Information card for entry 7216101

Structure parameters

• Common name: N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex
• Chemical name: N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex
• Formula: C64 H46 N12
• Calculated formula: C64 H46 N12
• SMILES: c1(ccccn1)Nc1ccc(cc1)Nc1ccccn1.c12ccccc1nc1ccccc1n2.c12ccccc1nc1ccccc1n2.c12ccccc1nc1ccccc1n2.c12ccccc1nc1ccccc1n2
• 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: 9.8663 ± 0.0009 Å
• b: 10.7948 ± 0.0009 Å
• c: 12.5957 ± 0.0009 Å
• α: 108.446 ± 0.007°
• β: 101.895 ± 0.007°
• γ: 93.506 ± 0.007°
• Cell volume: 1233.66 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No