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Information card for entry 1515081
Preview
Coordinates | 1515081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H146 Mn5 |
---|---|
Calculated formula | C78 H146 Mn5 |
SMILES | [MnH6]([Mn]1234[c]5([c]2([cH]4[c]3([cH]15)C(C)(C)C)C(C)(C)C)C(C)(C)C)([Mn]1234[c]5([c]3([cH]4[c]1([cH]25)C(C)(C)C)C(C)(C)C)C(C)(C)C)([Mn]1234[c]5([c]1([cH]2[c]3([cH]45)C(C)(C)C)C(C)(C)C)C(C)(C)C)[Mn]1234[c]5([c]1([cH]2[c]3([cH]45)C(C)(C)C)C(C)(C)C)C(C)(C)C.CCCCC.CCCCC |
Title of publication | Reactivity studies on [Cp′MnX(thf)]2: manganese amide and polyhydride synthesis |
Authors of publication | Maekawa, Miyuki; Römelt, Michael; Daniliuc, Constantin G.; Jones, Peter G.; White, Peter S.; Neese, Frank; Walter, Marc D. |
Journal of publication | Chemical Science |
Year of publication | 2012 |
Journal volume | 3 |
Journal issue | 10 |
Pages of publication | 2972 |
a | 27.484 ± 0.0004 Å |
b | 12.7411 ± 0.0002 Å |
c | 25.273 ± 0.0004 Å |
α | 90° |
β | 114.331 ± 0.002° |
γ | 90° |
Cell volume | 8064 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0569 |
Weighted residual factors for all reflections included in the refinement | 0.0592 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
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/1515081.html
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Users of the data should acknowledge the original authors of the
structural data.