Information card for entry 7110544

Structure parameters

• Chemical name: complex of 4,4'-bipyridine and 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone
• Formula: C16 H10 Cl2 N2 O4
• Calculated formula: C16 H10 Cl2 N2 O4
• SMILES: c1(cc[nH+]cc1)c1cc[nH+]cc1.C1(Cl)=C([O-])C(=O)C(=C([O-])C1=O)Cl
• Title of publication: Novel supramolecular synthon in crystal engineering: ionic complexes of 4,4'-bipyridine and 1,2-bis(2-pyridyl)ethylene with 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone
• Authors of publication: Zaman, Md. Badruz; Tomura, Masaaki; Yamashita, Yoshiro
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 999 - 1000
• a: 8.2377 ± 0.0007 Å
• b: 5.965 ± 0.0006 Å
• c: 15.0893 ± 0.001 Å
• α: 90°
• β: 94.986 ± 0.008°
• γ: 90°
• Cell volume: 738.65 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0506
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections: 0.1112
• Weighted residual factors for significantly intense reflections: 0.0932
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.067
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No