Crystallography Open Database

Information card for entry 2311538

Preview

Coordinates	2311538.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(3,5-diisopropyl-1<i>H</i>-pyrazole)[hydrotris(3,5-diisopropylpyrazolyl)borato]iodidoeuropium(II)
Formula	C45 H78 B Eu I N10
Calculated formula	C45 H78 B Eu I N10
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	19.5319 ± 0.0004 Å
b	26.6614 ± 0.0004 Å
c	19.8681 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	10346.3 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	2311538.cif