Crystallography Open Database

Information card for entry 1551919

1551918 << 1551919 >> 1551920

Preview

Coordinates	1551919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 Be Cl2 N
Calculated formula	C20 H31 Be Cl2 N
SMILES	Cl[Be](=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C)Cl
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	22.883 ± 0.013 Å
b	9.955 ± 0.003 Å
c	28.329 ± 0.009 Å
α	90°
β	105.871 ± 0.018°
γ	90°
Cell volume	6207 ± 4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0672
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
216648 (current)	2019-07-01	cif/ Adding structures of 1551919 via cif-deposit CGI script.	1551919.cif