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Information card for entry 4513730
Preview
Coordinates | 4513730.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H16 Cl2 Cr O2 |
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Calculated formula | C8 H16 Cl2 Cr O2 |
SMILES | [Cr]([O]1CCCC1)([O]1CCCC1)(Cl)Cl |
Title of publication | Mixed Metal Multinuclear Cr(III) Cage Compounds and Coordination Polymers Based on Unsubstituted Phenolate: Design, Synthesis, Mechanism, and Properties |
Authors of publication | Crochet, Aurélien; Brog, Jean-Pierre; Fromm, Katharina M. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2016 |
Journal volume | 16 |
Journal issue | 1 |
Pages of publication | 189 |
a | 3.9645 ± 0.0002 Å |
b | 7.2398 ± 0.0004 Å |
c | 9.2813 ± 0.0005 Å |
α | 86.918 ± 0.004° |
β | 79.841 ± 0.004° |
γ | 87.105 ± 0.004° |
Cell volume | 261.61 ± 0.02 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.1196 |
Weighted residual factors for all reflections included in the refinement | 0.1213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.344 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
175770 (current) | 2016-02-04 | cif/ Updating files of 4513725, 4513726, 4513727, 4513728, 4513729, 4513730, 4513731 Original log message: Adding full bibliography for 4513725--4513731.cif. |
4513730.cif |
171517 | 2015-12-15 | cif/ Adding structures of 4513730 via cif-deposit CGI script. |
4513730.cif |
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Users of the data should acknowledge the original authors of the
structural data.