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Information card for entry 4340642
Preview
| Coordinates | 4340642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H38 Fe2 N12 O5 Pt2 Se2 |
|---|---|
| Calculated formula | C34 H34 Fe2 N12 O5 Pt2 Se2 |
| Title of publication | Thermal- and Light-Induced Spin-Crossover Bistability in a Disrupted Hofmann-Type 3D Framework. |
| Authors of publication | Sciortino, Natasha F.; Neville, Suzanne M.; Létard, Jean-François; Moubaraki, Boujemaa; Murray, Keith S.; Kepert, Cameron J. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 15 |
| Pages of publication | 7886 |
| a | 10.9555 ± 0.0011 Å |
| b | 14.7173 ± 0.0014 Å |
| c | 14.4397 ± 0.0015 Å |
| α | 85.062 ± 0.005° |
| β | 78.378 ± 0.005° |
| γ | 69.983 ± 0.005° |
| Cell volume | 2142.3 ± 0.4 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0686 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179509 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06. |
4340642.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' |
4340642.cif |
| 121109 | 2014-08-04 | cif/ Adding structures of 4340642 via cif-deposit CGI script. |
4340642.cif |
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