Crystallography Open Database

Information card for entry 7211800

Preview

Coordinates	7211800.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	dimethylformamide chloroform clathrate (1:1)
Chemical name	dimethylformamide chloroform clathrate (1:1)
Formula	C4 H8 Cl3 N O
Calculated formula	C4 H8 Cl3 N O
SMILES	ClC(Cl)Cl.N(C=O)(C)C
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	8.284 ± 0.0007 Å
b	8.67 ± 0.0009 Å
c	12.829 ± 0.0015 Å
α	90°
β	107.1 ± 0.03°
γ	90°
Cell volume	880.7 ± 0.2 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1326
Weighted residual factors for all reflections included in the refinement	0.1356
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7211800.cif
92394	2014-01-12	cif/ Adding structures of 7211797, 7211798, 7211799, 7211800, 7211801, 7211802 via cif-deposit CGI script.	7211800.cif