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Information card for entry 1564969
Preview
Coordinates | 1564969.cif |
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Original paper (by DOI) | HTML |
Formula | C16 H18 Fe N2 Se2 |
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Calculated formula | C16 H18 Fe N2 Se2 |
SMILES | [Se]([c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)CCN1C(=[Se])N(C=C1)C |
Title of publication | Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes: Selenones, silver and palladium complexes |
Authors of publication | Gonzalez, Rodary; Azpiroz, Ramón; Sharma, Pankaj; Villamizar C, Claudia P.; Anzaldo, Bertin; Pérez-Flores, Francisco J.; Toscano, Ruben Alfredo |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 506 |
Pages of publication | 119531 |
a | 38.635 ± 0.002 Å |
b | 7.5167 ± 0.0004 Å |
c | 11.6786 ± 0.0006 Å |
α | 90° |
β | 104.075 ± 0.002° |
γ | 90° |
Cell volume | 3289.7 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0477 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0559 |
Weighted residual factors for all reflections included in the refinement | 0.0596 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
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/1564969.html
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