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Information card for entry 2016939
Preview
Coordinates | 2016939.cif |
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Structure factors | 2016939.hkl |
Original IUCr paper | HTML |
Common name | bis(4'-(6-Acetylthiohexyloxy)-2,2:6',2''-terpyridine) manganese(II) hexafluorophosphate |
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Chemical name | Bis[<i>S</i>-6-(2,2:6',2''-terpyridin-4'-yloxy)hexyl thioacetate]manganese(II) bis(hexafluorophosphate) |
Formula | C46 H50 F12 Mn N6 O4 P2 S2 |
Calculated formula | C46 H50 F12 Mn N6 O4 P2 S2 |
Title of publication | Bis[<i>S</i>-6-(2,2:6',2''-terpyridin-4'-yloxy)hexyl thioacetate]manganese(II) bis(hexafluorophosphate) |
Authors of publication | Moth-Poulsen, Kasper; Bendix, Jesper; Hammershøj, Peter; Bjørnholm, Thomas |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 1 |
Pages of publication | m14 - m16 |
a | 9.127 ± 0.0016 Å |
b | 11.403 ± 0.003 Å |
c | 25.822 ± 0.002 Å |
α | 96.302 ± 0.012° |
β | 94.287 ± 0.011° |
γ | 105.312 ± 0.014° |
Cell volume | 2561.2 ± 0.9 Å3 |
Cell temperature | 122 ± 2 K |
Ambient diffraction temperature | 122 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1009 |
Residual factor for significantly intense reflections | 0.068 |
Weighted residual factors for significantly intense reflections | 0.1606 |
Weighted residual factors for all reflections included in the refinement | 0.1848 |
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 | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2016939.html
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Users of the data should acknowledge the original authors of the
structural data.