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Information card for entry 4084124
Preview
Coordinates | 4084124.cif |
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Original paper (by DOI) | HTML |
Formula | C13 H17 N4 O4 Re |
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Calculated formula | C13 H17 N4 O4 Re |
SMILES | [Re]1234(N=O)(C#[O])(C(=O)OC)[cH]5[c]1([cH]2[cH]3[cH]45)N=C1N(CCN1C)C |
Title of publication | Guanidine-Functionalized Rhenium Cyclopentadienyl Carbonyl Complexes: Synthesis and Cooperative Activation of H‒H and O‒H Bonds |
Authors of publication | Teets, Thomas S.; Labinger, Jay A.; Bercaw, John E. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 15 |
Pages of publication | 4107 |
a | 8.3732 ± 0.0004 Å |
b | 7.8158 ± 0.0004 Å |
c | 23.0017 ± 0.0011 Å |
α | 90° |
β | 95.791 ± 0.002° |
γ | 90° |
Cell volume | 1497.62 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0235 |
Residual factor for significantly intense reflections | 0.0215 |
Weighted residual factors for significantly intense reflections | 0.0458 |
Weighted residual factors for all reflections included in the refinement | 0.0465 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
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/4084124.html
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