Information card for entry 1518968

Structure parameters

• Formula: C32 H30 N2 O2
• Calculated formula: C32 H30 N2 O2
• SMILES: c12ncc(cc2C(=O)C(=O)c2c1ncc(c2)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
• 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: 6.3897 ± 0.0004 Å
• b: 10.1543 ± 0.0007 Å
• c: 19.0511 ± 0.0013 Å
• α: 97.594 ± 0.006°
• β: 91.675 ± 0.005°
• γ: 92.92 ± 0.006°
• Cell volume: 1222.85 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0653
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No