Information card for entry 4060462

Structure parameters

• Formula: C28 H46 Cl3 F3 Ir O4 P2 S
• Calculated formula: C28 H46 Cl3 F3 Ir O4 P2 S
• SMILES: [Ir]12(Cl)([P](C(C)(C)C)(C(C)(C)C)CC3=CC=CC=C(C=23)C[P]1(C(C)(C)C)C(C)(C)C)C#[O].ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: C‒H versus Ir‒X (X = H, Cl) Reactivity in a Tropylium PCP Pincer Iridium Complex^1^
• Authors of publication: Winter, Angelika M.; Eichele, Klaus; Mack, Hans-Georg; Kaska, William C.; Mayer, Hermann A.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 1837 - 1844
• a: 9.1124 ± 0.0015 Å
• b: 14.864 ± 0.005 Å
• c: 15.61 ± 0.002 Å
• α: 62.273 ± 0.018°
• β: 87.045 ± 0.013°
• γ: 76.072 ± 0.016°
• Cell volume: 1812 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No