Information card for entry 1518966

Structure parameters

• Formula: C36 H37 Cl3 N2 O2
• Calculated formula: C36 H37 Cl3 N2 O2
• SMILES: ClC(Cl)Cl.O1c2c(OC1(C)C)c1c(ncc(c3ccc(cc3)C(C)(C)C)c1)c1ncc(c3ccc(cc3)C(C)(C)C)cc21
• 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: 10.9557 ± 0.0007 Å
• b: 11.8569 ± 0.0007 Å
• c: 14.1102 ± 0.0009 Å
• α: 104.299 ± 0.005°
• β: 109.647 ± 0.006°
• γ: 95.094 ± 0.005°
• Cell volume: 1642.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No