Crystallography Open Database

Information card for entry 2311799

Preview

Coordinates	2311799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H86 Al2 Cl2 Hg3 I6 N6 O23.18
Calculated formula	C69 H86 Al2 Cl2 Hg3 I6 N6 O23.178
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	32.1651 ± 0.0019 Å
b	13.8294 ± 0.0012 Å
c	27.6145 ± 0.0016 Å
α	90°
β	124.917 ± 0.003°
γ	90°
Cell volume	10072.3 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1724
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
288178 (current)	2023-12-08	cif/ Corrected the misspelt variants of the '_diffrn_radiation_monochromator' data name in multiple entries.	2311799.cif
246108	2019-12-26	cif/ Adding structures of 2311793, 2311794, 2311795, 2311796, 2311797, 2311798, 2311799 via cif-deposit CGI script.	2311799.cif