Information card for entry 7125056

Structure parameters

• Chemical name: [syn,syn,syn-5,10,15-tris(3-pyridyl)-10,15-dihydro-5H-diindeno[1,2-a;1',2'-c]fluorene]rhenium(I)tricarbonyl hexafluorophosphate
• Formula: C68 H53 Cl60 F6 N3 O3 P Re
• Calculated formula: C48 H33 F6 N3 O3 P Re
• Title of publication: Synthesis and photophysical properties of C₃-symmetric tris(pyridyl)truxene scaffolds of Ru(ii) and Re(i).
• Authors of publication: Norouzi-Arasi, Hassan; Pal, Amlan K.; Nag, Samik; Chartrand, Daniel; Hanan, Garry S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 82
• Pages of publication: 12159 - 12162
• a: 13.4468 ± 0.0003 Å
• b: 13.4468 ± 0.0003 Å
• c: 53.0891 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8313.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No