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Information card for entry 4086251
Preview
Coordinates | 4086251.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H17 Cl I N3 O |
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Calculated formula | C17 H17 Cl I N3 O |
SMILES | [I-].Clc1ccc(Cn2n[n+](c(COc3ccccc3)c2)C)cc1 |
Title of publication | Phenoxy-Linked Mesoionic Triazol-5-ylidenes as Platforms for Multinuclear Transition Metal Complexes |
Authors of publication | Mendoza-Espinosa, Daniel; González-Olvera, Rodrigo; Negrón-Silva, Guillermo E.; Angeles-Beltrán, Deyanira; Suárez-Castillo, Oscar R.; Álvarez-Hernández, Alejandro; Santillan, Rosa |
Journal of publication | Organometallics |
Year of publication | 2015 |
Journal volume | 34 |
Journal issue | 18 |
Pages of publication | 4529 |
a | 11.7187 ± 0.0005 Å |
b | 18.5843 ± 0.0005 Å |
c | 9.2912 ± 0.0004 Å |
α | 90° |
β | 110.649 ± 0.005° |
γ | 90° |
Cell volume | 1893.48 ± 0.14 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0431 |
Residual factor for significantly intense reflections | 0.0306 |
Weighted residual factors for significantly intense reflections | 0.0664 |
Weighted residual factors for all reflections included in the refinement | 0.0736 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
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/4086251.html
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Users of the data should acknowledge the original authors of the
structural data.