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Information card for entry 4319558
Preview
| Coordinates | 4319558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28.5 H24 K0.5 N12.5 O S12 W3 |
|---|---|
| Calculated formula | C28.5 H24 K0.5 N12.5 O S12 W3 |
| Title of publication | Adduct of Acetylene at Sulfur in an Oxygen- and Sulfur-Bridged Open Cubane Cluster Complex of Tungsten |
| Authors of publication | Masataka Maeyama; Genta Sakane; Roberta Piertatelli; Ivano Bertini; Takashi Shibahara |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2111 - 2119 |
| a | 14.465 ± 0.005 Å |
| b | 17.353 ± 0.003 Å |
| c | 10.202 ± 0.002 Å |
| α | 90.98 ± 0.01° |
| β | 108.59 ± 0.02° |
| γ | 98.13 ± 0.02° |
| Cell volume | 2397.5 ± 1.1 Å3 |
| Cell temperature | 282.2 K |
| Ambient diffraction temperature | 282.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0351 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0549 |
| Weighted residual factors for all reflections included in the refinement | 0.055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.283 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4319558.cif |
| 134283 | 2015-03-24 | cif/ (antanas@echidna.ibt.lt) Replaced '_reflns_observed_expression', '_atom_type_scat_imag' and '_atom_site_calc_flags' tags with their correct tag counterparts ('_reflns_threshold_expression', '_atom_type_scat_dispersion_imag', '_atom_site_calc_flag'). The following command was used on the CIFs containing the tags: xargs -n1 -I{} sh -c 'cif_correct_tags --r cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst {} | cif_filter -h {} | sponge {}' A total of 124 files were changed. |
4319558.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319558.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319558.cif |
| 16358 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4319558 via cif-deposit CGI script. |
4319558.cif |
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