Crystallography Open Database

Information card for entry 4346717

Preview

Coordinates	4346717.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Cl4 N2 Ta
Calculated formula	C6 H16 Cl4 N2 Ta
SMILES	[Ta]1(Cl)(Cl)(Cl)(Cl)[N](CC[N]1(C)C)(C)C
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	14.503 ± 0.003 Å
b	7.4837 ± 0.0014 Å
c	11.782 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1278.8 ± 0.4 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0573
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	0.822
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.	4346717.cif