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Information card for entry 7040832
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Coordinates | 7040832.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | tetra(bispyrazolylaceticacid)bis(manganese(II))tetra(hexafluorophosphate) |
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Chemical name | tetra(bispyrazolylaceticacid)bis(manganese(II))tetra(hexafluorophosphate) |
Formula | C32 H44 Mn2 N16 O16 |
Calculated formula | C32 H44 Mn2 N16 O16 |
SMILES | C12C(=O)O[Mn]34([n]5cccn15)([n]1n2ccc1)OC(=O)C1n2[n](ccc2)[Mn]25([n]6n1ccc6)([n]1cccn1C(C(=O)O5)n1ccc[n]21)OC(=O)C(n1[n]3ccc1)n1[n]4ccc1.O.O.O.O.O.O.O.O |
Title of publication | Light- or oxidation-triggered CO release from [Mn(I)(CO)3(κ(3)-L)] complexes: reaction intermediates and a new synthetic route to [Mn(μ-O)2(L)2] compounds. |
Authors of publication | Sachs, Ulf; Schaper, Gerrit; Winkler, Daniela; Kratzert, Daniel; Kurz, Philipp |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 43 |
Pages of publication | 17464 - 17473 |
a | 8.3617 ± 0.001 Å |
b | 10.9758 ± 0.001 Å |
c | 12.1705 ± 0.0012 Å |
α | 103.77 ± 0.004° |
β | 95.537 ± 0.004° |
γ | 94.757 ± 0.003° |
Cell volume | 1073.3 ± 0.19 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.03 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0766 |
Weighted residual factors for all reflections included in the refinement | 0.0793 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/7040832.html
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