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Information card for entry 4319812
Preview
| Coordinates | 4319812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H26 F6 N4 O8 Pt2 S2 |
|---|---|
| Calculated formula | C30 H26 F6 N4 O8 Pt2 S2 |
| SMILES | c1(ccc2ccc3ccc([n]4[Pt]5([n]1c2c34)[OH][Pt]1([n]2c(ccc3ccc4ccc([n]1c4c23)C)C)[OH]5)C)C.O=S(=O)([O-])C(F)(F)F.C(F)(F)(F)S(=O)(=O)[O-] |
| Title of publication | Bowl-Shaped and Highly Inert Bis(μ-hydroxo)platinum(II) Dimer |
| Authors of publication | Ulrich Fekl; Rudi van Eldik; Chris Richardson; Ward T. Robinson |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 3247 - 3251 |
| a | 21.908 ± 0.008 Å |
| b | 8.984 ± 0.003 Å |
| c | 18.31 ± 0.006 Å |
| α | 90° |
| β | 112.902 ± 0.004° |
| γ | 90° |
| Cell volume | 3320 ± 2 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0189 |
| Weighted residual factors for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4319812.cif |
| 179278 | 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 4/31/98. |
4319812.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319812.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319812.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' ) & |
4319812.cif |
| 16617 | 2011-03-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4319812 via cif-deposit CGI script. |
4319812.cif |
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Users of the data should acknowledge the original authors of the
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