Crystallography Open Database

Information card for entry 2241288

Preview

Structure parameters

Chemical name	(1<i>S</i>,2<i>S</i>,3<i>S</i>,5<i>R</i>)-(+)-Dichlorido[<i>N</i>-(pyridin-2-ylmethylidene)isopinocampheylamine-κ^2^<i>N</i>,<i>N</i>']mercury(II)
Formula	C16 H22 Cl2 Hg N2
Calculated formula	C16 H22 Cl2 Hg N2
SMILES	[Hg]1(Cl)(Cl)[n]2ccccc2C=[N]1[C@@H]1[C@H]([C@@H]2C[C@H](C1)C2(C)C)C
Title of publication	Crystal structures of three mercury(II) complexes [HgCl~2~<i>L</i>] where <i>L</i> is a bidentate chiral imine ligand
Authors of publication	Hernández, Guadalupe; Bernès, Sylvain; Portillo, Oscar; Ruíz, Alejandro; Moreno, Gloria E.; Gutiérrez, René
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	1462 - 1466
a	10.216 ± 0.003 Å
b	7.392 ± 0.002 Å
c	23.352 ± 0.006 Å
α	90°
β	97.459 ± 0.014°
γ	90°
Cell volume	1748.5 ± 0.8 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1365
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181913 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12.	2241288.cif 2241288.hkl
170170	2015-11-07	cif/ hkl/ Adding structures of 2241286, 2241287, 2241288 via cif-deposit CGI script.	2241288.cif 2241288.hkl