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Information card for entry 6000580
Preview
| Coordinates | 6000580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H4 Cu Mo N O4 |
|---|---|
| Calculated formula | C5 H4 Cu0.98 Mo N O4 |
| Title of publication | Ligand influences on copper molybdate networks: The structures and magnetism of [Cu(3,4 '-bpy)MoO4], [Cu(3,3 '-bpy)(0.5)MoO4], and [Cu(4,4 '-bpy)(0.5)MoO4].1.5H(2)O |
| Authors of publication | Randy S. Rarig; Robert Lam; Peter Y. Zavalij; J. Katana Ngala; Robert L. LaDuca,; John E. Greedan; Jon Zubieta |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2002 |
| Journal volume | 41 |
| Journal issue | 8 |
| Pages of publication | 2124 - 2133 |
| a | 5.4397 ± 0.0012 Å |
| b | 6.813 ± 0.0015 Å |
| c | 10.727 ± 0.002 Å |
| α | 73.909 ± 0.004° |
| β | 78.839 ± 0.004° |
| γ | 70.389 ± 0.004° |
| Cell volume | 357.6 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176292 (current) | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000580.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
6000580.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
6000580.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000580.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' ) & |
6000580.cif |
| 14186 | 2011-03-08 | Filling the files 6000579.cif and 6000580.cif, virtually empty, with the data downloaded from Inorg. Chem. |
6000580.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. |
6000580.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000580.cif |
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Users of the data should acknowledge the original authors of the
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