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Information card for entry 7003488
Preview
| Coordinates | 7003488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C107.5 H119.5 N9.5 Ni3 O12 |
|---|---|
| Calculated formula | C107.5 H119.5 N9.5 Ni3 O12 |
| Title of publication | Synthetic, structural, electrochemical and solvent extraction studies of neutral trinuclear Co(ii), Ni(ii), Cu(ii) and Zn(ii) metallocycles and tetrahedral tetranuclear Fe(iii) species incorporating 1,4-aryl-linked bis-β-diketonato ligands |
| Authors of publication | Clegg, Jack K.; Bray, David J.; Gloe, Kerstin; Gloe, Karsten; Jolliffe, Katrina A.; Lawrance, Geoffrey A.; Lindoy, Leonard F.; Meehan, George V.; Wenzel, Marco |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 10 |
| Pages of publication | 1331 - 1340 |
| a | 8.9493 ± 0.001 Å |
| b | 23.585 ± 0.003 Å |
| c | 26.145 ± 0.003 Å |
| α | 104.688 ± 0.008° |
| β | 93.275 ± 0.008° |
| γ | 98.843 ± 0.007° |
| Cell volume | 5247.9 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1943 |
| Residual factor for significantly intense reflections | 0.0913 |
| Weighted residual factors for significantly intense reflections | 0.2253 |
| Weighted residual factors for all reflections included in the refinement | 0.2723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 192777 (current) | 2017-03-02 | cod/ 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. 5000). The correction was mainly focused on removing misspelt versions of the '_symmetry_Int_Tables' and '_space_group_IT_number' data items. |
7003488.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7003488.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003488.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003488.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003488.cif |
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