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Information card for entry 1545551
Preview
Coordinates | 1545551.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C101 H105 N8 O2 S U2 |
---|---|
Calculated formula | C101 H105 N8 O2 S U2 |
SMILES | [U]1234(S[U]567(Oc8c(cc(cc8C(C)(C)C)C(C)(C)C)C(C)(C)C)[N]8c9c%10cc%11c([N]4=Cc4n3c(C(c3n2c(C=[N]1c1c2cc%12c([N]7=Cc7n6c(C(c6n5c(C=8)cc6)(CC)CC)cc7)cccc%12cc2ccc1)cc3)(CC)CC)cc4)cccc%11cc%10ccc9)Oc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.c1(ccccc1)C |
Title of publication | Multi-electron reduction of sulfur and carbon disulfide using binuclear uranium(iii) borohydride complexes |
Authors of publication | Arnold, Polly L.; Stevens, Charlotte J.; Bell, Nicola L.; Lord, Rianne M.; Goldberg, Jonathan M.; Nichol, Gary S.; Love, Jason B. |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 5 |
Pages of publication | 3609 |
a | 15.9605 ± 0.0003 Å |
b | 16.6905 ± 0.0003 Å |
c | 18.0699 ± 0.0004 Å |
α | 67.132 ± 0.002° |
β | 86.551 ± 0.002° |
γ | 82.45 ± 0.002° |
Cell volume | 4396.61 ± 0.16 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170 ± 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 | 0.0771 |
Residual factor for significantly intense reflections | 0.0581 |
Weighted residual factors for significantly intense reflections | 0.1282 |
Weighted residual factors for all reflections included in the refinement | 0.1407 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
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/1545551.html
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Users of the data should acknowledge the original authors of the
structural data.