Information card for entry 7710429

Structure parameters

• Formula: C65 H69 B Cl3 Co P2 Ru S3
• Calculated formula: C65 H69 B Cl3 Co P2 Ru S3
• SMILES: [Ru]12([S]3[Co]45678([S]1CC[S]4CC3)[c]1([c]5([c]8([c]7([c]61C)C)C)C)C)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)Cl.ClCCl.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 12.0693 ± 0.001 Å
• b: 27.421 ± 0.002 Å
• c: 18.1837 ± 0.0015 Å
• α: 90°
• β: 101.051 ± 0.002°
• γ: 90°
• Cell volume: 5906.3 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 8
• 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: 0.1166
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No