Crystallography Open Database

Information card for entry 7706301

Preview

Coordinates	7706301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.85 H22.85 Cr2 O12 S3
Calculated formula	C30.991 H22.782 Cr2 O12 S3
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	10.7421 ± 0.0013 Å
b	16.0557 ± 0.0018 Å
c	21.988 ± 0.003 Å
α	101.964 ± 0.004°
β	99.888 ± 0.004°
γ	103.629 ± 0.004°
Cell volume	3507.1 ± 0.8 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	0.0939
Residual factor for significantly intense reflections	0.0706
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
260524 (current)	2021-01-05	cif/ Adding structures of 7706296, 7706297, 7706298, 7706299, 7706300, 7706301 via cif-deposit CGI script.	7706301.cif