Crystallography Open Database

Information card for entry 2311539

Preview

Coordinates	2311539.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>trans</i>-4,8-Bis(3,5-diisopropylpyrazoly-1-yl)-1,3,5,7-tetraisopropylpyrazabole
Formula	C36 H62 B2 N8
Calculated formula	C36 H62 B2 N8
Title of publication	Formation and structural characterization of a europium(II) mono(scorpionate) complex and a sterically crowded pyraza-bole.
Authors of publication	Liebing, Phil; Kühling, Marcel; Takats, Josef; Hilfert, Liane; Edelmann, Frank T.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 12
Pages of publication	1921 - 1925
a	25.7646 ± 0.0011 Å
b	11.2134 ± 0.0003 Å
c	15.0968 ± 0.0007 Å
α	90°
β	118.792 ± 0.003°
γ	90°
Cell volume	3822.4 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.065
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
245966 (current)	2019-12-25	cif/ Adding structures of 2311538, 2311539 via cif-deposit CGI script.	2311539.cif