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Information card for entry 7040567
Preview
Coordinates | 7040567.cif |
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Original paper (by DOI) | HTML |
Chemical name | (NEt4)2[W(S2C6H3NHCO-t-Bu)3]-CH3CN |
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Formula | C51 H82 N6 O3 S6 W |
Calculated formula | C51 H82 N6 O3 S6 W |
Title of publication | Comparative studies on the contribution of NHS hydrogen bonds in tungsten and molybdenum benzenedithiolate complexes. |
Authors of publication | Okamura, Taka-Aki; Omi, Yui; Hirano, Yasunori; Onitsuka, Kiyotaka |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 39 |
Pages of publication | 15651 - 15659 |
a | 11.4233 ± 0.0004 Å |
b | 28.3088 ± 0.0011 Å |
c | 18.3378 ± 0.0013 Å |
α | 90° |
β | 95.752 ± 0.007° |
γ | 90° |
Cell volume | 5900.2 ± 0.5 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 6 |
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 | 0.0779 |
Residual factor for significantly intense reflections | 0.0584 |
Weighted residual factors for significantly intense reflections | 0.1323 |
Weighted residual factors for all reflections included in the refinement | 0.1401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.116 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7040567.html
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