Information card for entry 4311607

Structure parameters

• Formula: C12 H14 N8
• Calculated formula: C12 H14 N8
• SMILES: n1n(c(cc1C)C)c1nnc(nn1)n1nc(cc1C)C
• Title of publication: Isovalent and Mixed-Valent Diruthenium Complexes [(acac)2RuII(μ-bpytz)RuII(acac)2] and [(acac)2RuII(μ-bpytz)RuIII(acac)2](ClO4) (acac = Acetylacetonate and bpytz = 3,6-Bis(3,5-dimethylpyrazolyl)-1,2,4,5-tetrazine): Synthesis, Spectroelectrochemical, and EPR Investigation
• Authors of publication: Srikanta Patra; Biprajit Sarkar; Sandeep Ghumaan; Jan Fiedler; Wolfgang Kaim; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6108 - 6113
• a: 7.231 ± 0.0013 Å
• b: 16.669 ± 0.0011 Å
• c: 11.057 ± 0.0007 Å
• α: 90 ± 0.005°
• β: 103.335 ± 0.009°
• γ: 90 ± 0.009°
• Cell volume: 1296.8 ± 0.3 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No