Crystallography Open Database

Information card for entry 7704167

Preview

Coordinates	7704167.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Be2 Cl4 N2
Calculated formula	C12 H30 Be2 Cl4 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	7.0921 ± 0.0014 Å
b	14.229 ± 0.003 Å
c	9.4303 ± 0.0019 Å
α	90°
β	94.57 ± 0.03°
γ	90°
Cell volume	948.6 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0634
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1189
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54186 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.	7704167.cif
251116	2020-04-24	cif/ Adding structures of 7704167, 7704168, 7704169, 7704170, 7704171, 7704172 via cif-deposit CGI script.	7704167.cif