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Information card for entry 4063346
Preview
| Coordinates | 4063346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 Cl4 Cu2 N8 |
|---|---|
| Calculated formula | C16 H20 Cl4 Cu2 N8 |
| SMILES | c1c[n]2c(n1C)c1n(C)cc[n]1[Cu](Cl)([n]1ccn(C)c1c1n(C)cc[n]1[Cu]2(Cl)Cl)Cl |
| Title of publication | Facile C—N Bond Cleavage Promoted by Cuprous Oxide: Formation of C—C-Coupled Biimidazole from Its Methylene-Bridged Congener |
| Authors of publication | Sabiah, Shahulhameed; Lee, Chen-Shiang; Hwang, Wen-Shu; Lin, Ivan J. B. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 2 |
| Pages of publication | 290 - 293 |
| a | 16.0805 ± 0.0006 Å |
| b | 10.8127 ± 0.0004 Å |
| c | 14.4679 ± 0.0006 Å |
| α | 90° |
| β | 113.338 ± 0.001° |
| γ | 90° |
| Cell volume | 2309.77 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0247 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0762 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218755 (current) | 2019-09-23 | cif/4/06/33/ Updated bibliographic information in entries 4063346-4063348. |
4063346.cif |
| 178528 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/33. |
4063346.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063346.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063346.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' ) & |
4063346.cif |
| 11750 | 2011-02-17 | ../uploads/cif-deposit/cod/cif Adding structures of 4063346, 4063347, 4063348 via cif-deposit CGI script. |
4063346.cif |
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