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Information card for entry 7015590
Preview
| Coordinates | 7015590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Cl4 N18 Zn5 |
|---|---|
| Calculated formula | C12 H12 Cl4 N18 Zn5 |
| SMILES | c1n2[n]3[Zn]4567n8[n]9cc[n]8[Zn]8([n]%10cc[n](n5%10)[Zn]([n]5ccn([n]75)[Zn]9([n]5cc[n](n45)[Zn]2(n2cc[n]8[n]62)Cl)Cl)([n]3c1)Cl)Cl |
| Title of publication | Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states. |
| Authors of publication | Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 22 |
| Pages of publication | 5926 - 5938 |
| a | 14.937 ± 0.003 Å |
| b | 14.937 ± 0.003 Å |
| c | 12.059 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2690.5 ± 1 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0225 |
| Weighted residual factors for significantly intense reflections | 0.0477 |
| Weighted residual factors for all reflections included in the refinement | 0.0495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179859 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55. |
7015590.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7015590.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7015590.cif |
| 21197 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7015589, 7015590 via cif-deposit CGI script. |
7015590.cif |
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