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Information card for entry 7105303
Preview
Coordinates | 7105303.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C98 H189 Cl2 Mn12 N O50 |
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Calculated formula | C97 H187 Mn12 N O50 |
Title of publication | Pressure-induced Jahn-Teller switching in a Mn12 nanomagnet. |
Authors of publication | Parois, Pascal; Moggach, Stephen A; Sanchez-Benitez, Javier; Kamenev, Konstantin V; Lennie, Alistair R; Warren, John E; Brechin, Euan K; Parsons, Simon; Murrie, Mark |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 11 |
Pages of publication | 1881 - 1883 |
a | 16.099 ± 0.004 Å |
b | 16.702 ± 0.004 Å |
c | 27.57 ± 0.006 Å |
α | 76.585 ± 0.004° |
β | 78.042 ± 0.004° |
γ | 77.809 ± 0.004° |
Cell volume | 6950 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.103 |
Residual factor for significantly intense reflections | 0.0809 |
Weighted residual factors for significantly intense reflections | 0.2516 |
Weighted residual factors for all reflections included in the refinement | 0.2692 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.478 Å |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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