Crystallography Open Database

Information card for entry 7058170

Preview

Coordinates	7058170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H15 Fe N5 O4
Calculated formula	C22 H15 Fe N5 O4
Title of publication	Ferrocenylethenyl-substituted oxadiazoles with phenolic and nitro anchors as sensitizers in dye sensitized solar cells
Authors of publication	Singh, Amita; Kociok-Köhn, Gabriele; Trivedi, Manoj; Chauhan, Ratna; Kumar, Abhinav; Gosavi, Suresh W.; Terashima, Chiaki; Fujishima, Akira
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	12
Pages of publication	4745
a	5.9928 ± 0.0003 Å
b	8.561 ± 0.0005 Å
c	37.157 ± 0.003 Å
α	90°
β	91.337 ± 0.005°
γ	90°
Cell volume	1905.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1297
Residual factor for significantly intense reflections	0.0939
Weighted residual factors for significantly intense reflections	0.2041
Weighted residual factors for all reflections included in the refinement	0.228
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224994 (current)	2019-11-08	cif/ Updating files of 7058169, 7058170 Original log message: Adding full bibliography for 7058169--7058170.cif.	7058170.cif
213677	2019-02-16	cif/ Adding structures of 7058169, 7058170 via cif-deposit CGI script.	7058170.cif