Information card for entry 4116397

Structure parameters

• Formula: C30 H22 F18 Ir N6 P3
• Calculated formula: C30 H22 F18 Ir N6 P3
• Title of publication: Synthesis and Photophysical Properties of Iridium(III) Bisterpyridine and Its Homologues: a Family of Complexes with a Long-Lived Excited State
• Authors of publication: Jean-Paul Collin; Isabelle M. Dixon; Jean-Pierre Sauvage; J. A. Gareth Williams; Francesco Barigelletti; Lucia Flamigni
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 5009 - 5016
• a: 19.2566 ± 0.0002 Å
• b: 16.3846 ± 0.0002 Å
• c: 11.2328 ± 0.0001 Å
• α: 90°
• β: 98.349 ± 0.008°
• γ: 90°
• Cell volume: 3506.52 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections: 1.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No