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Information card for entry 1549311
Preview
Coordinates | 1549311.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H103 K Mn O13 |
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Calculated formula | C50 H103 K Mn O13 |
SMILES | [Mn](OC(C(C)(C)C)(C(C)(C)C)C)(OC(C)(C(C)(C)C)C(C)(C)C)OC(C(C)(C)C)(C(C)(C)C)C.[K]12345678([O]9CC[O]1CC[O]4CC[O]6CC[O]2CC9)[O]1CC[O]3CC[O]5CC[O]7CC[O]8CC1 |
Title of publication | Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex. |
Authors of publication | Halbach, Robert L.; Gygi, David; Bloch, Eric D.; Anderson, Bryce L.; Nocera, Daniel G. |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 19 |
Pages of publication | 4524 - 4528 |
a | 11.3584 ± 0.0005 Å |
b | 17.2479 ± 0.0008 Å |
c | 29.111 ± 0.0013 Å |
α | 90° |
β | 91.552 ± 0.0009° |
γ | 90° |
Cell volume | 5701 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.01 K |
Number of distinct elements | 5 |
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 | 0.118 |
Residual factor for significantly intense reflections | 0.083 |
Weighted residual factors for significantly intense reflections | 0.2151 |
Weighted residual factors for all reflections included in the refinement | 0.2413 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/1549311.html
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