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Information card for entry 7017300
Preview
Coordinates | 7017300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H50 Cl2 Fe N10 O8 |
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Calculated formula | C72 H50 Cl2 Fe N10 O8 |
SMILES | [n]12ccccc1c1[n]3[Fe]452([n]2ccccc2c2[n]4c(cc(c4ccc(c6[nH]c(c7ccccc7)c(n6)c6ccccc6)cc4)c2)c2[n]5cccc2)[n]2c(c3cc(c3ccc(c4[nH]c(c5ccccc5)c(n4)c4ccccc4)cc3)c1)cccc2.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
Title of publication | A terpyridyl-imidazole (tpy-HImzPh(3)) based bifunctional receptor for multichannel detection of Fe(2+) and F(-) ions. |
Authors of publication | Bhaumik, Chanchal; Das, Shyamal; Maity, Dinesh; Baitalik, Sujoy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 44 |
Pages of publication | 11795 - 11808 |
a | 23.5948 ± 0.0016 Å |
b | 36.253 ± 0.003 Å |
c | 38.053 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 32550 ± 4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 70 |
Hermann-Mauguin space group symbol | F d d d :2 |
Hall space group symbol | -F 2uv 2vw |
Residual factor for all reflections | 0.1048 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.2009 |
Weighted residual factors for all reflections included in the refinement | 0.2247 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7017300.html
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Users of the data should acknowledge the original authors of the
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