Information card for entry 7702719

Structure parameters

• Formula: C12 H16 N8
• Calculated formula: C12 H16 N8
• Title of publication: Synthesis, structure and spectroelectrochemical properties of a dinuclear ruthenium complex exhibiting a strong electronic interaction across a 1,2,4,5-tetrazine bridging ligand
• Authors of publication: Sarkar, Biprajit; Laye, Rebecca H.; Mondal, Biplab; Chakraborty, Soma; Paul, Rowena L.; Jeffery, John C.; Puranik, Vedavati G.; Ward, Michael D.; Kumar Lahiri, Goutam
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 2097
• a: 11.1301 ± 0.0008 Å
• b: 11.006 ± 0.0009 Å
• c: 11.4837 ± 0.001 Å
• α: 90°
• β: 100.492 ± 0.007°
• γ: 90°
• Cell volume: 1383.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No