Crystallography Open Database

Information card for entry 4346719

Preview

Coordinates	4346719.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H72 Cl N4 Ta
Calculated formula	C36 H72 Cl N4 Ta
SMILES	[Ta](Cl)(N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)(N=C(C(C)(C)C)C(C)(C)C)N=C(C(C)(C)C)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	21.4013 ± 0.0009 Å
b	20.4381 ± 0.0006 Å
c	21.027 ± 0.0007 Å
α	90°
β	119.251 ± 0.002°
γ	90°
Cell volume	8024.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1187
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	0.924
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.	4346719.cif