Crystallography Open Database

Information card for entry 4341466

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Structure parameters

Formula	C6 N6 O6 Sr3
Calculated formula	C6 N6 O6 Sr3
SMILES	c1([O-])nc([O-])nc([O-])n1.c1([O-])nc([O-])nc([O-])n1.[Sr+2].[Sr+2].[Sr+2]
Title of publication	Synthesis and SHG Properties of Two New Cyanurates: Sr3(O3C3N3)2 (SCY) and Eu3(O3C3N3)2 (ECY).
Authors of publication	Kalmutzki, Markus; Stroebele, Markus; Wackenhut, Frank; Meixner, Alfred; Meyer, Hans-Juergen
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141107143734000
a	11.862 Å
b	11.862 Å
c	12.698 Å
α	90°
β	90°
γ	120°
Cell volume	1547.33 Å³
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.031
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301840 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure.	4341466.cif
211196	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	4341466.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4341466.cif
126664	2014-11-08	cif/ Adding structures of 4341466 via cif-deposit CGI script.	4341466.cif