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Information card for entry 1548874
Preview
Coordinates | 1548874.cif |
---|---|
Original paper (by DOI) | HTML |
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 Å3 |
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 |
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The link is: https://www.crystallography.net/1548874.html
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