Information card for entry 7216581

Structure parameters

• Formula: C8 H8 Cu N4 Na O2 Se4
• Calculated formula: C8 H8 Cu N4 Na O2 Se4
• SMILES: c12c(nccn1)[Se][Cu]1([Se]c3c(nccn3)[Se]1)[Se]2.O.[Na+].O
• Title of publication: Novel Cu(iii) bis-1,2-diselenolene complex with a highly extended 3D framework through Na+ coordination
• Authors of publication: Ribas, Xavi; Dias, Jo�o; Morgado, Jorge; Wurst, Klaus; Almeida, Manuel; Veciana, Jaume; Rovira, Concepci�
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 93
• Pages of publication: 564
• a: 4.0446 ± 0.0002 Å
• b: 15.7964 ± 0.0009 Å
• c: 11.6721 ± 0.0006 Å
• α: 90°
• β: 91.563 ± 0.003°
• γ: 90°
• Cell volume: 745.45 ± 0.07 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No