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Information card for entry 4318964
Preview
| Coordinates | 4318964.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2, Cd-Fused Square |
|---|---|
| Formula | C287 H400 Cd Cl38 F24 N10 O27 P8 Re12 Sb4 Se16 |
| Calculated formula | C184 H152 Cd F24 N10 O6 P8 Re12 Sb4 Se16 |
| Title of publication | Novel Concentration-Driven Structural Interconversion in Shape-Specific Solids Supported by the Octahedral [Re6(μ3-Se)8]2+ Cluster Core |
| Authors of publication | Hugh D. Selby; Peter Orto; Michael D. Carducci; Zhiping Zheng |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 6175 - 6177 |
| a | 36.949 ± 0.002 Å |
| b | 19.4415 ± 0.0013 Å |
| c | 42.134 ± 0.003 Å |
| α | 90° |
| β | 102.624 ± 0.001° |
| γ | 90° |
| Cell volume | 29535 ± 3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 11 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0703 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4318964.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4318964.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318964.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318964.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' ) & |
4318964.cif |
| 15692 | 2011-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4318964 via cif-deposit CGI script. |
4318964.cif |
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