Information card for entry 4063482

Structure parameters

• Formula: C14 H27 Au B N4 P S2
• Calculated formula: C14 H27 Au B N4 P S2
• SMILES: [Au]([P](CC)(CC)CC)[S]=C1N([BH2]N2C(=S)N(C=C2)C)C=CN1C
• Title of publication: Bimetallic Dihydrobis(methimazolyl)borate Coordination: Structure [Mo2{μ2-H2B(mt)2}(CO)7][Au2(μ2-H2B(mt)2}](PEt3)2] (mt = methimazolyl)
• Authors of publication: Hill, Anthony F.; Smith, Matthew K.; Tshabang, Never; Willis, Anthony C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 473 - 477
• a: 7.712 ± 0.005 Å
• b: 24.039 ± 0.005 Å
• c: 11.097 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2057.3 ± 1.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No