Crystallography Open Database

Information card for entry 7230487

Preview

Coordinates	7230487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 Fe O2 S2
Calculated formula	C20 H14 Fe O2 S2
Title of publication	Ferrocene-functionalized polyheteroacenes for the use as cathode active material in rechargeable batteries
Authors of publication	Schwartz, Pierre-Olivier; Förtsch, Sebastian; Mena-Osteritz, Elena; Weirather-Köstner, Dagmar; Wachtler, Mario; Bäuerle, Peter
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	26
Pages of publication	14193
a	5.86412 ± 0.0001 Å
b	10.14207 ± 0.00016 Å
c	27.2115 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1618.39 ± 0.04 Å³
Cell temperature	149.95 ± 0.1 K
Ambient diffraction temperature	149.95 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0516
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
207380 (current)	2018-04-17	cif/ Adding structures of 7230487 via cif-deposit CGI script.	7230487.cif