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Information card for entry 7102916
Preview
Coordinates | 7102916.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H39 B N7 Ni O2 S3 |
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Calculated formula | C25 H39 B N7 Ni O2 S3 |
SMILES | [Ni]123(OC(=O)C)[B](N4C(=[S]1)N(C=C4)C(C)(C)C)(N1C(=[S]2)N(C=C1)C(C)(C)C)N1C(=[S]3)N(C=C1)C(C)(C)C.C(#N)C |
Title of publication | Reactivity of the Ni‒>B dative sigma-bond in the nickel boratrane compounds [kappa4-B(mimBut)3]NiX (X=Cl, OAc, NCS, N3): synthesis of a series of B-functionalized tris(2-mercapto-1-tert-butylimidazolyl)borato complexes, [YTmBut)]NiZ. |
Authors of publication | Pang, Keliang; Tanski, Joseph M; Parkin, Gerard |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2008 |
Journal issue | 8 |
Pages of publication | 1008 - 1010 |
a | 10.4645 ± 0.0004 Å |
b | 14.1609 ± 0.0005 Å |
c | 20.7525 ± 0.0007 Å |
α | 90° |
β | 91.7673 ± 0.0004° |
γ | 90° |
Cell volume | 3073.78 ± 0.19 Å3 |
Cell temperature | 115 ± 2 K |
Ambient diffraction temperature | 115 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0646 |
Residual factor for significantly intense reflections | 0.0448 |
Weighted residual factors for significantly intense reflections | 0.1103 |
Weighted residual factors for all reflections included in the refinement | 0.1216 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
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/7102916.html
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Users of the data should acknowledge the original authors of the
structural data.