Information card for entry 4101202

Structure parameters

• Formula: C21 H26 I Ir N2
• Calculated formula: C21 H26 I Ir N2
• SMILES: [Ir]12345(I)(=C6N(C)C=CN6Cc6ccccc16)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 8.9105 ± 0.0005 Å
• b: 14.2032 ± 0.0007 Å
• c: 16.0373 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2029.64 ± 0.18 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No