Information card for entry 4333372

Structure parameters

• Formula: C33 H36 B N7 O2 Ru S2 W
• Calculated formula: C33 H36 B N7 O2 Ru S2 W
• SMILES: [W]123([C]4S[Ru]5678(S[C]1#4)([cH]1[cH]8[cH]7[cH]6[cH]51)C#[N]c1c(cccc1C)C)(C#[O])(C#[O])[n]1c(C)cc(C)n1[BH](n1c(cc(C)[n]21)C)n1c(cc(C)[n]31)C
• Title of publication: On the Prospects of Polynuclear Complexes with Acetylenedithiolate Bridging Units
• Authors of publication: Seidel, Wolfram W.; Meel, Matthias J.; Radius, Udo; Schaffrath, Markus; Pape, Tania
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9616 - 9629
• a: 10.8601 ± 0.0013 Å
• b: 11.1179 ± 0.0013 Å
• c: 16.4084 ± 0.0018 Å
• α: 85.038 ± 0.003°
• β: 81.826 ± 0.003°
• γ: 63.096 ± 0.002°
• Cell volume: 1748.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0767
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No