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Information card for entry 4500449
Preview
Coordinates | 4500449.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H26 N2 O17 Sr |
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Calculated formula | C14 H26 N2 O17 Sr |
SMILES | [OH2][Sr]1([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[O]=C(O1)c1ccc(N(=O)=O)cc1.O.O.O=C([O-])c1ccc(N(=O)=O)cc1 |
Title of publication | Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates |
Authors of publication | Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 1318 |
a | 6.6527 ± 0.0006 Å |
b | 11.1343 ± 0.001 Å |
c | 31.494 ± 0.003 Å |
α | 90° |
β | 94.882 ± 0.004° |
γ | 90° |
Cell volume | 2324.4 ± 0.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.1245 |
Residual factor for significantly intense reflections | 0.0541 |
Weighted residual factors for significantly intense reflections | 0.0832 |
Weighted residual factors for all reflections included in the refinement | 0.1063 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
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/4500449.html
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