Information card for entry 7044408

Structure parameters

• Formula: C34 H33 B2 Cl2 N4 O3 P Ru S2
• Calculated formula: C34 H33 B2 Cl2 N4 O3 P Ru S2
• SMILES: [Ru]12([H][BH](N3C(=[S]2)N(C=C3)C)N2C(=[S]1)N(C=C2)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])B1Oc2c(O1)cccc2.ClCCl
• 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: 11.193 ± 0.0005 Å
• b: 12.0791 ± 0.0005 Å
• c: 14.4768 ± 0.0007 Å
• α: 76.821 ± 0.004°
• β: 83.043 ± 0.004°
• γ: 72.153 ± 0.004°
• Cell volume: 1811.25 ± 0.15 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: 0.0321
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No