Crystallography Open Database

Information card for entry 2311797

Preview

Coordinates	2311797.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	3
Formula	C10 H11 Hg I2 N O2
Calculated formula	C10 H11 Hg I2 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	7.0546 ± 0.0014 Å
b	14.2685 ± 0.0016 Å
c	27.4248 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2760.5 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0555
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.094
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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.	2311797.cif