Information card for entry 7200601

Structure parameters

• Formula: C40 H36 Cl2 Cu N16 O4
• Calculated formula: C40 H36 Cl2 Cu N16 O4
• SMILES: c1nn2c[n]1[Cu]1([n]3cnn(Cc4cccc(c5nnc(c6cccc(C2)c6)o5)c4)c3)[n]2cnn(Cc3cccc(c4nnc(c5cccc(Cn6c[n]1cn6)c5)o4)c3)c2.O.[Cl-].O.[Cl-]
• Title of publication: Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand
• Authors of publication: Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1281
• a: 8.816 ± 0.004 Å
• b: 11.435 ± 0.005 Å
• c: 11.563 ± 0.005 Å
• α: 106.243 ± 0.007°
• β: 101.104 ± 0.007°
• γ: 106.755 ± 0.007°
• Cell volume: 1023.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No