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Information card for entry 1570004
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Coordinates | 1570004.cif |
---|---|
Original IUCr paper | HTML |
Formula | C46 H37 N3 O7 S2 Zn |
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Calculated formula | C46 H37 N3 O7 S2 Zn |
Title of publication | Development of a scalar-based geometric parameterization approach for the crystal structure landscape of dithienylethene-based crystalline solids. |
Authors of publication | Mitchell, Travis B.; Zhang, Xiaotong; Jerozal, Ronald T.; Chen, Yu Sheng; Wang, SuYin; Benedict, Jason B. |
Journal of publication | IUCrJ |
Year of publication | 2023 |
Journal volume | 10 |
Journal issue | 6 |
a | 10.262 ± 0.0011 Å |
b | 11.2119 ± 0.0012 Å |
c | 18.905 ± 0.002 Å |
α | 87.543 ± 0.003° |
β | 82.666 ± 0.003° |
γ | 66.797 ± 0.003° |
Cell volume | 1982.8 ± 0.4 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1263 |
Residual factor for significantly intense reflections | 0.0693 |
Weighted residual factors for significantly intense reflections | 0.1156 |
Weighted residual factors for all reflections included in the refinement | 0.135 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1570004.html
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Users of the data should acknowledge the original authors of the
structural data.