Crystallography Open Database

Information card for entry 4342073

4342072 << 4342073 >> 4342074

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Coordinates	4342073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 Ca2 N12 S4
Calculated formula	C40 H52 Ca2 N12 S4
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	9.4771 ± 0.0002 Å
b	14.7875 ± 0.0003 Å
c	16.0053 ± 0.0003 Å
α	90°
β	94.129 ± 0.001°
γ	90°
Cell volume	2237.2 ± 0.08 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0783
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

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