Information card for entry 1548874

Structure parameters

• Formula: C32 H72 B20 Cl2 Cu2 O8 P4 Ru2
• Calculated formula: C32 H72 B20 Cl2 Cu2 O8 P4 Ru2
• SMILES: [Ru]1234([Cu]5([Cl][Cu]6([Ru]789([P](O[C]%10%11%12%13[B]%14%15%168[C]8%17%18(O[P]7(C(C)C)C(C)C)[B]769%10%14[BH]69%17[BH]%10%14%18[BH]%17%158[BH]8%11%16[BH]%11%10%17[BH]%10%128[BH]%1376[BH]9%14%11%10)(C(C)C)C(C)C)(C#[O])C#[O])[Cl]5)[B]56784[C]49%10(O[P]1(C(C)C)C(C)C)[B]1%1136[C]365(O[P]2(C(C)C)C(C)C)[BH]251[BH]14%11[BH]4%115[BH]562[BH]273[BH]38%10[BH]914[BH]%11523)(C#[O])C#[O]
• 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: 10.4786 ± 0.0005 Å
• b: 16.101 ± 0.0008 Å
• c: 16.7081 ± 0.0008 Å
• α: 90°
• β: 92.821 ± 0.002°
• γ: 90°
• Cell volume: 2815.5 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No