Crystallography Open Database

Information card for entry 7234992

Preview

Coordinates	7234992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 K2 O2 S4
Calculated formula	C30 H34 K2 O2 S4
Title of publication	The structural diversity of heterocycle-fused potassium cyclopentadienides
Authors of publication	Nifant'ev, Ilya E.; Vinogradov, Alexander A.; Minyaev, Mikhail E.; Komarov, Pavel D.; Lyssenko, Konstantin A.; Birin, Kirill P.; Dyadchenko, Viktor P.; Ivchenko, Pavel V.
Journal of publication	RSC Advances
Year of publication	2019
Journal volume	9
Journal issue	50
Pages of publication	29195
a	8.6879 ± 0.0003 Å
b	15.9969 ± 0.0006 Å
c	11.3681 ± 0.0004 Å
α	90°
β	102.318 ± 0.001°
γ	90°
Cell volume	1543.56 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0615
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
223459 (current)	2019-11-07	cif/ Adding structures of 7234992, 7234993, 7234994, 7234995 via cif-deposit CGI script.	7234992.cif