Information card for entry 7044405

Structure parameters

• Formula: C29 H30 B Cl6 N4 O Os P S2
• Calculated formula: C29 H30 B Cl6 N4 O Os P S2
• SMILES: [OsH]12([H][BH](N3C(=[S]1)N(C=C3)C)N1C(=[S]2)N(C=C1)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].ClC(Cl)Cl.ClC(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: 9.5809 ± 0.0003 Å
• b: 11.917 ± 0.0005 Å
• c: 16.4779 ± 0.0008 Å
• α: 81.611 ± 0.004°
• β: 80.31 ± 0.004°
• γ: 77.705 ± 0.003°
• Cell volume: 1800.13 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No