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Information card for entry 8102041
Preview
| Coordinates | 8102041.cif |
|---|---|
| External links | PubChem |
| Chemical name | diaqua-bis((E)-4-hydroxy-3-((2-hydroxyethylimino)methyl)-5- (morpholinomethyl)benzenesulfonato)dicopper(II) diperchlorate hexahydrate |
|---|---|
| Formula | C28 H54 Cl2 Cu2 N4 O28 S2 |
| Calculated formula | C28 H54 Cl2 Cu2 N4 O28 S2 |
| Title of publication | Crystal structure of diaqua-bis((E)-4-hydroxy-3-((2-hydroxyethylimino)- methyl)-5-(morpholinomethyl)-benzenesulfonato)dicopper(II) diperchlorate hexahydrate, [Cu~2~(H~2~O)~2~(C~14~H~19~N~2~O~3~SO~3~)~2~][ClO~4~] ~2~ · 6H~2~O |
| Authors of publication | Shi, X.-Y.; Wei, J.-F. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 4 |
| Pages of publication | 445 - 446 |
| a | 8.6496 ± 0.0006 Å |
| b | 9.624 ± 0.0007 Å |
| c | 13.7224 ± 0.0009 Å |
| α | 100.865 ± 0.005° |
| β | 100.956 ± 0.005° |
| γ | 93.997 ± 0.006° |
| Cell volume | 1094.76 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0712 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1642 |
| Weighted residual factors for all reflections included in the refinement | 0.175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102041.cif |
| 210358 | 2018-09-03 | cif/8/ Marking attached hydrogen atoms in entries 8000008, 8000104, 8000110, 8000111, 8100539, 8100572, 8102041. |
8102041.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102041.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102041.cif |
| 108008 | 2014-03-26 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102041.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102041.cif |
| 12780 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102041 via cif-deposit CGI script. |
8102041.cif |
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Users of the data should acknowledge the original authors of the
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