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Information card for entry 7041802
Preview
Coordinates | 7041802.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H54 B20 N2 P2 S4 |
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Calculated formula | C42 H54 B20 N2 P2 S4 |
SMILES | S(S[C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%10[BH]%1091[BH]168[BH]685[BH]23([BH]%12%1016)[C]47%118N=P(c1c(SC)cccc1)(c1ccccc1)c1ccccc1)[C]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]3%12%10[BH]%1091[BH]158[BH]586[BH]23([BH]%12%1015)[C]47%118N=P(c1c(SC)cccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Deactivation of the coordinating ability of the iminophosphorane group by the effect of ortho-carborane. |
Authors of publication | Crujeiras, Pablo; Rodríguez-Rey, José Luis; Sousa-Pedrares, Antonio |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 8 |
Pages of publication | 2572 - 2593 |
a | 11.9947 ± 0.0012 Å |
b | 15.9662 ± 0.0015 Å |
c | 16.0932 ± 0.0016 Å |
α | 108.061 ± 0.005° |
β | 108.609 ± 0.005° |
γ | 105.405 ± 0.005° |
Cell volume | 2539.5 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0507 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0874 |
Weighted residual factors for all reflections included in the refinement | 0.0941 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 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/7041802.html
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Users of the data should acknowledge the original authors of the
structural data.