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Information card for entry 1571579
Preview
Coordinates | 1571579.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C124 H156 Fe2 O12.25 |
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Calculated formula | C124 H156 Fe2 O12.246 |
Title of publication | Mechanistic investigations of the Fe(II) mediated synthesis of squaraines |
Authors of publication | Liu, Yu; Coles, Nathan Thomas; Cajiao, Nathalia; Taylor, Laurence John; Davies, Edward Stephen; Barbour, Alistair; Morgan, Patrick; Butler, Kevin; Pointer-Gleadhill, Ben; Argent, Stephen; McMaster, Jonathan; Neidig, Michael L.; Robinson, David; Kays, Deborah Lorraine |
Journal of publication | Chemical Science |
Year of publication | 2024 |
a | 12.9566 ± 0.0002 Å |
b | 13.7268 ± 0.0003 Å |
c | 17.6044 ± 0.0004 Å |
α | 81.108 ± 0.002° |
β | 70.509 ± 0.002° |
γ | 70.199 ± 0.002° |
Cell volume | 2774 ± 0.11 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0539 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1318 |
Weighted residual factors for all reflections included in the refinement | 0.1356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1571579.html
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