Crystallography Open Database

Information card for entry 4346718

Preview

Coordinates	4346718.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H48 Cl12 N4 Ta3
Calculated formula	C26 H48 Cl12 N4 Ta3
SMILES	C1[N](C)(C)[Ta]2(Cl)([N](C)(C1)C)(Cl)[Cl][Ta]1([N](C)(CC[N]1(C)C)C)(Cl)([Cl]2)Cl.Cc1ccccc1.Cl[Ta](Cl)(Cl)(Cl)([Cl-])[Cl-].Cc1ccccc1
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	9.9737 ± 0.0006 Å
b	12.9792 ± 0.0009 Å
c	16.3112 ± 0.0009 Å
α	90°
β	101.266 ± 0.004°
γ	90°
Cell volume	2070.8 ± 0.2 Å³
Cell temperature	116 ± 2 K
Ambient diffraction temperature	116 ± 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	0.0408
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	0.979
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.	4346718.cif