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Information card for entry 7007466
Preview
| Coordinates | 7007466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Tetra-aqua-(1,4,7,10-terakis(carbamoylmethyl)-1,7-diaza-4,10- diazoniumcyclodecane)-gadolinium penta-perchlorate trihydrate |
|---|---|
| Chemical name | Tetra-aqua-(1,4,7,10-terakis(carbamoylmethyl)- 1,7-diaza-4,10-diazoniumcyclodecane)-gadolinium penta-perchlorate trihydrate |
| Formula | C16 H48 Cl5 Gd N8 O31 |
| Calculated formula | C16 H48 Cl5 Gd N8 O31 |
| Title of publication | Structural characterisation of a diprotonated ligand lanthanide complex‒a key intermediate in lanthanide ion association and complex dissociation pathways. |
| Authors of publication | Stenson, Philip A.; Thompson, Amber L.; Parker, David |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 27 |
| Pages of publication | 3291 - 3293 |
| a | 11.2765 ± 0.0005 Å |
| b | 18.3391 ± 0.0007 Å |
| c | 19.721 ± 0.0008 Å |
| α | 90° |
| β | 94.044 ± 0.001° |
| γ | 90° |
| Cell volume | 4068.2 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0475 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179778 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/74. |
7007466.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" |
7007466.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007466.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007466.cif |
| 11752 | 2011-02-18 | cif/7/ Redepositing RSC CIFs that were formally processed with an old version of cif_fix_values script. |
7007466.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007466.cif |
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Users of the data should acknowledge the original authors of the
structural data.