Information card for entry 1518963

Structure parameters

• Common name: Ru(tbp)tpphz
• Formula: C96 H108 F12 N18 P2 Ru
• Calculated formula: C82 H87 F12 N11 P2 Ru
• SMILES: c1cc(cc2c3cc(cc[n]3[Ru]34([n]5cc(cc6c7c(c8cc(c[n]3c8c56)c3ccc(cc3)C(C)(C)C)nc3c(c5c(c6c3cccn6)nccc5)n7)c3ccc(cc3)C(C)(C)C)([n]12)[n]1c(c2cc(cc[n]42)C(C)(C)C)cc(cc1)C(C)(C)C)C(C)(C)C)C(C)(C)C.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Optimized synthesis of a tert-butyl-phenyl-substituted tetrapyridophenazine ligand and its Ru(ii) complexes and determination of dimerization behaviour of the complexes through supramolecular "Fingerhakel".
• Authors of publication: Ritter, K.; Pehlken, C.; Sorsche, D.; Rau, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8889 - 8905
• a: 51.8116 ± 0.0007 Å
• b: 15.1574 ± 0.0002 Å
• c: 25.2431 ± 0.0003 Å
• α: 90°
• β: 91.59 ± 0.001°
• γ: 90°
• Cell volume: 19816.5 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No