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Information card for entry 4107578
Preview
| Coordinates | 4107578.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H100 O Si4 Y4 |
|---|---|
| Calculated formula | C52 H100 O Si4 Y4 |
| Title of publication | Neutron Diffraction Studies on a 4-Coordinate Hydrogen Atom in an Yttrium Cluster |
| Authors of publication | Muhammed Yousufuddin; Matthias J. Gutmann; Jens Baldamus; Olivier Tardif; Zhaomin Hou; Sax A. Mason; Garry J. McIntyre; Robert Bau |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Pages of publication | 3888 - 3891 |
| a | 12.988 ± 0.002 Å |
| b | 13.134 ± 0.002 Å |
| c | 19.626 ± 0.003 Å |
| α | 80.443 ± 0.011° |
| β | 86.673 ± 0.01° |
| γ | 74.379 ± 0.01° |
| Cell volume | 3179.2 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0885 |
| Residual factor for significantly intense reflections | 0.0885 |
| Weighted residual factors for significantly intense reflections | 0.224 |
| Weighted residual factors for all reflections included in the refinement | 0.224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178821 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/75. |
4107578.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107578.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
4107578.cif |
| 55264 | 2012-05-04 | cif/ Adding structures of 4107578 via cif-deposit CGI script. |
4107578.cif |
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Users of the data should acknowledge the original authors of the
structural data.