Information card for entry 7709676

Structure parameters

• Formula: C28 H32 B Mo N O2 S2
• Calculated formula: C28 H32 B Mo N O2 S2
• SMILES: c1cccc2c1N1C(=[S][Mo]3456([c]7([c]3([c]4([c]5([c]67C)C)C)C)C)(C#[O])(C#[O])[H][BH]1c1c(cc(cc1C)C)C)S2
• 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: 7.9288 ± 0.0003 Å
• b: 11.4436 ± 0.0005 Å
• c: 16.2874 ± 0.0008 Å
• α: 104.114 ± 0.002°
• β: 100.91 ± 0.002°
• γ: 104.039 ± 0.002°
• Cell volume: 1341.06 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No