Information card for entry 7017681

Structure parameters

• Formula: C56 H67 Cl Gd Ir2 N8 O9.5
• Calculated formula: C56 H56 Cl Gd Ir2 N8 O9.5
• Title of publication: Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.
• Authors of publication: Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2408 - 2419
• a: 9.2299 ± 0.0002 Å
• b: 16.4704 ± 0.0004 Å
• c: 20.0201 ± 0.0005 Å
• α: 86.093 ± 0.002°
• β: 88.243 ± 0.001°
• γ: 76.451 ± 0.001°
• Cell volume: 2951.54 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No