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Information card for entry 2003411
Preview
Coordinates | 2003411.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1-triphenylphosphine-μ^3^-(2,7,11)-triphenylphosphinecupradihydrido- closo-1,2-telluracupraoctahydrododecaborane |
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Formula | C37 H42 B10 Cl2 Cu2 P2 Te |
Calculated formula | C37 H42 B10 Cl2 Cu2 P2 Te |
SMILES | [Te]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.ClCCl |
Title of publication | {<i>exo</i>-2,7,11-μ~3~-[(μ-H)~2~Cu(PPh~3~)]-2-(PPh~3~)-<i>closo</i>-2,1-CuTeB~10~H~8~}.CH~2~Cl~2~ |
Authors of publication | Thornton-Pett, M.; Kennedy, J. D.; Faridoon; Spalding, T. R. |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1995 |
Journal volume | 51 |
Journal issue | 5 |
Pages of publication | 840 - 843 |
a | 11.6125 ± 0.0009 Å |
b | 12.6271 ± 0.0012 Å |
c | 16.45 ± 0.0014 Å |
α | 86.415 ± 0.007° |
β | 87.307 ± 0.007° |
γ | 63.307 ± 0.007° |
Cell volume | 2150.3 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.0482 |
Weighted residual factors for all reflections | 0.1324 |
Weighted residual factors for significantly intense reflections | 0.1267 |
Goodness-of-fit parameter for all reflections | 1.029 |
Goodness-of-fit parameter for significantly intense reflections | 1.066 |
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/2003411.html
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