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Information card for entry 4312411
Preview
| Coordinates | 4312411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H2.1 N4 Ni O1.05 Rb2 |
|---|---|
| Calculated formula | C4 N4 Ni O1.04925 Rb2 |
| Title of publication | A Solid-State Spectral Effect in Eclipsed Tetracyanonickelates: X-ray Crystal Structure, Polarized Specular Reflectance Spectroscopy, and ZINDO Modeling of Sr[Ni(CN)4].5H2O, Rb2[Ni(CN)4].H2O, and Na2[Ni(CN)4].3H2O |
| Authors of publication | Frank R. Fronczek; Terry J. Delord; Steven F. Watkins; Petia Gueorguieva; George G. Stanley; Annegret S. Zizza; Jeffrey B. Cornelius; Yves A. Mantz; Ronald L. Musselman |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 7026 - 7036 |
| a | 8.602 ± 0.001 Å |
| b | 9.693 ± 0.001 Å |
| c | 12.006 ± 0.002 Å |
| α | 92.621 ± 0.006° |
| β | 94.263 ± 0.006° |
| γ | 111.795 ± 0.01° |
| Cell volume | 924 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4312411.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312411.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312411.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' ) & |
4312411.cif |
| 5424 | 2011-01-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4312411 via cif-deposit CGI script. |
4312411.cif |
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