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Information card for entry 1536876
Preview
Coordinates | 1536876.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H50 N2 O4 Zn |
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Calculated formula | C38 H50 N2 O4 Zn |
SMILES | [Zn]12(Oc3c(O1)cc(cc3C(C)(C)C)C(C)(C)C)(Oc1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)([n]1ccccc1)[n]1ccccc1 |
Title of publication | Redox-promoted associative assembly of metal‒organic materials |
Authors of publication | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 1 |
Pages of publication | 707 |
a | 10.671 ± 0.005 Å |
b | 19.665 ± 0.009 Å |
c | 17.723 ± 0.008 Å |
α | 90° |
β | 97.137 ± 0.007° |
γ | 90° |
Cell volume | 3690 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.2969 |
Residual factor for significantly intense reflections | 0.1078 |
Weighted residual factors for significantly intense reflections | 0.1372 |
Weighted residual factors for all reflections included in the refinement | 0.1933 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
175918 (current) | 2016-02-04 | cif/ Updating files of 1536875, 1536876, 1536877, 1536878, 1536879, 1536880, 1536881, 1536882 Original log message: Adding full bibliography for 1536875--1536882.cif. |
1536876.cif |
164766 | 2015-10-10 | cif/ Adding structures of 1536875, 1536876, 1536877, 1536878, 1536879, 1536880, 1536881, 1536882 via cif-deposit CGI script. |
1536876.cif |
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Users of the data should acknowledge the original authors of the
structural data.