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Information card for entry 7101323
Preview
| Coordinates | 7101323.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 Fe2 N4 O15 P4 |
|---|---|
| Calculated formula | C12 H24 Fe2 N4 O15 P4 |
| Title of publication | The first route to large pore metal phosphonates |
| Authors of publication | Groves, John A.; Miller, Stuart R.; Warrender, Stewart J.; Mellot-Draznieks, Caroline; Lightfoot, Philip; Wright, Paul A. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2006 |
| Journal issue | 31 |
| Pages of publication | 3305 - 3307 |
| a | 8.3081 ± 0.0007 Å |
| b | 9.1647 ± 0.0007 Å |
| c | 9.1839 ± 0.0007 Å |
| α | 62.781 ± 0.001° |
| β | 79.029 ± 0.001° |
| γ | 87.088 ± 0.001° |
| Cell volume | 609.95 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0583 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.123 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.69999 Å |
| Diffraction radiation type | synchrotronradiation |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288000 (current) | 2023-12-04 | cif/7/10/13/ Updated bibliographic information in entries 7101323-7101325. |
7101323.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7101323.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7101323.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7101323.cif |
| 91955 | 2013-12-31 | cod/ (saulius@koala.ibt.lt) Removing '_journal_page_first ?' data items from a bunch of COD CIFs so that the quastion mark does not appear in the COD SQL tables as a page number. |
7101323.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7101323.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. |
7101323.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. |
7101323.cif |
| 271 | 2008-03-15 | Adding CIF files from the Chem-Comm-2006-20_48/ deposion. |
7101323.cif |
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Users of the data should acknowledge the original authors of the
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