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Information card for entry 7040678
Preview
Coordinates | 7040678.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3-amino-N-(pyridin-2-ylmethyl)-propanamide dihydrate |
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Formula | C9 H16 Cl Cu N3 O3 |
Calculated formula | C9 H16 Cl Cu N3 O3 |
Title of publication | Solution equilibria and the X-ray structure of Cu(ii) complexation with 3-amino-N-(pyridin-2-ylmethyl)propanamide, a pseudo-mimic of human serum albumin. |
Authors of publication | Jackson, Graham E.; Elmagbari, Fatin M.; Hammouda, Ahmed N.; Bonomo, Raffaele P. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 42 |
Pages of publication | 17010 - 17019 |
a | 7.3116 ± 0.0002 Å |
b | 22.407 ± 0.0009 Å |
c | 7.357 ± 0.0002 Å |
α | 90° |
β | 90.08 ± 0.002° |
γ | 90° |
Cell volume | 1205.3 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0386 |
Residual factor for significantly intense reflections | 0.0267 |
Weighted residual factors for significantly intense reflections | 0.0624 |
Weighted residual factors for all reflections included in the refinement | 0.0668 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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