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Information card for entry 1500010
Preview
| Coordinates | 1500010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H18 Co N7 O8 |
|---|---|
| Calculated formula | C4 H18 Co N7 O8 |
| SMILES | [Co]([NH3])(N(=O)=O)(N(=O)=O)([NH3])(N(=O)=O)N(=O)=O.C[N+](C)(C)C |
| Title of publication | Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl |
| Authors of publication | Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós |
| Journal of publication | Journal of Molecular Structure |
| Year of publication | 2006 |
| Journal volume | 784 |
| Pages of publication | 222 - 227 |
| a | 6.1926 ± 0.0007 Å |
| b | 18.248 ± 0.003 Å |
| c | 6.2335 ± 0.0006 Å |
| α | 90° |
| β | 90.078 ± 0.007° |
| γ | 90° |
| Cell volume | 704.41 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0999 |
| Residual factor for significantly intense reflections | 0.0868 |
| Weighted residual factors for significantly intense reflections | 0.2891 |
| Weighted residual factors for all reflections included in the refinement | 0.2981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1500010.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1500010.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1500010.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' ) & |
1500010.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. |
1500010.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
1500010.cif |
| 457 | 2008-10-13 | Depositing files from Acta-Cryst-B-2008_02-04, Acta-Cryst-C-2008_03-08, and personal contributions. |
1500010.cif |
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Users of the data should acknowledge the original authors of the
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