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Information card for entry 4326921
Preview
Coordinates | 4326921.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H56 Cl4 N4 O18 S2 Zn2 |
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Calculated formula | C82 H56 Cl4 N4 O18 S2 Zn2 |
Title of publication | Zinc Paddlewheel Dimers Containing a Strong π...π Stacking Supramolecular Synthon: Designed Single-Crystal to Single-Crystal Phase Changes and Gas/Solid Guest Exchange |
Authors of publication | Daniel L. Reger; Agota Debreczeni; Mark D. Smith |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 11754 - 11764 |
a | 28.332 ± 0.003 Å |
b | 18.5103 ± 0.0017 Å |
c | 14.0046 ± 0.0012 Å |
α | 90° |
β | 92.769 ± 0.002° |
γ | 90° |
Cell volume | 7335.9 ± 1.2 Å3 |
Cell temperature | 250 ± 2 K |
Ambient diffraction temperature | 250 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1394 |
Weighted residual factors for all reflections included in the refinement | 0.1482 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4326921.html
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