Crystallography Open Database

Information card for entry 4342071

4342070 << 4342071 >> 4342072

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Coordinates	4342071.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H72 Ca N12 O2 S6
Calculated formula	C76 H72 Ca N12 O2 S6
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	11.2358 ± 0.0002 Å
b	13.9374 ± 0.0002 Å
c	24.0763 ± 0.0003 Å
α	88.213 ± 0.001°
β	85.537 ± 0.001°
γ	74.003 ± 0.001°
Cell volume	3613.12 ± 0.1 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.2005
Weighted residual factors for all reflections included in the refinement	0.2114
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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