Crystallography Open Database

Information card for entry 7211802

Preview

Coordinates	7211802.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trichloromethane
Chemical name	trichloromethane
Formula	C H Cl3
Calculated formula	C H Cl3
SMILES	C(Cl)(Cl)Cl
Title of publication	Low-melting molecular complexes of chloroform
Authors of publication	Yufit, D. S.; Howard, J. A. K.
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	3
Pages of publication	737
a	7.4422 ± 0.0006 Å
b	9.4578 ± 0.0007 Å
c	5.8025 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	408.42 ± 0.05 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0494
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180449 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/18.	7211802.cif
92394	2014-01-12	cif/ Adding structures of 7211797, 7211798, 7211799, 7211800, 7211801, 7211802 via cif-deposit CGI script.	7211802.cif