Information card for entry 7044407

Structure parameters

• Formula: C28 H29 B Cl3 N4 O P Ru S2 Se
• Calculated formula: C28 H29 B Cl3 N4 O P Ru S2 Se
• SMILES: [Ru]12([SeH])([S]=C3N(C=CN3C)[BH](N3C(=[S]1)N(C=C3)C)[H]2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].C(Cl)(Cl)Cl
• Title of publication: Dihydrobis(methimazolyl)borato Complexes of Ruthenium and Osmium
• Authors of publication: Hill, Anthony; Foreman, Mark; Ma, Chenxi; Otten, Natalie E.; Sharma, Manab; Tshabang, Never; Ward, Jas S.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.8222 ± 0.0001 Å
• b: 17.7321 ± 0.0001 Å
• c: 19.1412 ± 0.0002 Å
• α: 90°
• β: 99.3538 ± 0.0008°
• γ: 90°
• Cell volume: 3289.46 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 10
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0639
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No