Information card for entry 7710432

Structure parameters

• Formula: C44 H55 Cl2 Co O P2 Ru S3
• Calculated formula: C44 H55 Cl2 Co O P2 Ru S3
• SMILES: [Ru]12(Cl)(Cl)([S]3[Co]45678([S]1CC[S]4CC3)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.O1CCCC1
• Title of publication: Reversible Binding of Dinitrogen on a Thiolate-Bridged Cobalt-Ruthenium Complex Supported by a Flexible Bidentate Phosphine Ligand
• Authors of publication: Dong, Wenjing; Yang, Dawei; Mei, Tao; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.4855 ± 0.001 Å
• b: 12.544 ± 0.0011 Å
• c: 15.9637 ± 0.0014 Å
• α: 94.842 ± 0.002°
• β: 105.592 ± 0.002°
• γ: 93.863 ± 0.002°
• Cell volume: 2197.7 ± 0.3 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1323
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No