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Information card for entry 1507987
Preview
| Coordinates | 1507987.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H126 P Si4 W Y4 |
|---|---|
| Calculated formula | C64 H126 P Si4 W Y4 |
| Title of publication | Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals. |
| Authors of publication | Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin |
| Journal of publication | Nature chemistry |
| Year of publication | 2011 |
| Journal volume | 3 |
| Journal issue | 10 |
| Pages of publication | 814 - 820 |
| a | 13.4105 ± 0.0012 Å |
| b | 14.0678 ± 0.0012 Å |
| c | 22.368 ± 0.002 Å |
| α | 95.1377 ± 0.001° |
| β | 92.0563 ± 0.001° |
| γ | 118.155 ± 0.001° |
| Cell volume | 3690.9 ± 0.6 Å3 |
| Cell temperature | 20 ± 2 K |
| Ambient diffraction temperature | 20 ± 2 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 all reflections | 0.1651 |
| Residual factor for significantly intense reflections | 0.1032 |
| Weighted residual factors for significantly intense reflections | 0.2389 |
| Weighted residual factors for all reflections included in the refinement | 0.2852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | neutron |
| Diffraction radiation wavelength | 1.248 Å |
| Diffraction radiation type | neutron |
| 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. |
1507987.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507987.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. |
1507987.cif |
| 62533 | 2012-07-09 | cif/ Adding structures of 1507987 via cif-deposit CGI script. |
1507987.cif |
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Users of the data should acknowledge the original authors of the
structural data.