Information card for entry 4085880

Structure parameters

• Formula: C70 H60 P4 Ru2 S
• Calculated formula: C70 H60 P4 Ru2 S
• SMILES: c1(ccc(C#C[Ru]23456([cH]7[cH]2[cH]3[cH]4[cH]57)[P](c2ccccc2)(c2ccccc2)CC[P]6(c2ccccc2)c2ccccc2)s1)C#C[Ru]12345([cH]6[cH]4[cH]3[cH]2[cH]16)[P](c1ccccc1)(c1ccccc1)CC[P]5(c1ccccc1)c1ccccc1
• Title of publication: Five-Membered Heterocycles as Linking Units in Strongly Coupled Homobimetallic Group 8 Metal Half-Sandwich Complexes
• Authors of publication: Pfaff, Ulrike; Hildebrandt, Alexander; Korb, Marcus; Schaarschmidt, Dieter; Rosenkranz, Marco; Popov, Alexey; Lang, Heinrich
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 2826
• a: 16.8002 ± 0.0005 Å
• b: 15.724 ± 0.0004 Å
• c: 22.0975 ± 0.0007 Å
• α: 90°
• β: 104.717 ± 0.003°
• γ: 90°
• Cell volume: 5645.9 ± 0.3 ų
• Cell temperature: 102.7 ± 0.2 K
• Ambient diffraction temperature: 102.7 ± 0.2 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: 0.0651
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No