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Information card for entry 4063580
Preview
Coordinates | 4063580.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H16 Mn N O4 |
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Calculated formula | C15 H16 Mn N O4 |
SMILES | [Mn]1234([c]5([cH]1[cH]2[cH]3[cH]45)[C@H](N(CC=C)C(=O)C)C)(C#[O])(C#[O])C#[O] |
Title of publication | Photochemistry of π- and n-Donor Bifunctional Monosubstituted Derivatives of Cyclopentadienylmanganese Tricarbonyl Complexes Containing an Allyl Group and Photo- and Thermoisomerization of the Corresponding Dicarbonyl Chelates |
Authors of publication | Kelbysheva, Elena S.; Ezernitskaya, Mariam G.; Strelkova, Tatyana V.; Borisov, Yurii A.; Smol’yakov, Aleksandr F.; Starikova, Zoya A.; Dolgushin, Fedor M.; Rodionov, Aleksey N.; Lokshin, Boris V.; Loim, Nikolay M. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 16 |
Pages of publication | 4342 |
a | 6.1133 ± 0.0004 Å |
b | 11.7522 ± 0.0007 Å |
c | 20.8528 ± 0.0012 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1498.16 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0296 |
Residual factor for significantly intense reflections | 0.0258 |
Weighted residual factors for significantly intense reflections | 0.06 |
Weighted residual factors for all reflections included in the refinement | 0.0614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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