Crystallography Open Database

Information card for entry 7706298

Preview

Coordinates	7706298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cr O6 S2
Calculated formula	C16 H12 Cr O6 S2
SMILES	[Cr]1(C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)c2c(sc3c2scc3)C=1OCC
Title of publication	Chelated Fischer carbene complexes of annulated thiophenes: synthesis, structure and electrochemistry.
Authors of publication	Lamprecht, Zandria; Malan, Frederick P.; Fernández, Israel; Lotz, Simon; Bezuidenhout, Daniela I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	43
Pages of publication	15339 - 15354
a	7.4276 ± 0.0004 Å
b	10.7016 ± 0.0006 Å
c	12.2391 ± 0.0006 Å
α	74.238 ± 0.002°
β	75.469 ± 0.002°
γ	71.41 ± 0.002°
Cell volume	872.91 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0588
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
260524 (current)	2021-01-05	cif/ Adding structures of 7706296, 7706297, 7706298, 7706299, 7706300, 7706301 via cif-deposit CGI script.	7706298.cif