Information card for entry 7023816

Structure parameters

• Common name: Di-N,N-(2-cyano-2-oximinoacetyl)piperazine
• Chemical name: Di-N,N-(2-cyano-2-oximinoacetyl)piperazine
• Formula: C10 H10 N6 O4
• Calculated formula: C10 H10 N6 O4
• 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: 6.298 ± 0.005 Å
• b: 15.488 ± 0.012 Å
• c: 6.453 ± 0.005 Å
• α: 90°
• β: 102.648 ± 0.013°
• γ: 90°
• Cell volume: 614.2 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No