Information card for entry 4311124

Structure parameters

• Formula: C8 H8 N4 Na2 Ni O2 Se4
• Calculated formula: C8 H8 N4 Na2 Ni O2 Se4
• SMILES: c12c(nccn1)[Se][Ni]1([Se]2)[Se]c2c(nccn2)[Se]1.O.[Na+].O.[Na+]
• Title of publication: Alkaline Side-Coordination Strategy for the Design of Nickel(II) and Nickel(III) Bis(1,2-diselenolene) Complex Based Materials
• Authors of publication: Xavi Ribas; João C. Dias; Jorge Morgado; Klaus Wurst; Isabel C. Santos; Manuel Almeida; José Vidal-Gancedo; Jaume Veciana; Concepció Rovira
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3631 - 3641
• a: 14.6372 ± 0.0004 Å
• b: 6.8642 ± 0.0002 Å
• c: 15.503 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.63 ± 0.07 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No