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Information card for entry 2312572
Preview
Coordinates | 2312572.cif |
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Structure factors | 2312572.hkl |
Original IUCr paper | HTML |
Chemical name | Tetraaquabis(3-carboxypropionato)zinc(II) |
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Formula | C8 H14 O12 Zn |
Calculated formula | C8 H14 O12 Zn |
Title of publication | Further evaluation of the shape of atomic Hirshfeld surfaces: M...H contacts and homoatomic bonds. |
Authors of publication | Pinto, Camila B.; Dos Santos, Leonardo H. R.; Rodrigues, Bernardo L. |
Journal of publication | Acta crystallographica. Section C, Structural chemistry |
Year of publication | 2024 |
Journal volume | 80 |
Journal issue | 9 |
a | 5.2307 ± 0.0002 Å |
b | 7.3259 ± 0.0003 Å |
c | 9.2246 ± 0.0003 Å |
α | 108.753 ± 0.003° |
β | 104.626 ± 0.003° |
γ | 93.202 ± 0.003° |
Cell volume | 320.23 ± 0.02 Å3 |
Cell temperature | 298.15 K |
Ambient diffraction temperature | 298.15 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0205 |
Residual factor for significantly intense reflections | 0.019 |
Weighted residual factors for significantly intense reflections | 0.0445 |
Weighted residual factors for all reflections included in the refinement | 0.0454 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.2217 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
294066 (current) | 2024-08-09 | cif/ hkl/ Adding structures of 2312569, 2312570, 2312571, 2312572 via cif-deposit CGI script. |
2312572.cif 2312572.hkl |
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Users of the data should acknowledge the original authors of the
structural data.