Crystallography Open Database

Information card for entry 7211042

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Structure parameters

Formula	C6 H10.5 N6 O3 Rb1.5 S6
Calculated formula	C6 H10.5 N6 O3 Rb1.5 S6
Title of publication	Coordination polymers of alkali metal trithiocyanurates: structure determinations and ionic conductivity measurements using single crystals
Authors of publication	Tominaka, Satoshi; Henke, Sebastian; Cheetham, Anthony K.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	45
Pages of publication	9400
a	7.5673 ± 0.0003 Å
b	11.2806 ± 0.0006 Å
c	11.4428 ± 0.0004 Å
α	107.984 ± 0.004°
β	94.103 ± 0.003°
γ	102.469 ± 0.004°
Cell volume	897.06 ± 0.07 Å³
Cell temperature	298.9 ± 0.8 K
Ambient diffraction temperature	298.9 ± 0.8 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.222
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7211042.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7211042.cif
90187	2013-11-17	cif/ Adding structures of 7211038, 7211039, 7211040, 7211041, 7211042, 7211043, 7211044 via cif-deposit CGI script.	7211042.cif