Crystallography Open Database

Information card for entry 1559317

Preview

Coordinates	1559317.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(BDI)NbH(NHtBu)(NtBu)
Chemical name	hydrido-(tert-butyl)amino-(tert-butyl)imino-(N,N?-bis(2,6-diisopropylphenyl)-3,5-dimethyl-B-diketiminato)-niobium(V)
Formula	C37 H61 N4 Nb
Calculated formula	C37 H61 N4 Nb
Title of publication	1,2-Addition and cycloaddition reactions of niobium bis(imido) and oxo imido complexes
Authors of publication	Fostvedt, Jade I.; Grant, Lauren N.; Kriegel, Benjamin M.; Obenhuber, Andreas H.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
Journal of publication	Chemical Science
Year of publication	2020
a	13.322 ± 0.005 Å
b	12.754 ± 0.005 Å
c	21.266 ± 0.005 Å
α	90 ± 0.005°
β	91.766 ± 0.005°
γ	90 ± 0.005°
Cell volume	3612 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0694
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.15
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
258285 (current)	2020-10-10	cif/ Adding structures of 1559314, 1559315, 1559316, 1559317, 1559318, 1559319, 1559320, 1559321, 1559322, 1559323, 1559324, 1559325, 1559326, 1559327, 1559328, 1559329 via cif-deposit CGI script.	1559317.cif