Information card for entry 7216103

Structure parameters

• Common name: N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex
• Chemical name: N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex
• Formula: C34 H26 N6 O2 S
• Calculated formula: C34 H26 N6 O2 S
• SMILES: n1c2ccccc2nc2ccccc12.n1c(cccc1)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Nc1ncccc1
• Title of publication: Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines
• Authors of publication: Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 71
• Pages of publication: 433
• a: 14.1875 ± 0.0008 Å
• b: 8.7245 ± 0.0005 Å
• c: 23.006 ± 0.0013 Å
• α: 90°
• β: 101.831 ± 0.005°
• γ: 90°
• Cell volume: 2787.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No