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Information card for entry 4317683
Preview
| Coordinates | 4317683.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H28 N O5 Sb |
|---|---|
| Calculated formula | C10 H28 N O5 Sb |
| SMILES | [Sb](OCC)(OCC)(OCC)(OCC)(OCC)[NH3] |
| Title of publication | Structures of Sb(OC6H3Me2-2,6)3 and Sb(OEt)5.NH3: The First Authenticated Monomeric Sb(OR)n (n= 3, 5) |
| Authors of publication | Graeme A. Horley; Mary F. Mahon; Kieran C. Molloy; Monica M. Venter; Peter W. Haycock; Christopher P. Myers |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 1652 - 1657 |
| a | 7.722 ± 0.0001 Å |
| b | 19.07 ± 0.0002 Å |
| c | 21.68 ± 0.0003 Å |
| α | 90° |
| β | 93.496 ± 0.0007° |
| γ | 90° |
| Cell volume | 3186.62 ± 0.07 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0495 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.1245 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4317683.cif |
| 179256 | 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 4/31/76. |
4317683.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4317683.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4317683.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' ) & |
4317683.cif |
| 13961 | 2011-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4317683 via cif-deposit CGI script. |
4317683.cif |
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