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Information card for entry 4110965
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| Coordinates | 4110965.cif |
|---|---|
| Structure factors | 4110965.hkl |
| Original paper (by DOI) | HTML |
| Formula | C Cl4 Cu Ga O |
|---|---|
| Calculated formula | C Cl4 Cu Ga O |
| Title of publication | Sorptive Reconstruction of CuMCl4 (M = Al and Ga) upon Small-Molecule Binding and the Competitive Binding of CO and Ethylene |
| Authors of publication | Michael D. Capracotta; Roger M. Sullivan; James D. Martin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 13463 - 13473 |
| a | 6.8769 ± 0.001 Å |
| b | 7.0155 ± 0.0011 Å |
| c | 8.7594 ± 0.0016 Å |
| α | 80.998 ± 0.018° |
| β | 69.454 ± 0.013° |
| γ | 85.731 ± 0.018° |
| Cell volume | 390.75 ± 0.12 Å3 |
| Ambient diffraction temperature | 288 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| RFsqd | 0.39704 |
| Goodness-of-fit parameter for all reflections | 30.81 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.92137 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180700 (current) | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4110965.cif 4110965.hkl |
| 178880 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09. |
4110965.cif 4110965.hkl |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110965.cif 4110965.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. | 4110965.cif 4110965.hkl |
| 60558 | 2012-06-15 | smi Fixing a couple of wrong SMILES that apparently provoked that obgrep get stalled. The newly generated allcod.smi and allcod.fs should work correctly now. |
4110965.cif 4110965.hkl |
| 60164 | 2012-06-14 | cif/ Adding structures of 4110965 via cif-deposit CGI script. |
4110965.cif |
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Users of the data should acknowledge the original authors of the
structural data.