Crystallography Open Database

Information card for entry 7704170

Preview

Coordinates	7704170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H34 Be1.5 Cl7 N2
Calculated formula	C14 H34 Be1.5 Cl7 N2
Title of publication	Probing the electronic boundaries between trigonal and tetrahedral coordination at beryllium.
Authors of publication	Buchner, Magnus R.; Müller, Matthias; Spang, Nils
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	23
Pages of publication	7708 - 7712
a	14.0352 ± 0.0002 Å
b	14.0352 ± 0.0002 Å
c	12.0689 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2377.41 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	81
Hermann-Mauguin space group symbol	P -4
Hall space group symbol	P -4
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0835
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
253915 (current)	2020-07-06	cif/ Updating files of 7704167, 7704168, 7704169, 7704170, 7704171, 7704172 Original log message: Adding full bibliography for 7704167--7704172.cif.	7704170.cif
251116	2020-04-24	cif/ Adding structures of 7704167, 7704168, 7704169, 7704170, 7704171, 7704172 via cif-deposit CGI script.	7704170.cif