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Information card for entry 4116426
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Coordinates | 4116426.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tricarbonylchloro(way)technetium(I) |
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Formula | C23 H26 Cl N4 O4 Tc |
Calculated formula | C23 H26 Cl N4 O4 Tc |
SMILES | [Tc]1(Cl)(C#[O])(C#[O])(C#[O])[n]2ccccc2C=[N]1CCCN1CCN(CC1)c1ccccc1OC |
Title of publication | First Application of fac-[99mTc(OH2)3(CO)3]+ in Bioorganometallic Chemistry: Design, Structure, and in Vitro Affinity of a 5-HT1A Receptor Ligand Labeled with 99mTc |
Authors of publication | Roger Alberto; Roger Schibli; August P. Schubiger; Ulrich Abram; H.-J. Pietzsch; B. Johannsen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1999 |
Journal volume | 121 |
Pages of publication | 6076 - 6077 |
a | 6.919 ± 0.001 Å |
b | 15.315 ± 0.003 Å |
c | 23.727 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2514.2 ± 0.7 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0448 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections included in the refinement | 0.0799 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4116426.html
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