Information card for entry 8100927

Structure parameters

• Formula: C23 H40 Cl Ir N2 O3
• Calculated formula: C23 H40 Cl Ir N2 O3
• SMILES: [Ir]12345(Cl)([NH2][C@H](C(=O)N1[C@H](C(=O)OC)CC(C)C)CC(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Crystal structure of chloro-pentamethylcyclopentadienyl-S-leucyl-S- leucyl methylester-iridium(III), C~23~H~40~ClIrN~2~O~3~
• Authors of publication: Polborn, Kurt; Hoffmüller, Wilfried; Beck, Wolfgang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 231 - 232
• a: 9.339 ± 0.002 Å
• b: 11.751 ± 0.007 Å
• c: 23.888 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2621.4 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.075
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No