Information card for entry 7709677

Structure parameters

• Formula: C26 H32 B N Ru S2
• Calculated formula: C26 H32 B N Ru S2
• SMILES: [Ru]123456([c]7([c]1([c]2([c]3([c]47C)C)C)C)C)Sc1sc2c(cccc2)[n]1[B](c1c(cc(cc1C)C)C)([H]6)[H]5
• Title of publication: Cooperative B–H activation by Cp* based κ2-N,S-chelated Ru(ii) and Mo(ii) complexes (Cp* = η5-C5Me5)
• Authors of publication: Saha, Suvam; Haridas, Anagha; Assanar, Faneesha; Bansal, Charu; Sudhadevi Antharjanam, P. K.; Ghosh, Sundargopal
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.1446 ± 0.0016 Å
• b: 15.785 ± 0.003 Å
• c: 9.154 ± 0.004 Å
• α: 90°
• β: 102.158 ± 0.006°
• γ: 90°
• Cell volume: 2563 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1694
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No