Crystallography Open Database

Information card for entry 7037112

Preview

Coordinates	7037112.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Pentacarbonyl-(ethoxy-thieno[2,3-b]thiophen-2-yl-methylidene)-tungsten
Formula	C14 H8 O6 S2 W
Calculated formula	C14 H8 O6 S2 W
Title of publication	Synthesis and properties of mono- and dimetal Fischer multicarbene complexes derived from thiophene and thieno[2,3-b]thiophene.
Authors of publication	Lamprecht, Zandria; van Jaarsveld, Nina A.; Bezuidenhout, Daniela I.; Liles, David C.; Lotz, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	44
Pages of publication	19218 - 19231
a	16.3613 ± 0.0007 Å
b	26.0082 ± 0.0011 Å
c	7.5595 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3216.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.057
Goodness-of-fit parameter for all reflections included in the refinement	1.351
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7037112.cif
170200	2015-11-07	cif/ Adding structures of 7037112 via cif-deposit CGI script.	7037112.cif