Crystallography Open Database

Information card for entry 7042925

Preview

Coordinates	7042925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H26 Cl4 Cr2 N4 O4
Calculated formula	C18 H26 Cl4 Cr2 N4 O4
SMILES	c1[n]2c(ccc1)CC[O]1[Cr]2([OH2])(Cl)(Cl)[O]2CCc3cccc[n]3[Cr]12([OH2])(Cl)Cl.C(#N)C.C(#N)C
Title of publication	Magneto-structural correlations in a family of dialkoxo bridged chromium dimers
Authors of publication	Brechin, Euan K.; Fraser, Hector; Nichol, Gary Stephen; Velmurugan, Gunasekaran; Rajaraman, Gopalan
Journal of publication	Dalton Trans.
Year of publication	2017
a	8.2906 ± 0.0003 Å
b	8.5467 ± 0.0003 Å
c	10.1679 ± 0.0004 Å
α	112.4 ± 0.004°
β	101.243 ± 0.003°
γ	102.099 ± 0.003°
Cell volume	620.48 ± 0.05 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0488
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation probe	x-ray
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
196569 (current)	2017-05-09	cif/ Adding structures of 7042922, 7042923, 7042924, 7042925, 7042926, 7042927, 7042928, 7042929 via cif-deposit CGI script.	7042925.cif