Information card for entry 4340866

Structure parameters

• Formula: C70 H57.5 F7.5 N2 Ni P4 Ru S2
• Calculated formula: C61 H50 F6 N2 Ni P4 Ru S2
• 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: 14.0988 ± 0.0004 Å
• b: 14.6087 ± 0.0004 Å
• c: 16.5442 ± 0.0005 Å
• α: 115.029 ± 0.001°
• β: 90.898 ± 0.002°
• γ: 99.323 ± 0.002°
• Cell volume: 3033.21 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0965
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No