Information card for entry 7205859

Structure parameters

• Formula: C14 H14 Cu2 N4 O5
• Calculated formula: C14 H14 Cu2 N4 O5
• SMILES: [OH2][Cu]12[NH]=C3c4c(O[Cu]5([NH]=C(c6c(O2)cccc6)[N]1=[N]35)[OH2])cccc4.O
• Title of publication: Novel ligands and complexes in situ generated from the copper-mediated conversions of 2,5-bis(2-hydroxyphenyl)-1,3,4-oxadiazole: structures and magnetic properties
• Authors of publication: Fang, Zhen-Lan; Yu, Rong-Min; Zhang, Jie; Lu, Can-Zhong
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 4032
• a: 20.435 ± 0.003 Å
• b: 4.9321 ± 0.0004 Å
• c: 15.875 ± 0.002 Å
• α: 90°
• β: 105.577 ± 0.005°
• γ: 90°
• Cell volume: 1541.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No