Information card for entry 7039477

Structure parameters

• Formula: C49 H37 N5 O5 Ru
• Calculated formula: C49 H37 N5 O5 Ru
• Title of publication: Azadipyrromethene cyclometalation in neutral Ru(II) complexes: photosensitizers with extended near-infrared absorption for solar energy conversion applications.
• Authors of publication: Bessette, André; Cibian, Mihaela; Ferreira, Janaina G.; DiMarco, Brian N.; Bélanger, Francis; Désilets, Denis; Meyer, Gerald J.; Hanan, Garry S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10563 - 10576
• a: 15.6633 ± 0.0007 Å
• b: 24.01 ± 0.001 Å
• c: 21.6141 ± 0.001 Å
• α: 90°
• β: 104.679 ± 0.002°
• γ: 90°
• Cell volume: 7863.2 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.1045
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No