Crystallography Open Database

Information card for entry 1551920

1551919 << 1551920 >> 1551921

Preview

Coordinates	1551920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 Be Cl2 N
Calculated formula	C23 H35 Be Cl2 N
SMILES	[Be](Cl)(Cl)=C1C2(CC(N1c1c(cccc1C(C)C)C(C)C)(C)C)CCCCC2
Title of publication	Neutral zero-valent s-block complexes with strong multiple bonding
Authors of publication	Merle Arrowsmith; Holger Braunschweig; Mehmet Ali Celik; Theresa Dellermann; Rian D. Dewhurst; William C. Ewing; Kai Hammond; Thomas Kramer; Ivo Krummenacher; Jan Mies; Krzysztof Radacki; Julia K. Schuster
Journal of publication	Nature Chemistry
Year of publication	2016
Journal volume	8
Pages of publication	890 - 894
a	20.214 ± 0.006 Å
b	9.634 ± 0.004 Å
c	23.524 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	4581 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0424
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0885
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216649 (current)	2019-07-01	cif/ Adding structures of 1551920 via cif-deposit CGI script.	1551920.cif