Information card for entry 4340867

Structure parameters

• Formula: C22 H16 N2 S2 Ti
• Calculated formula: C22 H16 N2 S2 Ti
• Title of publication: Dinuclear Ru/Ni, Ir/Ni, and Ir/Pt Complexes with Bridging Phenanthroline-5,6-dithiolate: Synthesis, Structure, and Electrochemical and Photophysical Behavior.
• Authors of publication: Schallenberg, David; Neubauer, Antje; Erdmann, Elisa; Tänzler, Marco; Villinger, Alexander; Lochbrunner, Stefan; Seidel, Wolfram W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 8859 - 8873
• a: 10.8381 ± 0.0005 Å
• b: 16.1616 ± 0.0008 Å
• c: 10.5484 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847.67 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No