Crystallography Open Database

Information card for entry 2311795

Preview

Coordinates	2311795.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2a
Formula	C10 H11 Br2 Hg N O2
Calculated formula	C10 H11 Br2 Hg N O2
Title of publication	3-(Pyridin-4-yl)acetylacetone: a donor ligand towards mercury(II) halides and a versatile linker for complex materials.
Authors of publication	Truong, Khai Nghi; Merkens, Carina; Englert, Ulli
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	981 - 991
a	6.8597 ± 0.0005 Å
b	13.9425 ± 0.001 Å
c	26.7054 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2554.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0419
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0471
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
246108 (current)	2019-12-26	cif/ Adding structures of 2311793, 2311794, 2311795, 2311796, 2311797, 2311798, 2311799 via cif-deposit CGI script.	2311795.cif