Crystallography Open Database

Information card for entry 9012334

Preview

Coordinates	9012334.cif
Original paper (by DOI)	HTML
External links	AMCSD; ChemSpider

Structure parameters

Mineral name	Sulfur
Formula	S20
Calculated formula	S20
SMILES	S1SSSSSSSSSSSSSSSSSSS1
Title of publication	Darstellung und kristallstruktur von cyclooktadekaschwefel, S18, und cycloikosaschwefel, S20 Note: structure for S20
Authors of publication	Schmidt, V. M.; Wilhelm, E.; Debaerdemaeker, T.; Hellner, E.; Kutoglu, A.
Journal of publication	Zeitschrift fur Anorganische und Allgemeine Chemie
Year of publication	1974
Journal volume	405
Pages of publication	153 - 162
a	18.58 Å
b	13.181 Å
c	8.6 Å
α	90°
β	90°
γ	90°
Cell volume	2106.17 Å³
Number of distinct elements	1
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291877 (current)	2024-05-16	Inserting missing Z values in most entries in the 9 range	9012334.cif
282067	2023-03-26	cod/ (saulius@tasmanijos-velnias) Adding AMCSD ID to the '_cod_related_entry_' data loop.	9012334.cif
282053	2023-03-24	cod/ (saulius@tasmanijos-velnias) Updating the existing COD records from the recent AMCSD downloads: - Adding AMCSD IDs to those COD records that exacly matched the AMCSD structures (comparing unit cells, space groups, coordinates and measurement conditions) but did not yet have the AMCSD ID; - Adding new mineral names, compound sources, measurement conditions (when those were missing) and other informations from the AMCSD CIFs.	9012334.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.	9012334.cif
120115	2014-07-12	Adding DOIs to range 9 structures.	9012334.cif
85285	2013-05-05	cod/ (saulius@koala.ibt.lt) Removing outdated _amcsd_database_code data items from all series 9 CIFs.	9012334.cif
35913	2012-02-28	cif/9/ Reorganising range 9 into a prefix-directory tree. Range 9 is the last range to be reorganised.	9012334.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.	9012334.cif
1210	2010-06-10	cif/9/ Updating 13213 AMCSD CIFs, taking new data from the AMCSD database and adding the assigned AMCSD numbers.	9012334.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/.	9012334.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.	9012334.cif
903	2009-11-23	cif/ Setting svn:keywords property on those CIFs that did not have them.	9012334.cif
649	2009-04-18	Depositing new CIFs from AMCSD-resynchronisation-2009.03.27/.	9012334.cif