Crystallography Open Database

Information card for entry 2311798

Preview

Coordinates	2311798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H80 Al2 Br8 Cl4 Hg4 N6 O17
Calculated formula	C84 H80 Al2 Br8 Cl4 Hg4 N6 O17
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	16.7982 ± 0.0018 Å
b	24.3995 ± 0.0019 Å
c	13.9346 ± 0.0015 Å
α	90°
β	107.435 ± 0.004°
γ	90°
Cell volume	5448.9 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.1302
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1863
Weighted residual factors for all reflections included in the refinement	0.2034
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	2311798.cif