Information card for entry 2016039

Structure parameters

• Chemical name: cis-Dicarbonyl-cis-dichlorido-trans-bis(triphenylphosphine-κP)iridium(III) tetrafluoroborate
• Formula: C38 H30 B Cl2 F4 Ir O2 P2
• Calculated formula: C38 H30 B Cl2 F4 Ir O2 P2
• Title of publication: <i>cis</i>-Dicarbonyl-<i>cis</i>-dichlorido-<i>trans</i>-bis(triphenylphosphine-κ<i>P</i>)iridium(III) tetrafluoridoborate, formed by reaction of (cycloocta-1,5-diene)bis(triphenylphosphine)iridium tetrafluoridoborate with carbonyl fluoride in dichloromethane solution
• Authors of publication: Harding, Duncan A. J.; Hope, Eric G.; Solan, Gregory A.; Fawcett, John
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m321 - m322
• a: 11.2488 ± 0.0005 Å
• b: 14.6091 ± 0.0007 Å
• c: 10.6711 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1753.63 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes