Information card for entry 4061269

Structure parameters

• Formula: C33 H30 Cl F12 Ir N2 O2
• Calculated formula: C33 H30 Cl F12 Ir N2 O2
• SMILES: [Ir]12(OC)([n]3ccc(cc3c3cc(cc(c13)C(F)(F)F)C(F)(F)F)C)(Cl)[n]1ccc(cc1c1cc(cc(c21)C(F)(F)F)C(F)(F)F)C.CCOCC
• 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: 10.8837 ± 0.0015 Å
• b: 11.9141 ± 0.0016 Å
• c: 13.6025 ± 0.0018 Å
• α: 100.636 ± 0.003°
• β: 98.217 ± 0.003°
• γ: 94.766 ± 0.003°
• Cell volume: 1704.8 ± 0.4 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