Information card for entry 4061982

Structure parameters

• Formula: C20 H32 B F4 Ir N3 P
• Calculated formula: C20 H32 B F4 Ir N3 P
• SMILES: [IrH]1([P](CCc2c1cccc2)(C(C)C)C(C)C)([N]#CC)([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Synthesis, Molecular Structure and Reactivity of Iridium(I) and Iridium(III) Complexes formed by Coordination and C-H Activation of the Substituted Arenes C6H5CH2CH2PiPr2 and C6H5OCH2CH2PtBu2
• Authors of publication: Canepa,G.; Lahoz,F.J.; Martin,M; Oro,L.A.; Sola,E.; Werner,H.
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 11.3293 ± 0.0007 Å
• b: 11.3608 ± 0.0007 Å
• c: 11.8529 ± 0.0008 Å
• α: 113.827 ± 0.001°
• β: 117.545 ± 0.001°
• γ: 91.583 ± 0.001°
• Cell volume: 1193.34 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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