Information card for entry 7032921

Structure parameters

• Formula: C58 H48 Mo6 N12 O19 Ru2
• Calculated formula: C58 H48 Mo6 N12 O19 Ru2
• SMILES: c12c3[n](cccc3)[Ru]34([n]5c(c6[n]4cccc6)cccc5)(n4c5cc(C)c(cc5[n]5c4c4n3c3c(cc(C)c(c3)C)[n]4[Ru]345([n]5c(cccc5)c5cccc[n]35)[n]3c(c5[n]4cccc5)cccc3)C)[n]2cccc1.O=[Mo]1234O[Mo]567(O[Mo]89%10(=O)O[Mo]%11(O2)(O6)(O[Mo]2(O3)(O[Mo](O1)(O5)(=O)(O8)[O]47%10%112)(=O)O9)=O)=O
• Title of publication: Cluster-controlled dimerisation in supramolecular ruthenium photosensitizer-polyoxometalate systems.
• Authors of publication: Heussner, Kirsten; Peuntinger, Katrin; Rockstroh, Nils; Rau, Sven; Streb, Carsten
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 330 - 337
• a: 23.524 ± 0.005 Å
• b: 18.492 ± 0.004 Å
• c: 19.764 ± 0.004 Å
• α: 90°
• β: 113.388 ± 0.004°
• γ: 90°
• Cell volume: 7891 ± 3 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: 0.0552
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No