Information card for entry 7004416

Structure parameters

• Formula: C44 H31 Br2 Cl3 O9 P3 Ru3
• Calculated formula: C44 H31 Br2 Cl3 O9 P3 Ru3
• Title of publication: Reactivity of triruthenium thiophyne and furyne clusters: competitive S‒C and P‒C bond cleavage reactions and the generation of highly unsymmetrical alkyne ligands
• Authors of publication: Uddin, Md. Nazim; Begum, Noorjahan; Hassan, Mohammad R.; Hogarth, Graeme; Kabir, Shariff E.; Miah, Md. Arzu; Nordlander, Ebbe; Tocher, Derek A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6219 - 6230
• a: 18.4093 ± 0.0014 Å
• b: 11.1295 ± 0.0009 Å
• c: 25.182 ± 0.002 Å
• α: 90°
• β: 109.291 ± 0.001°
• γ: 90°
• Cell volume: 4869.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No