Crystallography Open Database

Information card for entry 4338501

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Coordinates	4338501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H26 Cl4 Hg N8 O3
Calculated formula	C11 H24.66 Cl4 Hg N8 O3
Title of publication	Binding and removal of sulfate, phosphate, arsenate, tetrachloromercurate, and chromate in aqueous solution by means of an activated carbon functionalized with a pyrimidine-based anion receptor (HL). Crystal structures of [H3L(HgCl4)]·H2O and [H3L(HgBr4)]·H2O showing anion-π interactions.
Authors of publication	Arranz, Paloma; Bianchi, Antonio; Cuesta, Rafael; Giorgi, Claudia; Godino, M. Luz; Gutiérrez, M D; López, Rafael; Santiago, Antonio
Journal of publication	Inorganic chemistry
Year of publication	2010
Journal volume	49
Journal issue	20
Pages of publication	9321 - 9332
a	8.058 ± 0.005 Å
b	8.594 ± 0.005 Å
c	16.215 ± 0.005 Å
α	81.915 ± 0.005°
β	81.079 ± 0.005°
γ	81.648 ± 0.005°
Cell volume	1089.5 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0714
Weighted residual factors for all reflections included in the refinement	0.0803
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
179488 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85.	4338501.cif
114482	2014-05-24	cif/ Adding structures of 4338501 via cif-deposit CGI script.	4338501.cif