Information card for entry 4331771

Structure parameters

• Formula: C34 H40 N4 O8 Ru2
• Calculated formula: C34 H40 N4 O8 Ru2
• SMILES: CC1=CC(C)=[O][Ru]23(O1)(OC(=CC(=[O]3)C)C)NC(=[N]1[N]2=C(N[Ru]231(OC(=CC(C)=[O]2)C)OC(=CC(=[O]3)C)C)c1ccccc1)c1ccccc1
• Title of publication: Metal-Induced Reductive Ring Opening of 1,2,4,5-Tetrazines: Three Resulting Coordination Alternatives, Including the New Non-Innocent 1,2-Diiminohydrazido(2−) Bridging Ligand System
• Authors of publication: Maji, Somnath; Sarkar, Biprajit; Patra, Srikanta; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1316 - 1325
• a: 25.225 ± 0.002 Å
• b: 10.296 ± 0.0004 Å
• c: 15.952 ± 0.0019 Å
• α: 90°
• β: 122.897 ± 0.008°
• γ: 90°
• Cell volume: 3478.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No