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Information card for entry 4114219
Preview
Coordinates | 4114219.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H19 F3 Mn N3 O |
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Calculated formula | C14 H19 F3 Mn N3 O |
SMILES | [Mn]12(F)(F)(F)[N](Cc3[n]2cccc3)(CC)Cc2[n]1cccc2.O |
Title of publication | A High-Frequency and High-Field EPR Study of New Azide and Fluoride Mononuclear Mn(III) Complexes |
Authors of publication | Claire Mantel; Alia K. Hassan; Jacques Pécaut; Alain Deronzier; Marie-Noëlle Collomb; Carole Duboc-Toia |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2003 |
Journal volume | 125 |
Pages of publication | 12337 - 12344 |
a | 8.705 ± 0.0015 Å |
b | 13.351 ± 0.002 Å |
c | 13.484 ± 0.002 Å |
α | 87.207 ± 0.003° |
β | 84.974 ± 0.003° |
γ | 81.127 ± 0.003° |
Cell volume | 1541.4 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 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 | 0.05 |
Residual factor for significantly intense reflections | 0.0365 |
Weighted residual factors for significantly intense reflections | 0.0959 |
Weighted residual factors for all reflections included in the refinement | 0.1004 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
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/4114219.html
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