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Information card for entry 7032950
Preview
| Coordinates | 7032950.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C192 H220 Cr Er F18 N50 O18 S6 |
|---|---|
| Calculated formula | C108 H90 Cr Er N24 |
| SMILES | c12ccccc1n(c1c3[n]4c(ccc3)c3[n]5c6c(n3C)ccc(c6)Cc3ccc6n(c7[n](c6c3)[Cr]368([n]9c7ccc(c9)C)[n]7c(n(c9ccc(Cc%10ccc%11n(c%12[n]([Er]%13%14%1545([n]21)([n]1c2ccccc2n(c1c1[n]%13c%12ccc1)C)[n]1c2ccccc2n(c1c1[n]%14c(ccc1)c1[n]%15c2c(n1C)ccc(c2)Cc1ccc2n(c([n]3c2c1)c1[n]8cc(cc1)C)C)C)c%11c%10)C)cc79)C)c1[n]6cc(cc1)C)C)C |
| Title of publication | Smaller than a nanoparticle with the design of discrete polynuclear molecular complexes displaying near-infrared to visible upconversion. |
| Authors of publication | Zare, Davood; Suffren, Yan; Guénée, Laure; Eliseeva, Svetlana V.; Nozary, Homayoun; Aboshyan-Sorgho, Lilit; Petoud, Stéphane; Hauser, Andreas; Piguet, Claude |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 6 |
| Pages of publication | 2529 - 2540 |
| a | 26.4289 ± 0.0003 Å |
| b | 26.4289 ± 0.0003 Å |
| c | 36.9113 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 22327.9 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 162 |
| Hermann-Mauguin space group symbol | P -3 1 m |
| Hall space group symbol | -P 3 2 |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.1248 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.8231 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180035 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29. |
7032950.cif |
| 133357 | 2015-03-06 | cif/ Updating files of 7032949, 7032950 Original log message: Adding full bibliography for 7032949--7032950.cif. |
7032950.cif |
| 126075 | 2014-10-31 | cif/ Adding structures of 7032949, 7032950 via cif-deposit CGI script. |
7032950.cif |
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