Information card for entry 1548875

Structure parameters

• Formula: C18 H39 Ag B10 N2 O7 P2 Ru
• Calculated formula: C18 H39 Ag B10 N2 O7 P2 Ru
• SMILES: [Ag]12([Ru]345([P](O[C]6789[B]%10%11%124[C]4%13%14(O[P]3(C(C)C)C(C)C)[B]3256%10[BH]25%13[BH]6%10%14[BH]%13%114[BH]47%12[BH]76%13[BH]684[BH]932[BH]5%1076)(C(C)C)C(C)C)(C#[O])C#[O])(ON(=[O]1)=O)[N]#CC
• 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: 10.6009 ± 0.0005 Å
• b: 13.8331 ± 0.0007 Å
• c: 11.0738 ± 0.0005 Å
• α: 90°
• β: 103.867 ± 0.002°
• γ: 90°
• Cell volume: 1576.57 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No