Crystallography Open Database

Information card for entry 7207490

7207489 << 7207490 >> 7207491

Preview

Coordinates	7207490.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	chloroform dioxane co-crystal
Chemical name	trichloromethane 1,4-dioxane (2:1)
Formula	C3 H5 Cl3 O
Calculated formula	C3 H5 Cl3 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	5.9481 ± 0.0005 Å
b	9.3502 ± 0.0008 Å
c	12.1479 ± 0.0011 Å
α	90°
β	100.93 ± 0.02°
γ	90°
Cell volume	663.36 ± 0.11 Å³
Cell temperature	200 ± 0.2 K
Ambient diffraction temperature	200 ± 0.2 K
Number of distinct elements	4
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	0.0422
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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	No
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.	7207490.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207490.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.	7207490.cif