Crystallography Open Database

Information card for entry 2311999

2311998 << 2311999 >> 2312000

Preview

Coordinates	2311999.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-tetrakis(2,6-\ dimethylphenyl)squaramidinato(2-)]bis[pentakis(2,6-dimethylphenyl isocyanide)niobium(I)]
Formula	C126 H126 N14 Nb2
Calculated formula	C126 H126 N14 Nb2
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	32.077 ± 0.005 Å
b	15.83 ± 0.002 Å
c	24.815 ± 0.004 Å
α	90°
β	97.655 ± 0.002°
γ	90°
Cell volume	12488 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1024
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1444
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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.	2311999.cif