Information card for entry 7710680

Structure parameters

• Formula: C26 H34 Br2 Mo Ru S2
• Calculated formula: C26 H34 Br2 Mo Ru S2
• SMILES: [Mo]12345([S]6[Ru]789%10%11%12([S]1[c]1%10cccc[c]816)[c]1([c]%12([c]9([c]%11([c]71C)C)C)C)C)(Br)(Br)[c]1([c]2([c]5([c]4([c]31C)C)C)C)C
• Title of publication: A thiolate-bridged ruthenium–molybdenum complex featuring terminal nitrido and bridging amido ligands derived from the N–H and N–N bond cleavage of hydrazine
• Authors of publication: Li, Yahui; Su, Linan; Yang, Dawei; Di, Kai; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.897 ± 0.0006 Å
• b: 31.824 ± 0.002 Å
• c: 19.9124 ± 0.0014 Å
• α: 90°
• β: 93.4661 ± 0.0012°
• γ: 90°
• Cell volume: 5627.6 ± 0.7 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.261
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No