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Information card for entry 4086252
Preview
Coordinates | 4086252.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H28 Cl2 I2 N6 O2 |
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Calculated formula | C28 H28 Cl2 I2 N6 O2 |
SMILES | Clc1ccc(cc1)Cn1n[n+](c(c1)COc1cccc(OCc2[n+](nn(c2)Cc2ccc(Cl)cc2)C)c1)C.[I-].[I-] |
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 | 10.6467 ± 0.0002 Å |
b | 11.8508 ± 0.0004 Å |
c | 14.0513 ± 0.0004 Å |
α | 103.966 ± 0.003° |
β | 102.639 ± 0.002° |
γ | 92.436 ± 0.002° |
Cell volume | 1670.26 ± 0.09 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0658 |
Residual factor for significantly intense reflections | 0.0485 |
Weighted residual factors for significantly intense reflections | 0.1305 |
Weighted residual factors for all reflections included in the refinement | 0.1443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
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/4086252.html
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Users of the data should acknowledge the original authors of the
structural data.