Crystallography Open Database

Information card for entry 4345040

Preview

Coordinates	4345040.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tetraethylammonium Tricyano[tris(3,5-dimethylpyrazol-1-yl)hydroborate]Titanium(III)
Formula	C26 H42 B N10 Ti
Calculated formula	C26 H42 B N10 Ti
Title of publication	Titanium(III) Member of the Family of Trigonal Building Blocks with Scorpionate and Cyanide Ligands.
Authors of publication	Brown, Andrew; Saber, Mohamed; Van den Heuvel, Willem; Schulte, Kelsey; Soncini, Alessandro; Dunbar, Kim R.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	3
Pages of publication	1031 - 1035
a	11.634 ± 0.002 Å
b	8.1814 ± 0.0016 Å
c	15.62 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1486.7 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0268
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0722
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
193457 (current)	2017-03-04	cif/ Updating files of 4345040 Original log message: Adding full bibliography for 4345040.cif.	4345040.cif
190602	2017-01-18	cif/ Adding structures of 4345040 via cif-deposit CGI script.	4345040.cif