Information card for entry 2008474

Structure parameters

• Chemical name: cis-chlorohydridotetrakis(triethylphosphine)iridium(III) bis(catecholato)borate
• Formula: C36 H69 B Cl Ir O4 P4
• Calculated formula: C36 H69 B Cl Ir O4 P4
• Title of publication: Salts of the bis(catecholato)borate anion with rhodium‒ and iridium‒phosphine complex cations
• Authors of publication: Clegg, William; Elsegood, Mark R.J.; Scott, Andrew J.; Marder, Todd B.; Dai, Chaoyang; Norman, Nicholas C.; Pickett, Nigel L.; Robins, Edward G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 733 - 739
• a: 14.276 ± 0.003 Å
• b: 15.29 ± 0.003 Å
• c: 19.807 ± 0.004 Å
• α: 90°
• β: 102.36 ± 0.02°
• γ: 90°
• Cell volume: 4223.3 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.05
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No