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Information card for entry 7005830
Preview
Coordinates | 7005830.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H59 F6 Mn2 N2 O9 P5 |
---|---|
Calculated formula | C70 H59 F6 Mn2 N2 O9 P5 |
SMILES | [Mn]1([N]#C[Mn]2345(N=O)([c]6([cH]2[cH]3[cH]4[cH]56)C)[P](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)(C#[O])(C#[O])([P](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | The effect of micro-CN linkage isomerism and ancillary ligand set on directional metal-metal charge-transfer in cyanide-bridged dimanganese complexes. |
Authors of publication | Adams, Christopher J.; Anderson, Kirsty M.; Connelly, Neil G.; Llamas-Rey, Estefania; Orpen, A. Guy; Paul, Rowena L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 33 |
Pages of publication | 3609 - 3622 |
a | 18.98 ± 0.03 Å |
b | 11.234 ± 0.017 Å |
c | 31.52 ± 0.04 Å |
α | 90° |
β | 94.01 ± 0.15° |
γ | 90° |
Cell volume | 6704 ± 17 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.4146 |
Residual factor for significantly intense reflections | 0.116 |
Weighted residual factors for significantly intense reflections | 0.1801 |
Weighted residual factors for all reflections included in the refinement | 0.2848 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.877 |
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/7005830.html
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Users of the data should acknowledge the original authors of the
structural data.