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Information card for entry 7010651
Preview
| Coordinates | 7010651.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H32 Cl2 N6 Ni O8 |
|---|---|
| Calculated formula | C14 H32 Cl2 N6 Ni O8 |
| Title of publication | Structural, spectroscopic and electrochemical studies of nickel(II) “sandwich” complexes with ligands featuring tethered 1,4,7-triazacyclononane macrocycles † |
| Authors of publication | Graham, Bim; Spiccia, Leone; Bond, Alan M.; Hearn, Milton T. W.; Kepert, Christopher M. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 15 |
| Pages of publication | 2232 |
| a | 14.1402 ± 0.0002 Å |
| b | 9.6023 ± 0.0001 Å |
| c | 16.4655 ± 0.0002 Å |
| α | 89° |
| β | 89° |
| γ | 90° |
| Cell volume | 2234.98 ± 0.05 Å3 |
| Cell temperature | 273.2 K |
| Ambient diffraction temperature | 273.2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0424 |
| Goodness-of-fit parameter for significantly intense reflections | 4.091 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7010651.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. |
7010651.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010651.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010651.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
7010651.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010651.cif |
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