Information card for entry 7024360

Structure parameters

• Formula: C36 H63 Cl N9 O4 Ru2
• Calculated formula: C36 H63 Cl N9 O4 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O1)C)(OC(=[O]2)C)([N]1=C2N3[C@@H](CN2C[C@@H]1C(C)(C)C)C(C)(C)C)([N]1=C2N4[C@@H](CN2C[C@@H]1C(C)(C)C)C(C)(C)C)[N]#CC)Cl.N#CC.N#CC.[Ru]1234([Ru]([O]=C(O1)C)(OC(=[O]2)C)([N]1=C2N3[C@H](CN2C[C@H]1C(C)(C)C)C(C)(C)C)([N]1=C2N4[C@H](CN2C[C@H]1C(C)(C)C)C(C)(C)C)[N]#CC)Cl.N#CC.N#CC
• Title of publication: A novel heteroleptic paddlewheel diruthenium bicyclic guanidinate complex: synthesis, structure, and scope.
• Authors of publication: Lee, Richmond; Yang, Yuanyong; Tan, Geok Kheng; Tan, Choon-Hong; Huang, Kuo-Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 723 - 725
• a: 11.3725 ± 0.0013 Å
• b: 34.635 ± 0.004 Å
• c: 12.3568 ± 0.0013 Å
• α: 90°
• β: 117.046 ± 0.002°
• γ: 90°
• Cell volume: 4334.9 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.1056
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No