Information card for entry 7028060

Structure parameters

• Formula: C24 H38 B2 Cl Ir O4 P2
• Calculated formula: C24 H38 B2 Cl Ir O4 P2
• SMILES: [Ir](Cl)(B1Oc2c(O1)cccc2)(B1Oc2c(O1)cccc2)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: Boron‒boron bond oxidative addition to rhodium(I) and iridium(I) centres
• Authors of publication: Clegg, William; Lawlor, Fiona J.; Marder, Todd B.; Nguyen, Paul; Norman, Nicholas C.; Orpen, A. Guy; Quayle, Michael J.; Rice, Craig R.; Robins, Edward G.; Scott, Andrew J.; Souza, Fabio E. S.; Stringer, Graham; Whittell, George R.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 2
• Pages of publication: 301
• a: 13.97 ± 0.002 Å
• b: 10.5507 ± 0.0015 Å
• c: 19.155 ± 0.003 Å
• α: 90°
• β: 92.819 ± 0.003°
• γ: 90°
• Cell volume: 2819.9 ± 0.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.0854
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No