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Information card for entry 1551047
Preview
Coordinates | 1551047.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (μ-N2)[Mo(TBOS)3]2 |
---|---|
Formula | C72 H162 Mo2 N2 O24 Si6 |
Calculated formula | C72 H162 Mo2 N2 O24 Si6 |
SMILES | C(C)(C)(C)O[Si](O[Mo]1([N]#[N][Mo]2(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)([O](C(C)(C)C)[Si](O2)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O](C(C)(C)C)[Si](O1)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C |
Title of publication | Reactive Coordinatively Saturated Mo(III) Complex: Exploiting the Adaptive Hapticity of Tris(tert-butoxy)silanolate Ligands |
Authors of publication | Pucino, Margherita; Allouche, Florian; Gordon, Christopher P.; Wörle, Michael; Mougel, Victor; Coperet, Christophe |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 14.3543 ± 0.0009 Å |
b | 22.6953 ± 0.0016 Å |
c | 30.713 ± 0.002 Å |
α | 90° |
β | 98.374 ± 0.002° |
γ | 90° |
Cell volume | 9898.9 ± 1.1 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103.6 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1208 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.143 |
Weighted residual factors for all reflections included in the refinement | 0.1782 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1551047.html
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Users of the data should acknowledge the original authors of the
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