Information card for entry 1512138

Structure parameters

• Formula: C30 H18 Br4 F12 N6 P2 Ru
• Calculated formula: C30 H18 Br4 F12 N6 P2 Ru
• Title of publication: Experimental and computational exploration of ground and excited state properties of highly strained ruthenium terpyridine complexes.
• Authors of publication: Vallett, Paul J.; Damrauer, Niels H.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 30
• Pages of publication: 6489 - 6507
• a: 20.5937 ± 0.0017 Å
• b: 18.9018 ± 0.0017 Å
• c: 22.083 ± 0.002 Å
• α: 90°
• β: 103.108 ± 0.006°
• γ: 90°
• Cell volume: 8372 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No