Information card for entry 1518969

Structure parameters

• Common name: (tbp)tpphz
• Formula: C47 H42 Cl6 N6
• Calculated formula: C46 H40 Cl4 N6
• SMILES: ClCCl.ClCCl.n1cc(cc2c3nc4c5c(nccc5)c5ncccc5c4nc3c3c(ncc(c3)c3ccc(cc3)C(C)(C)C)c12)c1ccc(cc1)C(C)(C)C
• 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: 7.6741 ± 0.0004 Å
• b: 15.701 ± 0.0006 Å
• c: 19.5176 ± 0.0008 Å
• α: 73.8 ± 0.004°
• β: 88.093 ± 0.004°
• γ: 86.939 ± 0.004°
• Cell volume: 2254.68 ± 0.18 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2191
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No