Crystallography Open Database

Information card for entry 1566118

Preview

Coordinates	1566118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 Br4 Hg2 O4 S2
Calculated formula	C22 H28 Br4 Hg2 O4 S2
SMILES	C[S+](C)[C@H](C(=O)c1ccc(OC)cc1)[Hg]1(Br)[Br][Hg]([C@H](C(=O)c2ccc(OC)cc2)[S+](C)C)(Br)[Br]1
Title of publication	X-ray crystal structure and spectral characterization of pseudo five-coordinate Hg(II) polymeric and four-coordinate binuclear complexes of an ambidentate sulfonium ylide
Authors of publication	Sabounchei, Seyyed Javad; Bagherjeri, Fateme Akhlaghi; Hosseinzadeh, Marjan; Boskovic, Colette; Gable, Robert W.
Journal of publication	Comptes Rendus Chimie
Year of publication	2014
Journal volume	17
Journal issue	12
Pages of publication	1257 - 1263
a	15.594 ± 0.0007 Å
b	7.3471 ± 0.0004 Å
c	15.0885 ± 0.0007 Å
α	90°
β	115.877 ± 0.003°
γ	90°
Cell volume	1555.37 ± 0.14 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.0903
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.2016
Weighted residual factors for all reflections included in the refinement	0.2121
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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
272220 (current)	2022-01-25	cif/ Adding structures of 1566118, 1566119 via cif-deposit CGI script.	1566118.cif