Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 9016166
Preview
| Coordinates | 9016166.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Formula | I2 |
|---|---|
| Calculated formula | I2 |
| SMILES | II |
| Title of publication | The Atomic Arrangement in the Crystal of Orthorhombic Iodine _cod_database_code 1010091 |
| Authors of publication | Harris, P.; Mack, E.; Blake, F. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 1928 |
| Journal volume | 50 |
| Pages of publication | 1583 - 1600 |
| a | 7.255 Å |
| b | 4.795 Å |
| c | 9.78 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 340.224 Å3 |
| Number of distinct elements | 1 |
| Space group number | 64 |
| Hermann-Mauguin space group symbol | C m c e |
| Hall space group symbol | -C 2ac 2 |
| Duplicate of | 1010091 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292100 (current) | 2024-05-29 | Inserting Z values into entries of range 9 that miss it |
9016166.cif |
| 201816 | 2017-10-06 | cod/ Enhancement: marking COD entries that are known to be related to the AMCSD entries using the _cod_related_entry data loop. |
9016166.cif |
| 184280 | 2016-07-07 | cif/9/ Marking 756 entries in range 9* as duplicates of other entries in the COD. All entries, containing '_cod_database_code' in their titles, were copied to a separate MySQL table 'duplicates' for comparison of the rest of their titles against the "original" entries. Formulae, both given by authors and calculated, were not compared, since duplicate entries in range 9* do not contain Z values. Command to compare and mark the duplicates: mysql -u root duplicates9 -p -e 'select A.file, B.file from data as A join duplicates as B on A.file = B.duplicateof and replace(replace(replace(A.title, "~", ""), " ", ""), "$-", "") = replace(B.title, " ", "") where A.duplicateof is null' -N \ | while read -a LINE; \ do \ cat $(cod-locate ${LINE[1]}) <(echo _cod_duplicate_entry ${LINE[0]}) \ | cif_filter -h $(cod-locate ${LINE[1]}) \ | sponge $(cod-locate ${LINE[1]}); \ done |
9016166.cif |
| 120115 | 2014-07-12 | Adding DOIs to range 9 structures. | 9016166.cif |
| 86000 | 2013-05-09 | cif/ (saulius@koala.ibt.lt) Adding new mineral structures from AMCSD. |
9016166.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.