Information card for entry 4063164

Structure parameters

• Formula: C25 H38 B F4 Ir N3 P
• Calculated formula: C25 H38 B F4 Ir N3 P
• SMILES: [Ir]12([P](C(C)C)(C(C)C)C(C)C)([n]3c(C=C1)cccc3)([n]1c(CC2)cccc1)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: C–H Activation and C–C Coupling Reactions in 2-Vinylpyridine Cationic Complexes of Iridium
• Authors of publication: Navarro, Janeth; Sola, Eduardo; Martín, Marta; Dobrinovitch, Isabel T.; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 8
• Pages of publication: 1908 - 1917
• a: 13.4686 ± 0.0008 Å
• b: 14.3097 ± 0.0009 Å
• c: 14.8785 ± 0.0009 Å
• α: 72.965 ± 0.001°
• β: 88.621 ± 0.001°
• γ: 85.814 ± 0.001°
• Cell volume: 2734.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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