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Information card for entry 4317381
Preview
| Coordinates | 4317381.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H24 F15 Ho O3 S3 |
|---|---|
| Calculated formula | C30 H24 F15 Ho O3 S3 |
| SMILES | [Ho]1(Sc2c(c(c(c(c2F)F)F)F)[F]1)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1 |
| Title of publication | Trivalent Lanthanide Compounds with Fluorinated Thiolate Ligands: Ln-F Dative Interactions Vary with Ln and Solvent |
| Authors of publication | Jonathan H. Melman; Christa Rohde; Thomas J. Emge; John G. Brennan |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 28 - 33 |
| a | 12.004 ± 0.005 Å |
| b | 22.247 ± 0.011 Å |
| c | 12.697 ± 0.004 Å |
| α | 90 ± 0.03° |
| β | 97.71 ± 0.03° |
| γ | 90 ± 0.04° |
| Cell volume | 3360 ± 2 Å3 |
| Cell temperature | 153 ± 5 K |
| Ambient diffraction temperature | 153 ± 5 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0235 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179253 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/73. |
4317381.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317381.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317381.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' ) & |
4317381.cif |
| 11860 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4317381 via cif-deposit CGI script. |
4317381.cif |
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