Crystallography Open Database

Information card for entry 1515025

Preview

Coordinates	1515025.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-Cl2
Formula	C52 H66 Cl2 Hg N O Sb
Calculated formula	C52 H66 Cl2 Hg N O Sb
SMILES	[Sb](Cl)(c1c2c([Hg]3Cl)cccc2ccc1)(c1ccccc1)(c1c2c3cccc2ccc1)c1ccccc1.C(C[N+](CCCC)(CCCC)CCCC)CC.O1CCCC1
Title of publication	Lewis acid enhancement by juxtaposition with an onium ion: the case of a mercury stibonium complex
Authors of publication	Lin, Tzu-Pin; Nelson, Ryan C.; Wu, Tianpin; Miller, Jeffrey T.; Gabbaï, François P.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	4
Pages of publication	1128
a	11.172 ± 0.003 Å
b	34.082 ± 0.009 Å
c	12.621 ± 0.003 Å
α	90°
β	99.244 ± 0.003°
γ	90°
Cell volume	4743 ± 2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515025.cif
110843	2014-04-20	cif/ Adding structures of 1515025, 1515026, 1515027, 1515028 via cif-deposit CGI script.	1515025.cif