Information card for entry 4313909

Structure parameters

• Formula: C34 H48 Cl4 N8 O8 Ru2
• Calculated formula: C34 H48 Cl4 N8 O8 Ru2
• SMILES: C1=C(C)O[Ru]23([n]4n(C(=[NH]2)/N=N/C2n5[n]([Ru]67([NH]=2)([O]=C(C)C=C(C)O6)OC(=CC(=[O]7)C)C)c(cc5C)C)c(cc4C)C)(OC(=CC(=[O]3)C)C)[O]=C1C.C(Cl)Cl.C(Cl)Cl
• Title of publication: An Unusual Dinuclear Ruthenium(III) Complex with a Conjugated Bridging Ligand Derived from Cleavage of a 1,4-Dihydro-1,2,4,5-Tetrazine Ring. Synthesis, Structure, and UV-Vis-NIR Spectroelectrochemical Characterization of a Five-Membered Redox Chain Incorporating Two Mixed-Valence States
• Authors of publication: Srikanta Patra; Thomas A. Miller; Biprajit Sarkar; Mark Niemeyer; Michael D. Ward; Goutam Kumar Lahiri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4707 - 4713
• a: 7.8398 ± 0.0002 Å
• b: 11.5798 ± 0.00029 Å
• c: 13.1291 ± 0.00029 Å
• α: 76.723 ± 0.0011°
• β: 80.9431 ± 0.0011°
• γ: 74.0127 ± 0.0011°
• Cell volume: 1109.52 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No