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Information card for entry 1505725
Preview
| Coordinates | 1505725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H29 F18 N4 Ni1.5 O11 |
|---|---|
| Calculated formula | C29 H29 F18 N4 Ni1.5 O11 |
| Title of publication | Experimental evidence for the triplet-like spin state appearing in ground-state singlet biradicals as a key feature for generalized ferrimagnetic spin alignment. |
| Authors of publication | Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2006 |
| Journal volume | 110 |
| Journal issue | 5 |
| Pages of publication | 2102 - 2107 |
| a | 8.7852 ± 0.0001 Å |
| b | 14.581 ± 0.0001 Å |
| c | 17.7406 ± 0.0005 Å |
| α | 73.052 ± 0.007° |
| β | 86.854 ± 0.009° |
| γ | 69.249 ± 0.007° |
| Cell volume | 2029.83 ± 0.14 Å3 |
| Cell temperature | 193.1 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 significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505725.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
1505725.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505725.cif |
| 47681 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505725 via cif-deposit CGI script. |
1505725.cif |
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Users of the data should acknowledge the original authors of the
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