Information card for entry 7024472

Structure parameters

• Formula: C60 H58 Br2 F12 N10 P2 Ru
• Calculated formula: C60 H58 Br2 F11.994 N10 P1.999 Ru
• Title of publication: Synthesis and characterization of regioselective substituted tetrapyridophenazine ligands and their Ru(II) complexes.
• Authors of publication: Karnahl, Michael; Tschierlei, Stefanie; Kuhnt, Christian; Dietzek, Benjamin; Schmitt, Michael; Popp, Jürgen; Schwalbe, Matthias; Krieck, Sven; Görls, Helmar; Heinemann, Frank W.; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2359 - 2370
• a: 15.6539 ± 0.0014 Å
• b: 15.9733 ± 0.0016 Å
• c: 16.3583 ± 0.0006 Å
• α: 75.624 ± 0.006°
• β: 74.766 ± 0.004°
• γ: 75.583 ± 0.008°
• Cell volume: 3748.4 ± 0.5 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: 0.1194
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2267
• Weighted residual factors for all reflections included in the refinement: 0.2487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No