Information card for entry 4068757

Structure parameters

• Formula: C27 H14 O7 P2 Re2 S5
• Calculated formula: C27 H14 O7 P2 Re2 S5
• SMILES: [Re]12([P](c3sccc3)(c3sccc3)c3sccc3[P]1([Re](C#[O])(C#[O])(C#[O])(C#[O])c1ccc[s]21)c1sccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Carbon−Phosphorus Bond Activation of Tri(2-thienyl)phosphine at Dirhenium and Dimanganese Centers
• Authors of publication: Uddin, Md. Nazim; Mottalib, M. Abdul; Begum, Noorjahan; Ghosh, Shishir; Raha, Arun K.; Haworth, Daniel T.; Lindeman, Sergey V.; Siddiquee, Tasneem A.; Bennett, Dennis W.; Hogarth, Graeme; Nordlander, Ebbe; Kabir, Shariff E.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1514
• a: 10.351 ± 0.0002 Å
• b: 17.8149 ± 0.0004 Å
• c: 33.7373 ± 0.0007 Å
• α: 90°
• β: 96.734 ± 0.001°
• γ: 90°
• Cell volume: 6178.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No