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Information card for entry 7100212
Preview
| Coordinates | 7100212.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Dianin Morpholine Clathrate |
|---|---|
| Formula | C58 H69 N O7 |
| Calculated formula | C58 H69 N O7 |
| SMILES | O1C(C)(CC(c2ccccc12)(c1ccc(O)cc1)C)C.Oc1ccc(C2(CC(Oc3c2cccc3)(C)C)C)cc1.O1CC[NH2+]CC1.[O-]c1ccc(cc1)C1(c2ccccc2OC(C)(C1)C)C |
| Title of publication | New approach to sulfonated diphosphines: synthesis and amphoteric behaviour of the zwitterionic complex [Mn+(CO)4{(PPh2)2C(H)SO3-}] |
| Authors of publication | Javier Ruiz; Mario Ceroni; Santiago Garcia-Granda; Marta Gonzalo; F.van der Maelen; M. Vivanco |
| Journal of publication | Chemical Communications |
| Year of publication | 2005 |
| a | 11.0956 ± 0.0008 Å |
| b | 16.0377 ± 0.0011 Å |
| c | 26.6878 ± 0.0019 Å |
| α | 89.935 ± 0.002° |
| β | 89.931 ± 0.001° |
| γ | 77.387 ± 0.001° |
| Cell volume | 4634.4 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7100212.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
7100212.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
7100212.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7100212.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. |
7100212.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
7100212.cif |
| 14 | 2008-01-13 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
7100212.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
7100212.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
7100212.cif |
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Users of the data should acknowledge the original authors of the
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