Information card for entry 1548876

Structure parameters

• Formula: C32 H72 Au2 B20 Cl2 O8 P4 Ru2
• Calculated formula: C32 H72 Au2 B20 Cl2 O8 P4 Ru2
• SMILES: [Au]12([Ru]34([P](O[C]5678[B]9%10%114[C]4%12%13(O[P]3(C(C)C)C(C)C)[B]3259[BH]25%12[BH]9%12%13[BH]%13%104[BH]46%11[BH]69%13[BH]974[BH]832[BH]5%1269)(C(C)C)C(C)C)(C#[O])C#[O])[Cl][Au]2([Ru]34([P](O[C]5678[B]9%10%114[C]4%12%13(O[P]3(C(C)C)C(C)C)[B]3259[BH]25%12[BH]9%12%13[BH]%13%104[BH]46%11[BH]69%13[BH]974[BH]832[BH]5%1269)(C(C)C)C(C)C)(C#[O])C#[O])[Cl]1
• Title of publication: Expansion of the (BB) 〉metallacycle with coinage metal cations: formation of B-M-Ru-B (M = Cu, Ag, Au) dimetalacyclodiboryls.
• Authors of publication: Eleazer, Bennett J.; Smith, Mark D.; Popov, Alexey A.; Peryshkov, Dmitry V.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 2601 - 2608
• a: 12.421 ± 0.0005 Å
• b: 12.596 ± 0.0006 Å
• c: 19.0782 ± 0.0008 Å
• α: 90°
• β: 101.457 ± 0.002°
• γ: 90°
• Cell volume: 2925.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.0352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No