Crystallography Open Database

Information card for entry 7207486

7207485 << 7207486 >> 7207487

Preview

Coordinates	7207486.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	chloroform methylethylketone co-crystal
Chemical name	trichloromethane butanone-2 clathrate (2:1)
Formula	C6 H10 Cl6 O
Calculated formula	C6 H10 Cl6 O
Title of publication	Low melting molecular complexes. The structures of molecular complexes of tri- and di-chloromethanes with small ketones and 1,4-dioxane
Authors of publication	Yufit, D. S.; Howard, J. A. K.
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	6
Pages of publication	2003
a	6.054 ± 0.002 Å
b	6.965 ± 0.003 Å
c	16.346 ± 0.006 Å
α	90°
β	95.86 ± 0.03°
γ	90°
Cell volume	685.6 ± 0.5 Å³
Cell temperature	165 ± 0.2 K
Ambient diffraction temperature	165 ± 0.2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1068
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1044
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	0.957
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MOKα
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180405 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/74.	7207486.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207486.cif
37654	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 7207483, 7207484, 7207485, 7207486, 7207487, 7207488, 7207489, 7207490, 7207491 via cif-deposit CGI script.	7207486.cif