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Information card for entry 4339833
Preview
| Coordinates | 4339833.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H60 N3 O27 Rh15 |
|---|---|
| Calculated formula | C51 H60 N3 O27 Rh15 |
| Title of publication | Synthesis and electrochemistry of new Rh-centered and conjuncto rhodium carbonyl clusters. X-ray structure of [NEt(4)](3)[Rh(15)(CO)(27)], [NEt(4)](3)[Rh(15)(CO)(25)(MeCN)(2)] x 2MeCN, and [NEt(4)](3)[Rh(17)(CO)(37)]. |
| Authors of publication | Collini, Davide; Biani, Fabrizia Fabrizi De; Fedi, Serena; Femoni, Cristina; Kaswalder, Francesco; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Zanello, Piero |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 19 |
| Pages of publication | 7971 - 7981 |
| a | 16.867 ± 0.002 Å |
| b | 18.898 ± 0.003 Å |
| c | 23.275 ± 0.003 Å |
| α | 88.282 ± 0.002° |
| β | 88.36 ± 0.002° |
| γ | 88.004 ± 0.002° |
| Cell volume | 7408.3 ± 1.8 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1125 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.1868 |
| Weighted residual factors for all reflections included in the refinement | 0.2215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179501 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98. |
4339833.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4339833.cif |
| 117567 | 2014-06-15 | cif/ Adding structures of 4339833, 4339834, 4339835 via cif-deposit CGI script. |
4339833.cif |
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Users of the data should acknowledge the original authors of the
structural data.