Crystallography Open Database

Information card for entry 7234073

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Coordinates	7234073.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate
Chemical name	bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium) dicyano-silver(i) monohydrate
Formula	C22 H18 Ag N2 O S16
Calculated formula	C22 H16 Ag N2 O S16
Title of publication	Quantum spin liquid: design of a quantum spin liquid next to a superconducting state based on a dimer-type ET Mott insulator
Authors of publication	Takaaki Hiramatsu; Yukihiro Yoshida; Gunzi Saito; Akihiro Otsuka; Hideki Yamochi; Mitsuhiko Maesato; Yasuhiro Shimizu; Hiroshi Ito; Hideo Kishida
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	1378 - 1388
a	16.0442 ± 0.001 Å
b	8.6241 ± 0.0006 Å
c	12.5341 ± 0.0008 Å
α	90°
β	109.452 ± 0.001°
γ	90°
Cell volume	1635.31 ± 0.19 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0453
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218728 (current)	2019-09-23	cif/ Adding structures of 7234073 via cif-deposit CGI script.	7234073.cif