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Information card for entry 4313312
Preview
| Coordinates | 4313312.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44.5 H93 Cl F12 N4 O4 P4 Re6 Sb2 Se8 |
|---|---|
| Calculated formula | C36 H72 F9 N4 O2 P4 Re6 Sb1.5 Se8 |
| Title of publication | Hydrogen-Bonded Extended Arrays of the [Re~6~(μ~3~-Se)~8~]^2+^ Core-Containing Clusters |
| Authors of publication | Hugh D. Selby; Bryan K. Roland; Michael D. Carducci; Zhiping Zheng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 1656 - 1662 |
| a | 15.515 ± 0.002 Å |
| b | 15.736 ± 0.002 Å |
| c | 19.451 ± 0.003 Å |
| α | 75.958 ± 0.002° |
| β | 69.934 ± 0.002° |
| γ | 60.681 ± 0.002° |
| Cell volume | 3873 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 10 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.829 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192777 (current) | 2017-03-02 | cod/ Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the 'cod-tools' repository (rev. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
4313312.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4313312.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313312.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313312.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4313312.cif |
| 6381 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313312 via cif-deposit CGI script. |
4313312.cif |
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Users of the data should acknowledge the original authors of the
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