Information card for entry 4072900

Structure parameters

• Formula: C28 H39 Cl2 Ir N2 O9
• Calculated formula: C28 H39 Cl2 Ir N2 O9
• SMILES: [Ir]1234(Cl)(Cl)(=C5N(C=CN5[C@@H]5O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]5OC(=O)C)COC(=O)C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Sugar-Incorporated N-Heterocyclic Carbene Complexes
• Authors of publication: Nishioka, Takanori; Shibata, Teppei; Kinoshita, Isamu
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 5
• Pages of publication: 1126
• a: 13.962 ± 0.003 Å
• b: 14.058 ± 0.002 Å
• c: 17.559 ± 0.003 Å
• α: 90°
• β: 98.762 ± 0.004°
• γ: 90°
• Cell volume: 3406.2 ± 1.1 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No