Information card for entry 1517424

Structure parameters

• Formula: C44 H50 F12 N10 O P2 Ru
• Calculated formula: C44 H50 F12 N10 O P2 Ru
• Title of publication: Near infra-red emitting Ru(ii) complexes of tridentate ligands: electrochemical and photophysical consequences of a strong donor ligand with large bite angles
• Authors of publication: Pal, Amlan K.; Serroni, Scolastica; Zaccheroni, Nelsi; Campagna, Sebastiano; Hanan, Garry S.
• Journal of publication: Chem. Sci.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 12
• Pages of publication: 4800
• a: 8.5139 ± 0.0002 Å
• b: 13.5117 ± 0.0004 Å
• c: 21.1951 ± 0.0006 Å
• α: 96.631 ± 0.001°
• β: 94.882 ± 0.001°
• γ: 106.466 ± 0.001°
• Cell volume: 2304.75 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0347
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No