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Information card for entry 4318250
Preview
| Coordinates | 4318250.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H97 N4 Ni2 O2.5 P4 |
|---|---|
| Calculated formula | C54 H96 N4 Ni2 O2.5 P4 |
| Title of publication | Metal-Metal Interactions in Dinuclear d8 Metal Cyanide Complexes Supported by Phosphine Ligands. Spectroscopic Properties and ab Initio Calculations of [M2(μ-diphosphine)2(CN)4] and trans-[M(phosphine)2(CN)2] (M = Pt, Ni) |
| Authors of publication | Bao-Hui Xia; Chi-Ming Che; David Lee Phillips; King-Hung Leung; Kung-Kai Cheung |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Pages of publication | 3866 - 3875 |
| a | 17.999 ± 0.003 Å |
| b | 14.513 ± 0.003 Å |
| c | 23.895 ± 0.001 Å |
| α | 90° |
| β | 99.298 ± 0.007° |
| γ | 90° |
| Cell volume | 6159.8 ± 1.7 Å3 |
| Cell temperature | 301.2 K |
| Ambient diffraction temperature | 301.2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/a 1 |
| Hall space group symbol | -P 2ya |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Goodness-of-fit parameter for significantly intense reflections | 2.19 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKalpha |
| 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. |
4318250.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4318250.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4318250.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' ) & |
4318250.cif |
| 14629 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4318250 via cif-deposit CGI script. |
4318250.cif |
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