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Information card for entry 2000060
Preview
| Coordinates | 2000060.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 N4 O20 P4 |
|---|---|
| Calculated formula | C8 H24 N4 O20 P4 |
| Title of publication | Structure of glycine cyclo-tetraphosphate |
| Authors of publication | Averbuch-Pouchot, M. T.; Durif, A.; Guitel, J. C. |
| Journal of publication | Acta Crystallographica, Section C: Crystal Structure Communications |
| Year of publication | 1988 |
| Journal volume | 44 |
| Journal issue | 5 |
| Pages of publication | 888 - 890 |
| a | 7.988 ± 0.005 Å |
| b | 8.449 ± 0.005 Å |
| c | 9.739 ± 0.005 Å |
| α | 111.64 ± 0.05° |
| β | 105.27 ± 0.05° |
| γ | 99.4 ± 0.05° |
| Cell volume | 563.986 Å3 |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.025 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199666 (current) | 2017-08-09 | cif/2/00/00/ (antanas@kurmis) Updating bibliography in entries 2000038, 2000039, 2000040, 2000041, 2000042, 2000043, 2000045, 2000046, 2000051, 2000058, 2000060, 2000061, 2000062, 2000063, 2000065, 2000066, 2000069, 2000070, 2000071, 2000072, 2000073, 2000074. |
2000060.cif |
| 192824 | 2017-03-03 | cif/2/00/00/ (antanas@echidna.ibt.lt) Correcting a typo a data item name by changing it from '_cell_depositor_comments' to '_cod_depositor_comments' in entry 2000060. |
2000060.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
2000060.cif |
| 89495 | 2013-10-30 | cif/2/00/00/ (saulius@koala.ibt.lt) Fixing author name syntax in 2000060.cif. |
2000060.cif |
| 89494 | 2013-10-30 | cif/2/00/00/ (saulius@koala.ibt.lt) Fixing representation of the asymmetric unit in 2000060. Removing duplicated atoms: O6A O -0.1306(1) -0.1717(1) -0.1333(1) P2A P 0.13897(4) 0.20515(4) -0.01727(3) P1A P -0.21214(4) -0.06333(4) -0.22473(3) O3A O -0.0719(1) 0.1337(1) -0.1227(1) O4A O 0.1902(2) 0.4017(1) 0.0398(1) O5A O 0.2438(1) 0.1015(1) -0.0988(1) O1A O -0.1959(1) -0.1407(1) -0.3831(1) O2A O -0.3890(1) -0.0444(1) -0.2109(1) Since they are symmetry equivalents of the other provided atoms (therefore, more than one asymmetric unit was originally provided in this CIF). After this change, the calculated and tha declared chemical formulas match. |
2000060.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2000060.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. |
2000060.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/' |
2000060.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
2000060.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. |
2000060.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) |
2000060.cif |
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Users of the data should acknowledge the original authors of the
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