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Information card for entry 1566007
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1566007.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H58 Co3 N4 O18 |
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Calculated formula | C50 H58 Co3 N4 O18 |
SMILES | c12cc(ccc1C=[N]1[Co]345([N](OCCO1)=Cc1c([O]4[Co]46([O]23)([O]=C(O5)C)[O]2c3cc(ccc3C=[N]3OCCO[N]5=Cc7c([O]4[Co]235([O]=C(O6)C)[OH]C)ccc2ccccc72)OC)ccc2ccccc12)[OH]C)OC.OC.OC |
Title of publication | A unitary fluorescence probe to sense Co2+: Validated by theoretical studies and X-ray crystallography |
Authors of publication | Yao, Guang-Xu; Zhang, Jin-Qiang; Li, Peng; Liu, Hui; Wang, Li; Sun, Yin-Xia; Dong, Wen-Kui |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2022 |
Journal volume | 529 |
Pages of publication | 120642 |
a | 10.7978 ± 0.0005 Å |
b | 11.712 ± 0.0006 Å |
c | 12.4107 ± 0.0006 Å |
α | 105.267 ± 0.003° |
β | 112.786 ± 0.003° |
γ | 103.687 ± 0.003° |
Cell volume | 1290.84 ± 0.13 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0558 |
Residual factor for significantly intense reflections | 0.0398 |
Weighted residual factors for significantly intense reflections | 0.091 |
Weighted residual factors for all reflections included in the refinement | 0.098 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/1566007.html
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Users of the data should acknowledge the original authors of the
structural data.