Information card for entry 7709678

Structure parameters

• Formula: C20 H23 N2 S4 Ta
• Calculated formula: C20 H23 N2 S4 Ta
• SMILES: [Ta]1234567(Sc8[n]2cccc8)(Sc2[n]3cccc2)(SS1)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C
• 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: 14.8469 ± 0.0007 Å
• b: 9.0723 ± 0.0004 Å
• c: 32.0883 ± 0.0014 Å
• α: 90°
• β: 96.996 ± 0.001°
• γ: 90°
• Cell volume: 4290 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.1891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No