Crystallography Open Database

Information card for entry 7057217

Preview

Coordinates	7057217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H31 F10 O14 Zn3.5
Calculated formula	C43 H31 F10 O14 Zn3.5
Title of publication	Triphenylstibine-substituted Fischer carbene complexes of tungsten(0): synthesis, structure, DFT and electrochemistry
Authors of publication	Landman, Marilé; Jansen van Rensburg, Armand; van Rooyen, Petrus H.; Conradie, Marrigje M.; Conradie, Jeanet
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	9
Pages of publication	7301
a	15.145 ± 0.007 Å
b	14.852 ± 0.007 Å
c	20.147 ± 0.009 Å
α	90°
β	93.234 ± 0.009°
γ	90°
Cell volume	4525 ± 4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2713
Residual factor for significantly intense reflections	0.0642
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.2129
Goodness-of-fit parameter for all reflections included in the refinement	0.749
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
230437 (current)	2019-11-17	cif/ Updating files of 7057216, 7057217, 7057218, 7057219 Original log message: Adding full bibliography for 7057216--7057219.cif.	7057217.cif
207144	2018-03-28	cif/ Adding structures of 7057216, 7057217, 7057218, 7057219 via cif-deposit CGI script.	7057217.cif