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Information card for entry 4300152
Preview
| Coordinates | 4300152.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H60 N3 P6 S6 Y |
|---|---|
| Calculated formula | C72 H60 N3 P6 S6 Y |
| SMILES | c1ccccc1P1(=[N]2[Y]3456([N](P(c7ccccc7)(c7ccccc7)=[S]3)=P(c3ccccc3)(c3ccccc3)S5)([N](=P(c3ccccc3)(c3ccccc3)S4)P(c3ccccc3)(c3ccccc3)=[S]6)(S1)[S]=P2(c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Soluble Yttrium Chalcogenides: Syntheses, Structures, and NMR Properties of Y[η3-N(SPPh2)2]3 and Y[η2-N(SePPh2)2]2[η3-N(SePPh2)2] |
| Authors of publication | Christopher G. Pernin; James A. Ibers |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 1222 - 1226 |
| a | 14.927 ± 0.005 Å |
| b | 14.927 ± 0.005 Å |
| c | 56.047 ± 0.013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 10815 ± 6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0797 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.938 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179039 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/01. |
4300152.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300152.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300152.cif |
| 19562 | 2011-05-20 | cif/4 Updating CIFs and SQL entries with data downloaded from Issue 6 of Inorg. Chem. 2000 |
4300152.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4300152.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4300152.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4300152.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300152.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4300152.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4300152.cif |
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Users of the data should acknowledge the original authors of the
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