Information card for entry 2216490

Structure parameters

• Chemical name: Di-μ-chlorido-1:2κ^2^Cl,2:3κ^2^Cl-tetrachlorido-1κCl,2κ^2^Cl,3κCl- bis[N,N''-bis(2-furylmethylene)diethylenetriamine]- 1κ^3^N,N',N'';3κ^3^N,N',N''-tricopper(II)
• Formula: C28 H32 Cl6 Cu3 N6 O4
• Calculated formula: C28 H32 Cl6 Cu3 N6 O4
• SMILES: C(c1ccco1)=[N]1CCN2CC[N](=Cc3ccco3)[Cu]12Cl.[Cl-][Cu](Cl)(Cl)[Cl-].C(c1ccco1)=[N]1CCN2CC[N](=Cc3ccco3)[Cu]12Cl
• Title of publication: Di-μ-chlorido-1:2κ^2^<i>Cl</i>,2:3κ^2^<i>Cl</i>-tetrachlorido-1κ<i>Cl</i>,2κ^2^<i>Cl</i>,3κ<i>Cl</i>-bis[<i>N</i>,<i>N</i>''-bis(2-furylmethylene)diethylenetriamine]-1κ^3^<i>N</i>,<i>N</i>',<i>N</i>'';3κ^3^<i>N</i>,<i>N</i>',<i>N</i>''-tricopper(II)
• Authors of publication: Qiang Wang; Da-Qi Wang; Yu-Ying Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m3010 - m3010
• a: 10.9456 ± 0.0015 Å
• b: 7.5287 ± 0.001 Å
• c: 22.248 ± 0.002 Å
• α: 90°
• β: 96.048 ± 0.002°
• γ: 90°
• Cell volume: 1823.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes