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Information card for entry 4508105
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Coordinates | 4508105.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H6 Mg3 O12 |
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Calculated formula | C18 H6 Mg3 O12 |
Title of publication | Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition |
Authors of publication | Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 3825 |
a | 7.7922 ± 0.0002 Å |
b | 7.7932 ± 0.0002 Å |
c | 7.7929 ± 0.0002 Å |
α | 66.135 ± 0.004° |
β | 66.148 ± 0.004° |
γ | 66.148 ± 0.004° |
Cell volume | 379.06 ± 0.02 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 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 | 0.1413 |
Residual factor for significantly intense reflections | 0.0854 |
Weighted residual factors for significantly intense reflections | 0.2111 |
Weighted residual factors for all reflections included in the refinement | 0.2552 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179617 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/81. |
4508105.cif |
87812 | 2013-08-27 | cif/ Adding structures of 4508105 via cif-deposit CGI script. |
4508105.cif |
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Users of the data should acknowledge the original authors of the
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