Information card for entry 2010046

Structure parameters

• Formula: C48 H40 Cl5 Ir N O4 P2
• Calculated formula: C48.5 H35 Cl5 Ir N O3 P2
• Title of publication: Chloro[<i>o</i>-(diphenylphosphino)benzaldehyde]{<i>N</i>-[<i>o</i>-(diphenylphosphino)benzylidene]ethylamine}(tetrachloro-<i>o</i>-catecholato)iridium(III)
• Authors of publication: Barbaro, P.; Bianchini, C.; Mealli, C.; Masi, D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 1414 - 1417
• a: 18.888 ± 0.004 Å
• b: 19.495 ± 0.005 Å
• c: 17.11 ± 0.004 Å
• α: 64.87 ± 0.02°
• β: 69.28 ± 0.02°
• γ: 65.86 ± 0.02°
• Cell volume: 5080 ± 2 ų
• Cell temperature: 294 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.067
• Goodness-of-fit parameter for significantly intense reflections: 2.46
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No