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Information card for entry 7039931
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Coordinates | 7039931.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H12 K N O7 |
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Calculated formula | C12 H12 K N O7 |
Title of publication | Structural and spectroscopic insight into the metal binding properties of the o-aminophenol-N,N,O-triacetic acid (APTRA) chelator: implications for design of metal indicators. |
Authors of publication | Brady, Michael; Piombo, Sebastian D.; Hu, Chunhua; Buccella, Daniela |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 31 |
Pages of publication | 12458 - 12464 |
a | 12.6083 ± 0.0007 Å |
b | 12.3265 ± 0.0007 Å |
c | 8.986 ± 0.0005 Å |
α | 90° |
β | 104.506 ± 0.001° |
γ | 90° |
Cell volume | 1352.05 ± 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 | 0.0401 |
Residual factor for significantly intense reflections | 0.0299 |
Weighted residual factors for significantly intense reflections | 0.0692 |
Weighted residual factors for all reflections included in the refinement | 0.0748 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039931.html
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