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Information card for entry 4109881
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| Coordinates | 4109881.cif |
|---|---|
| Structure factors | 4109881.hkl |
| Original paper (by DOI) | HTML |
| Formula | Au0.88 H20 K12.5 O80 P2 W18 |
|---|---|
| Calculated formula | Au0.88 H20 K12.5 O80 P2 W18 |
| Title of publication | Terminal Gold-Oxo Complexes |
| Authors of publication | Rui Cao; Travis M. Anderson; Paula M. B. Piccoli; Arthur J. Schultz; Thomas F. Koetzle; Yurii V. Geletii; Elena Slonkina; Britt Hedman; Keith O. Hodgson; Kenneth I. Hardcastle; Xikui Fang; Martin L. Kirk; Sushilla Knottenbelt; Paul Kögerler; Djamaladdin G. Musaev; Keiji Morokuma; Masashi Takahashi; Craig L. Hill |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 11118 - 11133 |
| a | 28.721 ± 0.018 Å |
| b | 31.61 ± 0.04 Å |
| c | 39.159 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 35551 ± 5 Å3 |
| Cell temperature | 30 K |
| Ambient diffraction temperature | 30 K |
| Number of distinct elements | 6 |
| Space group number | 70 |
| Hermann-Mauguin space group symbol | F d d d :2 |
| Hall space group symbol | -F 2uv 2vw |
| Residual factor for all reflections | 0.193 |
| Residual factor for significantly intense reflections | 0.186 |
| Weighted residual factors for all reflections included in the refinement | 0.104 |
| Goodness-of-fit parameter for all reflections | 2.99 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.99 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | neutron,whitebeam |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181928 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/10. |
4109881.cif 4109881.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109881.cif 4109881.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4109881.cif 4109881.hkl |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4109881.cif 4109881.hkl |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109881.cif 4109881.hkl |
| 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. |
4109881.cif 4109881.hkl |
| 59116 | 2012-06-03 | smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif |
4109881.cif 4109881.hkl |
| 58659 | 2012-05-29 | cif/ hkl/ Adding structures of 4109881 via cif-deposit CGI script. |
4109881.cif |
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Users of the data should acknowledge the original authors of the
structural data.