Crystallography Open Database

Information card for entry 7209517

7209516 << 7209517 >> 7209518

Preview

Coordinates	7209517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H32 Cu2 O14 S12 Se12
Calculated formula	C38 H24 Cu2 O15 S12 Se12
Title of publication	BETS3[Cu2(C2O4)3](CH3OH)2: an organic‒inorganic hybrid antiferromagnetic metal (BETS = bisethylene(tetraselenfulvalene))
Authors of publication	Zhang, Bin; Zhang, Yan; Wang, Zheming; Gao, Song; Guo, Yanjun; Liu, Fen; Zhu, Daoben
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	18
Pages of publication	3529
a	8.7716 ± 0.0003 Å
b	16.9903 ± 0.0006 Å
c	20.5716 ± 0.0007 Å
α	104.794 ± 0.002°
β	102.209 ± 0.002°
γ	92.243 ± 0.002°
Cell volume	2883.05 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1752
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.191
Goodness-of-fit parameter for all reflections included in the refinement	0.898
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
180426 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/95.	7209517.cif
86009	2013-05-09	cif/ Adding structures of 7209517 via cif-deposit CGI script.	7209517.cif