Information card for entry 7058808

Structure parameters

• Common name: [Ru(dgpy)(CO2HPh-tpy)] [(PF6)2]
• Chemical name: [{2,6-bis(3,4,7,8-tetrahydro-2H-pyrimido[1,2-a]pyrimidin-1(6H)-yl)pyridine}{4-([2,2':6',2''-terpyridin]-4'-yl)benzoic acid}]ruthenium(II) hexafluorophosphate
• Formula: C44 H48 F12 N10 O3 P2 Ru
• Calculated formula: C44 H48 F12 N10 O3 P2 Ru
• Title of publication: Panchromatic Ru(ii)-polypyridyl complexes as NIR emitters
• Authors of publication: Pal, Amlan K.; Adusumalli, Venkata Nanda Kishor Babu
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 14669
• a: 8.4554 ± 0.0002 Å
• b: 13.7942 ± 0.0004 Å
• c: 20.8461 ± 0.0005 Å
• α: 97.201 ± 0.0014°
• β: 94.249 ± 0.0015°
• γ: 106.877 ± 0.0014°
• Cell volume: 2292.64 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0439
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0486
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No