Information card for entry 4061438

Structure parameters

• Formula: C55.5 H48 Cl F6 Ir N O3 P2 Sb
• Calculated formula: C55.5 H48 Cl F6 Ir N O3 P2 Sb
• Title of publication: "Intramolecular Oxygen Transfer from a Nitro Group to a C-C Triple Bond Mediated by Iridium Hydrides"
• Authors of publication: Li, X; Incarvito, C. D.; Crabtree, R. H.
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 11.151 ± 0.002 Å
• b: 11.747 ± 0.002 Å
• c: 20.581 ± 0.004 Å
• α: 84.86 ± 0.03°
• β: 86.68 ± 0.03°
• γ: 72.19 ± 0.03°
• Cell volume: 2554.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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