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Information card for entry 1506328
Preview
Coordinates | 1506328.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H20 N7 Re S2 |
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Calculated formula | C15 H20 N7 Re S2 |
SMILES | [Re]123(SCC[N]3(CCS1)C)(N=Nc1ncccc1)[NH]=Nc1[n]2cccc1 |
Title of publication | N,N-Bis(2-mercaptoethyl)methylamine: A New Coligand for Tc-99m Labeling of Hydrazinonicotinamide Peptides |
Authors of publication | Banerjee, Sangeeta R.; Maresca, Kevin P.; Stephenson, Karin A.; Valliant, John F.; Babich, John W.; Graham, Wendy A.; Barzana, Marlene; Dong, Qing; Fischman, Alan J.; Zubieta, Jon |
Journal of publication | Bioconjugate Chemistry |
Year of publication | 2005 |
Journal volume | 16 |
Journal issue | 4 |
Pages of publication | 885 |
a | 8.0008 ± 0.0003 Å |
b | 20.5058 ± 0.0005 Å |
c | 11.6366 ± 0.0004 Å |
α | 90° |
β | 90.958 ± 0.002° |
γ | 90° |
Cell volume | 1908.87 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0878 |
Residual factor for significantly intense reflections | 0.0768 |
Weighted residual factors for all reflections | 0.1368 |
Weighted residual factors for significantly intense reflections | 0.1173 |
Goodness-of-fit parameter for all reflections | 1.097 |
Goodness-of-fit parameter for significantly intense reflections | 1.165 |
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/1506328.html
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