Information card for entry 4061274

Structure parameters

• Formula: C25 H39 F12 Ir O3 P2
• Calculated formula: C25 H39 F12 Ir O3 P2
• SMILES: [Ir]123([P](CC(O1)(C(F)(F)F)C(F)(F)F)(C(C3)(C)C)C(C)(C)C)(C#[O])[P](CC(O2)(C(F)(F)F)C(F)(F)F)(C(C)(C)C)C(C)(C)C
• Title of publication: Rare Organometallic Complex of Divalent, Four-Coordinate Iridium: Synthesis, Structural Characterization, and First Insights into Reactivity
• Authors of publication: Ionkin, Alex S.; Marshall, William J.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 25
• Pages of publication: 6031 - 6041
• a: 9.9034 ± 0.0008 Å
• b: 11.1101 ± 0.0009 Å
• c: 15.6891 ± 0.0013 Å
• α: 72.223 ± 0.002°
• β: 89.903 ± 0.002°
• γ: 73.369 ± 0.002°
• Cell volume: 1568.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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