Crystallography Open Database

Information card for entry 4346720

Preview

Coordinates	4346720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H72 F3 N4 O3 S Ta
Calculated formula	C37 H66 F3 N4 O3 S Ta
Title of publication	Quantifying the Electron Donor and Acceptor Abilities of the Ketimide Ligands in M(N═C(t)Bu2)4 (M = V, Nb, Ta).
Authors of publication	Damon, Peter L.; Liss, Cameron J.; Lewis, Richard A.; Morochnik, Simona; Szpunar, David E.; Telser, Joshua; Hayton, Trevor W.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	20
Pages of publication	10081 - 10095
a	12.1493 ± 0.0006 Å
b	19.4996 ± 0.0011 Å
c	18.1579 ± 0.0009 Å
α	90°
β	93.733 ± 0.002°
γ	90°
Cell volume	4292.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0511
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0666
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
231935 (current)	2019-11-23	cif/ Adding structures of 4346715, 4346716, 4346717, 4346718, 4346719, 4346720, 4346721 via cif-deposit CGI script.	4346720.cif