Crystallography Open Database

Information card for entry 2312001

2312000 << 2312001 >> 2312002

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Coordinates	2312001.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Hexakis(2,6-diisopropylphenyl isocyanide)niobium(0)
Formula	C78 H102 N6 Nb
Calculated formula	C78 H102 N6 Nb
Title of publication	Niobium isocyanide complexes, Nb(CNAr)<sub>6</sub>, with Ar = 2,6-dimethylphenyl (Xyl), a diamagnetic dimer containing four reductively coupled isocyanides, and Ar = 2,6-diisopropylphenyl (Dipp), a paramagnetic monomer analogous to the highly unstable hexacarbonylniobium(0).
Authors of publication	Kucera, Benjamin E.; Roberts, Christopher J.; Young, Jr, Victor G; Brennessel, William W.; Ellis, John E.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2019
Journal volume	75
Journal issue	Pt 9
Pages of publication	1259 - 1265
a	15.2582 ± 0.001 Å
b	15.2582 ± 0.001 Å
c	26.7313 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	5389.6 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
246240 (current)	2019-12-27	cif/ Adding structures of 2311999, 2312000, 2312001 via cif-deposit CGI script.	2312001.cif