Information card for entry 4068755

Structure parameters

• Formula: C27 H15 O7 P2 Re2 S5
• Calculated formula: C27 H15 O7 P2 Re2 S5
• SMILES: [Re]1([Re]([P]1(c1sccc1)c1sccc1)([P](c1sccc1)(c1sccc1)c1sccc1)(C#[O])(C#[O])C#[O])(C#[O])(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: 13.1837 ± 0.0002 Å
• b: 11.2234 ± 0.0002 Å
• c: 22.169 ± 0.0004 Å
• α: 90°
• β: 104.315 ± 0.001°
• γ: 90°
• Cell volume: 3178.41 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.297
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No