Information card for entry 1564627

Structure parameters

• Formula: C32 H43 Cl2 Ir N2 O5
• Calculated formula: C32 H43 Cl2 Ir N2 O5
• SMILES: [Ir]1234(Cl)(Cl)([c]5(C)[c]1(C)[c]4([c]2([c]35C)C)C)=C1N(C[C@H]2O[C@@H]3OC(O[C@@H]3[C@H]3OC(O[C@@H]23)(C)C)(C)C)C=CN1Cc1ccccc1
• Title of publication: Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent
• Authors of publication: Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 508
• Pages of publication: 119651
• a: 7.85321 ± 0.00015 Å
• b: 10.98822 ± 0.00016 Å
• c: 20.4662 ± 0.0004 Å
• α: 80.0645 ± 0.0014°
• β: 81.6655 ± 0.0016°
• γ: 89.1459 ± 0.0014°
• Cell volume: 1721.13 ± 0.05 ų
• Cell temperature: 99.96 ± 0.17 K
• Ambient diffraction temperature: 99.96 ± 0.17 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0465
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No