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Information card for entry 7035974
Preview
Coordinates | 7035974.cif |
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Original paper (by DOI) | HTML |
Formula | C9 H16 N2 Se |
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Calculated formula | C9 H16 N2 Se |
SMILES | [Se]=C1N(C=CN1C(C)C)C(C)C |
Title of publication | Application of the π-accepting ability parameter of N-heterocyclic carbene ligands in iridium complexes for signal amplification by reversible exchange (SABRE). |
Authors of publication | van Weerdenburg, Bram J. A.; Eshuis, Nan; Tessari, Marco; Rutjes, Floris P. J. T.; Feiters, Martin C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 35 |
Pages of publication | 15387 - 15390 |
a | 8.774 ± 0.004 Å |
b | 11.3185 ± 0.0005 Å |
c | 11.3495 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1127.1 ± 0.5 Å3 |
Cell temperature | 208 ± 2 K |
Ambient diffraction temperature | 208 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0409 |
Residual factor for significantly intense reflections | 0.0275 |
Weighted residual factors for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.0542 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7035974.html
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Users of the data should acknowledge the original authors of the
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