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Information card for entry 2003776
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Coordinates | 2003776.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido-closo- 1,2-selenacupraoctahydrododecaborane |
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Formula | C36 H40 B10 Cu2 P2 Se |
Calculated formula | C36 H40 B10 Cu2 P2 Se |
SMILES | [Se]1234[Cu]5678([Cu]9%10%11([P](c%12ccccc%12)(c%12ccccc%12)c%12ccccc%12)[B]%12%13%147([BH]715[BH]152[BH]2%153[BH]346[BH]46%15[BH]%1552[BH]%1271[BH]%146%15[B]89%1334[H]%11)[H]%10)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | <i>exo</i>-2,7,11-μ~3~-[Dihydro(triphenylphosphine)cuprio-2<i>Cu</i>,7<i>H</i>,11<i>H</i>]-2-triphenylphosphine-<i>closo</i>-1,2-selenacupradodecaborane(8) |
Authors of publication | Thornton-Pett, M.; Kennedy, J. D.; Breen, S. P.; Spalding, T. R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 8 |
Pages of publication | 1496 - 1498 |
a | 12.0905 ± 0.0015 Å |
b | 12.0619 ± 0.0013 Å |
c | 13.97 ± 0.002 Å |
α | 89.416 ± 0.008° |
β | 81.601 ± 0.008° |
γ | 75.202 ± 0.008° |
Cell volume | 1947.8 ± 0.4 Å3 |
Cell temperature | 200 ± 1 K |
Ambient diffraction temperature | 200 ± 1 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0307 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for all reflections | 0.067 |
Weighted residual factors for significantly intense reflections | 0.0641 |
Goodness-of-fit parameter for all reflections | 1.09 |
Goodness-of-fit parameter for significantly intense reflections | 1.115 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2003776.html
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