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Information card for entry 4324898
Preview
| Coordinates | 4324898.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H80 Cd3 Cl6 N10 O5 |
|---|---|
| Calculated formula | C62 H80 Cd3 Cl6 N10 O5 |
| SMILES | c12cc(c3c4c(cc(c3)N(C)C)[O](C)[Cd]35(Cl)([n]24)[N](C1)(Cc1cccc[n]31)Cc1cccc[n]51)OCC(C)C.c12cc(c3c(c(cc(c3)N(C)C)OC)[n]2[Cd]23(Cl)[N](C1)(Cc1cccc[n]21)Cc1cccc[n]31)OCC(C)C.CCOCC.[Cd](Cl)(Cl)([Cl-])[Cl-] |
| Title of publication | Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells |
| Authors of publication | Lin Xue; Guoping Li; Qing Liu; Huanhuan Wang; Chun Liu; Xunlei Ding; Shenggui He; Hua Jiang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 3680 - 3690 |
| a | 14.007 ± 0.003 Å |
| b | 15.161 ± 0.003 Å |
| c | 17.538 ± 0.004 Å |
| α | 92.27 ± 0.03° |
| β | 110.32 ± 0.03° |
| γ | 104.89 ± 0.03° |
| Cell volume | 3341 ± 1.6 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 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 | 0.0818 |
| Residual factor for significantly intense reflections | 0.0557 |
| Weighted residual factors for significantly intense reflections | 0.1397 |
| Weighted residual factors for all reflections included in the refinement | 0.2257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179351 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/48. |
4324898.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324898.cif |
| 43349 | 2012-03-14 | ../uploads/cif-deposit/cod/cif Adding structures of 4324898 via cif-deposit CGI script. |
4324898.cif |
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Users of the data should acknowledge the original authors of the
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