Crystallography Open Database

Information card for entry 7707220

Preview

Coordinates	7707220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H64 Be4 Cl N23 S7
Calculated formula	C23 H64 Be4 Cl N23 S7
Title of publication	Ethylenediamine complexes of the beryllium halides and pseudo-halides.
Authors of publication	Buchner, Magnus R.; Müller, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	21
Pages of publication	7246 - 7255
a	13.9529 ± 0.0002 Å
b	14.0186 ± 0.0003 Å
c	48.6062 ± 0.0007 Å
α	90°
β	90.185 ± 0.001°
γ	90°
Cell volume	9507.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0775
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1498
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266105 (current)	2021-06-05	cif/ Updating files of 7707219, 7707220, 7707221, 7707222, 7707223, 7707224, 7707225 Original log message: Adding full bibliography for 7707219--7707225.cif.	7707220.cif
264610	2021-04-28	cif/ Adding structures of 7707219, 7707220, 7707221, 7707222, 7707223, 7707224, 7707225 via cif-deposit CGI script.	7707220.cif