Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 9011267
Preview
| Coordinates | 9011267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Mineral name | Ravatite |
|---|---|
| Formula | C14 H10 |
| Calculated formula | C14 H10 |
| SMILES | c1cccc2c1ccc1ccccc21 |
| Title of publication | Oriental disorder in phenanthrene. Structure determination at 248, 295, 339 and 344 K Locality: synthetic |
| Authors of publication | Petricek, V.; Cisarova, I.; Hummel, L.; Kroupa, J.; Brezina, B. |
| Journal of publication | Acta Crystallographica, Section B |
| Year of publication | 1990 |
| Journal volume | 46 |
| Journal issue | 6 |
| Pages of publication | 830 - 832 |
| a | 8.441 Å |
| b | 6.14 Å |
| c | 9.438 Å |
| α | 90° |
| β | 97.96° |
| γ | 90° |
| Cell volume | 484.437 Å3 |
| Number of distinct elements | 2 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296819 (current) | 2024-12-10 | Added the '_atom_site_type_symbol' data item in entries 9011267, 9014134, 9014419. |
9011267.cif |
| 291792 | 2024-05-09 | Inserting Z values into entries of 9 range, mostly missing. |
9011267.cif |
| 202019 | 2017-10-14 | cif/ Marking COD entries in range 9 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
9011267.cif |
| 188415 | 2016-11-13 | cif/9/01 Updating bibliography for multiple entries in range 9/01. |
9011267.cif |
| 188054 | 2016-11-08 | cif/9 Marking attached hydrogen atoms. |
9011267.cif |
| 85285 | 2013-05-05 | cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs. |
9011267.cif |
| 35913 | 2012-02-28 | cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised. |
9011267.cif |
| 20519 | 2011-06-11 | smi/* and cif/* Adding SMILES for all structures with nel=1 in the mysql entries, supossed to be pure elements. For most of them, just the element symbol remains since SMILES strings and substructure search makes no sense for compact packed structures. Only for molecularly defined substances (for example cyclosulphur moieties) a proper SMILES string has been defined. This does not add too much funcionality to substructure search but flags a large number of structures as "SMILES done". Some of them were found to be not pure elements (carbides, boranes, hydrocarbons) but were added anyway. CIF files and SQL entries have been fixed for these as well as for other with obviously wrong formulas. |
9011267.cif |
| 1210 | 2010-06-10 | cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers. |
9011267.cif |
| 1071 | 2010-04-10 | cif/9/ Updating COD entries from AMCSD, processed in the AMCSD-resynchronisation-2009.06.24/ directory. Entries are updated if they could be unambiguously mapped to a unique COD number by automatic search scripts in AMCSD-resynchronisation-2009.06.24/. |
9011267.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. |
9011267.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
9011267.cif |
| 649 | 2009-04-18 | Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/. |
9011267.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.