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Information card for entry 7040831
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Coordinates | 7040831.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(trispyrazolemethane)manganese(II)bis(hexafluorophosphate) |
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Chemical name | bis(trispyrazolemethane)manganese(II)bis(hexafluorophosphate) |
Formula | C20 H20 F12 Mn N12 P2 |
Calculated formula | C20 H20 F12 Mn N12 P2 |
SMILES | C12n3ccc[n]3[Mn]34([n]5n1ccc5)([n]1cccn21)[n]1cccn1C(n1ccc[n]31)n1ccc[n]41.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
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 | 8.3422 ± 0.0004 Å |
b | 16.6653 ± 0.0007 Å |
c | 10.7977 ± 0.0005 Å |
α | 90° |
β | 95.322 ± 0.002° |
γ | 90° |
Cell volume | 1494.68 ± 0.12 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100.02 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 | 0.0334 |
Residual factor for significantly intense reflections | 0.0284 |
Weighted residual factors for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.0778 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
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/7040831.html
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Users of the data should acknowledge the original authors of the
structural data.