Information card for entry 7202004

Structure parameters

• Formula: C22 H26 Cu N8 O10
• Calculated formula: C22 H26 Cu N8 O10
• SMILES: c1c(/C=C/c2ccncn2)ccc[n]1[Cu]([OH2])([n]1cc(ccc1)/C=C/c1ccncn1)([OH2])([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Supramolecular architectures based on transition metal complexes with 1-(3-pyridyl)-2-(4′-pyrimidyl)ethene
• Authors of publication: Liu, Na; Wang, Yan-Qin; Gao, En-Qing; Chen, Zhen-Xia; Weng, Lin-Hong
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 7
• Pages of publication: 915
• a: 9.778 ± 0.004 Å
• b: 12.825 ± 0.006 Å
• c: 10.618 ± 0.005 Å
• α: 90°
• β: 95.422 ± 0.007°
• γ: 90°
• Cell volume: 1325.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1034
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No