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Information card for entry 7117841
Preview
Coordinates | 7117841.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75.36 H59.36 Cl1.28 N3.36 O8 |
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Calculated formula | C75.36 H59.36 Cl1.28 N3.36 O8 |
Title of publication | Solvent-induced reversible solid-state colour change of an intramolecular charge-transfer complex |
Authors of publication | Ping Li; Josef M. Maier; Jungwun Hwang; Mark D. Smith; Jeanette A. Krause; Brian T. Mullis; Sharon M. S. Strickland; Ken D. Shimizu |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 14809 |
a | 17.132 ± 0.003 Å |
b | 10.4771 ± 0.0016 Å |
c | 17.718 ± 0.003 Å |
α | 90° |
β | 113.969 ± 0.003° |
γ | 90° |
Cell volume | 2906 ± 0.8 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1054 |
Residual factor for significantly intense reflections | 0.0846 |
Weighted residual factors for significantly intense reflections | 0.2333 |
Weighted residual factors for all reflections included in the refinement | 0.2507 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
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/7117841.html
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