Information card for entry 7032920

Structure parameters

• Formula: C102 H140 Mo6 N16 O23 Ru2
• Calculated formula: C102 H140 Mo6 N16 O23 Ru2
• SMILES: c12n3c4c(cc(c(c4)C)C)[n]2[Ru]24(n5c1[n](c1c5cc(c(c1)C)C)[Ru]153([n]3c(c6[n]1ccc(c6)C(C)(C)C)cc(cc3)C(C)(C)C)[n]1c(c3[n]5ccc(c3)C(C)(C)C)cc(cc1)C(C)(C)C)([n]1c(c3[n]2ccc(c3)C(C)(C)C)cc(cc1)C(C)(C)C)[n]1c(c2[n]4ccc(c2)C(C)(C)C)cc(cc1)C(C)(C)C.N(C=O)(C)C.O1[Mo]234(O[Mo]567([O]89%103[Mo]3%11(O6)(O[Mo]%10(O2)(O[Mo]8(O4)(O[Mo]19(O5)(=O)O%11)(=O)O3)(O7)=O)=O)=O)=O.C(=O)N(C)C.N(C=O)(C)C.N(C=O)(C)C
• 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: 13.7646 ± 0.0009 Å
• b: 15.249 ± 0.002 Å
• c: 15.6263 ± 0.0009 Å
• α: 83.004 ± 0.007°
• β: 86.889 ± 0.005°
• γ: 77.038 ± 0.007°
• Cell volume: 3171.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No