Crystallography Open Database

Information card for entry 7113419

Preview

Coordinates	7113419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cl6 Cu N8 Re
Calculated formula	C16 H18 Cl6 Cu N8 Re
SMILES	[Re](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].[Cu]1([n]2ccccc2c2[n]1cc[nH]2)([n]1c[nH]cc1)[n]1c[nH]cc1.N#CC
Title of publication	Metamagnetic behaviour in a new Cu(II)Re(IV) chain based on the hexachlororhenate(IV) anion
Authors of publication	Jose Martinez-Lillo; John Kong; Wdeson P. Barros; Juan Faus; Miguel Julve; Euan K. Brechin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5840
a	9.8446 ± 0.0003 Å
b	9.9026 ± 0.0003 Å
c	14.1874 ± 0.0003 Å
α	93.534 ± 0.002°
β	98.603 ± 0.002°
γ	113.704 ± 0.003°
Cell volume	1240.78 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0255
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0588
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180248 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/34.	7113419.cif
115020	2014-06-02	cif/ Adding structures of 7113419 via cif-deposit CGI script.	7113419.cif