)(C)C)[Ge]1(C(C)(C)C)[Ir]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cl)Cl
• Title of publication: Amidinatogermylene Metal Complexes as Homogeneous Catalysts in Alcoholic Media
• Authors of publication: Álvarez-Rodríguez, Lucía; Cabeza, Javier A.; Fernández-Colinas, José M.; García-Álvarez, Pablo; Polo, Diego
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2516
• a: 24.1428 ± 0.0002 Å
• b: 9.3753 ± 0.0001 Å
• c: 27.3016 ± 0.0002 Å
• α: 90°
• β: 95.134 ± 0.001°
• γ: 90°
• Cell volume: 6154.82 ± 0.1 ų
• Cell temperature: 155 ± 2 K
• Ambient diffraction temperature: 155 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No