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Information card for entry 1516538
Preview
| Coordinates | 1516538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H45 As2 Cr3 |
|---|---|
| Calculated formula | C30 H45 As2 Cr3 |
| SMILES | [As]12[Cr]3456([As]([Cr]789%101[c]1([c]%10([c]9([c]8([c]71C)C)C)C)C)[Cr]17892[c]2([c]1([c]7([c]8([c]92C)C)C)C)C)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C |
| Title of publication | Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide |
| Authors of publication | Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | 2443 |
| a | 15.3898 ± 0.0003 Å |
| b | 18.4053 ± 0.0003 Å |
| c | 21.8004 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6175.05 ± 0.19 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0757 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516538.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' |
1516538.cif |
| 116025 | 2014-06-06 | cif/ Adding structures of 1516537, 1516538 via cif-deposit CGI script. |
1516538.cif |
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Users of the data should acknowledge the original authors of the
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