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Information card for entry 7229820
Preview
Coordinates | 7229820.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ca-Phthalate monohydrate |
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Chemical name | Ca-Phthalate monohydrate |
Mineral name | Ca-Phthalate monohydrate |
Formula | C8 H6 Ca O5 |
Calculated formula | C8 H6 Ca O5 |
Title of publication | Hydrated and dehydrated Ca-coordination polymers based on benzene-dicarboxylates: mechanochemical synthesis, structure refinement, and spectroscopic characterization |
Authors of publication | Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Prinz, Carsten; Zimathies, Annett; Emmerling, Franziska; Kemnitz, Erhard |
Journal of publication | CrystEngComm |
Year of publication | 2018 |
Journal volume | 20 |
Journal issue | 7 |
Pages of publication | 946 |
a | 11.2207 ± 0.0003 Å |
b | 6.68473 ± 0.00016 Å |
c | 11.9906 ± 0.0003 Å |
α | 90° |
β | 98.8862 ± 0.0008° |
γ | 90° |
Cell volume | 888.59 ± 0.04 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor R(I) for significantly intense reflections | 1.144 |
Goodness-of-fit parameter for all reflections | 2.19 |
Method of determination | powder diffraction |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54056 Å |
Diffraction radiation type | CuKα~1~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7229820.html
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