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Information card for entry 1547751
Preview
Coordinates | 1547751.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H54 F6 Fe N O8 P |
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Calculated formula | C43 H54 F6 Fe N O8 P |
SMILES | [Fe]12345678([c]9(C[NH2+]Cc%10ccc(cc%10)C)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51.O1c2ccccc2OCCOCCOCCOc2c(OCCOCCOCC1)cccc2.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Rapid and reversible photoinduced switching of a rotaxane crystal |
Authors of publication | Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie |
Journal of publication | Nature Communications |
Year of publication | 2016 |
Journal volume | 7 |
Pages of publication | 13321 |
a | 10.3662 ± 0.0012 Å |
b | 11.2263 ± 0.0015 Å |
c | 19.458 ± 0.002 Å |
α | 87.294 ± 0.004° |
β | 80.055 ± 0.005° |
γ | 88.745 ± 0.004° |
Cell volume | 2227.7 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1418 |
Residual factor for significantly intense reflections | 0.0661 |
Weighted residual factors for significantly intense reflections | 0.1848 |
Weighted residual factors for all reflections included in the refinement | 0.2432 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.968 |
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/1547751.html
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