Information card for entry 7032922

Structure parameters

• Formula: C82 H116 Mo5 N14 O25 P2 Ru
• Calculated formula: C82 H116 Mo5 N14 O25 P2 Ru
• SMILES: c12c3[n](c4c(cc(c(c4)C)C)[nH]3)[Ru]34([n]1c1c(cc(c(c1)C)C)[nH]2)([n]1c(c2cc(cc[n]32)C(C)(C)C)cc(cc1)C(C)(C)C)[n]1c(c2cc(cc[n]42)C(C)(C)C)cc(cc1)C(C)(C)C.c1(ccccc1)P12=[O]3[Mo]45([O]6[Mo](O4)(O1)(O[Mo]1([O]4[Mo](O[Mo]3(O5)([O]=P64c3ccccc3)(=O)=O)(O2)(O1)(=O)=O)(=O)=O)(=O)=O)(=O)=O.CN(C)C=O.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.C[NH2+]C.C[NH2+]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: 16.2245 ± 0.0013 Å
• b: 16.8188 ± 0.0018 Å
• c: 20.5684 ± 0.0017 Å
• α: 73.816 ± 0.008°
• β: 89.37 ± 0.006°
• γ: 86.799 ± 0.008°
• Cell volume: 5381.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No