Crystallography Open Database

Information card for entry 7706297

Preview

Coordinates	7706297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 O6 S2 W
Calculated formula	C16 H12 O6 S2 W
SMILES	[W]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	7.4467 ± 0.0004 Å
b	10.7958 ± 0.0005 Å
c	12.3241 ± 0.0006 Å
α	75.914 ± 0.001°
β	75.794 ± 0.002°
γ	70.56 ± 0.001°
Cell volume	891.44 ± 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	0.0226
Residual factor for significantly intense reflections	0.0205
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.0524
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	7706297.cif