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Information card for entry 4308498
Preview
| Coordinates | 4308498.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H18 N2 O9 P2 Zn |
|---|---|
| Calculated formula | C4 H18 N2 O9 P2 Zn |
| Title of publication | New Amine-Templated Zinc Phosphates with a Temperature-Induced Increase of Structural Dimensionality |
| Authors of publication | Torben R. Jensen; Nicolas Gérentes; Josua Jepsen; Rita G. Hazell; Hans J. Jakobsen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 658 - 665 |
| a | 8.215 ± 0.002 Å |
| b | 8.81 ± 0.003 Å |
| c | 8.861 ± 0.003 Å |
| α | 88.001 ± 0.004° |
| β | 89.818 ± 0.005° |
| γ | 89.773 ± 0.005° |
| Cell volume | 640.9 ± 0.3 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 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 | 0.0361 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.09 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193991 (current) | 2017-03-06 | cod/ (antanas@echidna.ibt.lt) Homogenising atom site labels in order to relate data from different loops in entries 4308498, 4505647, 4505648, 4505651, 7213403, 7150263. |
4308498.cif |
| 193981 | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
4308498.cif |
| 179122 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/84. |
4308498.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4308498.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" |
4308498.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308498.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308498.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308498.cif |
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Users of the data should acknowledge the original authors of the
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