Information card for entry 7131788

Structure parameters

• Formula: C29 H52 Cl Ge Ir N2 O P2
• Calculated formula: C29 H52 Cl Ge Ir N2 O P2
• SMILES: [Ir]12(C#[O])[Ge]3(Cl)N(c4ccccc4N3CCC[P]2(C(C)(C)C)C(C)(C)C)CCC[P]1(C(C)(C)C)C(C)(C)C
• Title of publication: A genuine germylene PGeP pincer ligand for formic acid dehydrogenation with iridium.
• Authors of publication: Fernández-Buenestado, Marta; Somerville, Rosie J.; López-Serrano, Joaquín; Campos, Jesús
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 17.8449 ± 0.0014 Å
• b: 16.1593 ± 0.0014 Å
• c: 23.0027 ± 0.0018 Å
• α: 90°
• β: 103.083 ± 0.005°
• γ: 90°
• Cell volume: 6460.9 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No