Crystallography Open Database

Information card for entry 4342075

4342074 << 4342075 >> 4342076

Preview

Coordinates	4342075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 Ba N8 S2
Calculated formula	C26 H40 Ba N8 S2
Title of publication	Tris(pyrazolyl)methanides of the Alkaline Earth Metals: Influence of the Substitution Pattern on Stability and Degradation.
Authors of publication	Müller, Christoph; Koch, Alexander; Görls, Helmar; Krieck, Sven; Westerhausen, Matthias
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	635 - 645
a	17.8451 ± 0.0004 Å
b	9.615 ± 0.0002 Å
c	35.866 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6153.9 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.13
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
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342075.cif
130507	2015-02-04	cif/ Updating files of 4342066, 4342067, 4342068, 4342069, 4342070, 4342071, 4342072, 4342073, 4342074, 4342075 Original log message: Adding full bibliography for 4342066--4342075.cif.	4342075.cif
129787	2015-01-17	cif/ Adding structures of 4342066, 4342067, 4342068, 4342069, 4342070, 4342071, 4342072, 4342073, 4342074, 4342075 via cif-deposit CGI script.	4342075.cif