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Information card for entry 4315352
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| Coordinates | 4315352.cif |
|---|---|
| Structure factors | 4315352.hkl |
| Original paper (by DOI) | HTML |
| Formula | C119 H176 Co2 K3 N9 O35.5 |
|---|---|
| Calculated formula | C119 H176 Co2 K3 N9 O35.5 |
| Title of publication | Cofacial Dicobalt Complex of a Binucleating Hexacarboxamide Cryptand Ligand |
| Authors of publication | Glen E. Alliger; Peter Müller; Christopher C. Cummins; Daniel G. Nocera |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 3697 - 3699 |
| a | 15.076 ± 0.0003 Å |
| b | 17.0426 ± 0.0003 Å |
| c | 29.134 ± 0.0005 Å |
| α | 93.123 ± 0.001° |
| β | 90.335 ± 0.001° |
| γ | 115.403 ± 0.001° |
| Cell volume | 6748.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0801 |
| Residual factor for significantly intense reflections | 0.0691 |
| Weighted residual factors for significantly intense reflections | 0.207 |
| Weighted residual factors for all reflections included in the refinement | 0.2178 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| 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. |
4315352.cif 4315352.hkl |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4315352.cif 4315352.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 4315352.cif 4315352.hkl |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4315352.cif 4315352.hkl |
| 34320 | 2012-02-24 | hkl/ Reorganizing all Fobs directories (.hkl files) into a prefix tree directory. |
4315352.cif 4315352.hkl |
| 32116 | 2012-02-04 | hkl/ Settin the svn:keywords property on the recently deposited .hkl files. |
4315352.cif 4315352.hkl |
| 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' ) & |
4315352.cif 4315352.hkl |
| 11745 | 2011-02-17 | Adding a few structure factor files from Inorg. Chem. 2010 |
4315352.cif 4315352.hkl |
| 8507 | 2011-02-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4315352 via cif-deposit CGI script. |
4315352.cif |
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Users of the data should acknowledge the original authors of the
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