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Information card for entry 7102907
Preview
Coordinates | 7102907.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H33 B Cl N6 Ni S3 |
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Calculated formula | C21 H33 B Cl N6 Ni S3 |
SMILES | [B]123[Ni](Cl)([S]=C4N1C=CN4C(C)(C)C)([S]=C1N2C=CN1C(C)(C)C)[S]=C1N3C=CN1C(C)(C)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 | 15.829 ± 0.0006 Å |
b | 15.829 ± 0.0006 Å |
c | 18.4495 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4003.3 ± 0.4 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 7 |
Space group number | 161 |
Hermann-Mauguin space group symbol | R 3 c :H |
Hall space group symbol | R 3 -2"c |
Residual factor for all reflections | 0.0551 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0694 |
Weighted residual factors for all reflections included in the refinement | 0.0765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7102907.html
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