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Information card for entry 7051563
Preview
Coordinates | 7051563.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H29 N3 O2 S |
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Calculated formula | C36 H29 N3 O2 S |
Title of publication | 2,2′:6′,2″-Terpyridine-4′(1′H)-thione: a missing link in metallosupramolecular chemistry |
Authors of publication | Constable, Edwin C.; Hermann, B. A.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Scherer, Lukas J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2005 |
Journal volume | 29 |
Journal issue | 11 |
Pages of publication | 1475 |
a | 60.749 ± 0.002 Å |
b | 4.9282 ± 0.0001 Å |
c | 19.1272 ± 0.0007 Å |
α | 90° |
β | 95.986 ± 0.0011° |
γ | 90° |
Cell volume | 5695.1 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
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 | 0.0575 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for all reflections | 0.0376 |
Weighted residual factors for significantly intense reflections | 0.0365 |
Weighted residual factors for all reflections included in the refinement | 0.0365 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7051563.html
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structural data.