Information card for entry 4061268

Structure parameters

• Formula: C32 H41 F12 Ir N O2 P
• Calculated formula: C32 H41 F12 Ir N O2 P
• SMILES: [IrH]12([P](CC(O1)(C(F)(F)F)C(F)(F)F)(C(C)(C)C)C(C)(C)C)([n]1ccc(cc1c1cc(cc(c21)C(F)(F)F)C(F)(F)F)C)C#[O].CCCCC
• 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: 9.4579 ± 0.0008 Å
• b: 13.6204 ± 0.0012 Å
• c: 14.8067 ± 0.0013 Å
• α: 73.913 ± 0.0015°
• β: 74.578 ± 0.0015°
• γ: 84.441 ± 0.0015°
• Cell volume: 1766.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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