Information card for entry 7023815

Structure parameters

• Common name: Ditallium(i) di-N,N-(2-cyano-2-oximinoacetyl)piperazine
• Chemical name: Ditallium(I) di-N,N-(2-cyano-2-oximinoacetyl)piperazine
• Formula: C10 H8 N6 O4 Tl2
• Calculated formula: C10 H8 N6 O4 Tl2
• SMILES: C(=N\[O-])(C#N)/C(=O)N1CCN(C(=O)C(=N\[O-])\C#N)CC1.[Tl+].[Tl+]
• Title of publication: The first bis-cyanoxime: synthesis and properties of a new versatile and accessible polydentate bifunctional building block for coordination and supramolecular chemistry.
• Authors of publication: Cheadle, Carl; Gerasimchuk, Nikolay; Barnes, Charles L.; Tyukhtenko, Sergiy I.; Silchenko, Svitlana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 14
• Pages of publication: 4931 - 4946
• a: 4.2757 ± 0.0008 Å
• b: 13.674 ± 0.002 Å
• c: 12.009 ± 0.002 Å
• α: 90°
• β: 99.347 ± 0.002°
• γ: 90°
• Cell volume: 692.8 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0514
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No